USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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: B 25 ASN : amide:sc= 0.688 K(o=-4,f=-18!) USER MOD Set 1.2: B 29 LYS NZ :NH3+ -139:sc= -4.73! (180deg=-4.14!) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.723 K(o=-4.4,f=-18!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 137:sc= -5.15! (180deg=-4.42!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0384 (180deg=-0.447) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0832) USER MOD Single : A 2 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 0.68 (180deg=0.479) USER MOD Single : A 31 GLN : amide:sc= -5.22! C(o=-5.2!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -12.6! C(o=-13!,f=-5.9!) USER MOD Single : A 41 GLN : amide:sc= -4.98! C(o=-5!,f=-7.2!) USER MOD Single : B 1 MET CE :methyl -164:sc= 0 (180deg=-0.0995) USER MOD Single : B 1 MET N :NH3+ 164:sc= 0 (180deg=-0.417) USER MOD Single : B 2 GLN : amide:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot -74:sc= 1.28 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.996 USER MOD Single : B 27 LYS NZ :NH3+ 162:sc= 0.977 (180deg=0.663) USER MOD Single : B 31 GLN : amide:sc= -5.31! C(o=-5.3!,f=-4.4!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -9.73! C(o=-9.7!,f=-6.1!) USER MOD Single : B 41 GLN : amide:sc= -3.7! C(o=-3.7!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.013 -4.444 -11.469 1.00 0.00 N ATOM 22 CA MET A 1 1.688 -3.066 -11.118 1.00 0.00 C ATOM 23 C MET A 1 2.825 -2.418 -10.333 1.00 0.00 C ATOM 24 O MET A 1 3.213 -2.900 -9.269 1.00 0.00 O ATOM 25 CB MET A 1 0.399 -3.016 -10.291 1.00 0.00 C ATOM 26 CG MET A 1 0.511 -3.717 -8.946 1.00 0.00 C ATOM 27 SD MET A 1 -0.978 -3.554 -7.945 1.00 0.00 S ATOM 28 CE MET A 1 -0.427 -4.298 -6.413 1.00 0.00 C ATOM 0 H1 MET A 1 1.186 -4.894 -11.912 1.00 0.00 H new ATOM 0 H2 MET A 1 2.811 -4.453 -12.136 1.00 0.00 H new ATOM 0 H3 MET A 1 2.274 -4.969 -10.610 1.00 0.00 H new ATOM 0 HA MET A 1 1.544 -2.511 -12.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.123 -1.974 -10.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.408 -3.473 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.719 -4.774 -9.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.359 -3.306 -8.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.289 -4.664 -5.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.242 -5.130 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.102 -3.554 -5.817 1.00 0.00 H new ATOM 38 N GLN A 2 3.352 -1.320 -10.862 1.00 0.00 N ATOM 39 CA GLN A 2 4.436 -0.606 -10.206 1.00 0.00 C ATOM 40 C GLN A 2 3.919 0.183 -9.003 1.00 0.00 C ATOM 41 O GLN A 2 3.176 1.154 -9.154 1.00 0.00 O ATOM 42 CB GLN A 2 5.126 0.330 -11.201 1.00 0.00 C ATOM 43 CG GLN A 2 4.174 1.293 -11.894 1.00 0.00 C ATOM 44 CD GLN A 2 4.871 2.180 -12.906 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.468 1.694 -13.868 1.00 0.00 O ATOM 46 NE2 GLN A 2 4.801 3.489 -12.695 1.00 0.00 N ATOM 0 H GLN A 2 3.045 -0.907 -11.743 1.00 0.00 H new ATOM 0 HA GLN A 2 5.161 -1.336 -9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.891 0.903 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.637 -0.268 -11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.390 0.725 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.687 1.917 -11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.296 3.849 -11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.252 4.135 -13.343 1.00 0.00 H new ATOM 55 N ILE A 3 4.313 -0.245 -7.809 1.00 0.00 N ATOM 56 CA ILE A 3 3.894 0.410 -6.575 1.00 0.00 C ATOM 57 C ILE A 3 4.583 1.759 -6.397 1.00 0.00 C ATOM 58 O ILE A 3 5.791 1.884 -6.598 1.00 0.00 O ATOM 59 CB ILE A 3 4.208 -0.466 -5.344 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.715 -0.728 -5.252 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.434 -1.775 -5.416 1.00 0.00 C ATOM 62 CD1 ILE A 3 6.132 -1.547 -4.051 1.00 0.00 C ATOM 0 H ILE A 3 4.926 -1.048 -7.669 1.00 0.00 H new ATOM 0 HA ILE A 3 2.817 0.561 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 3 3.897 0.065 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.039 -1.241 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.237 0.228 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.665 -2.383 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.365 -1.565 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.717 -2.316 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.213 -1.686 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.843 -1.027 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.641 -2.520 -4.086 1.00 0.00 H new ATOM 74 N PHE A 4 3.811 2.762 -5.997 1.00 0.00 N ATOM 75 CA PHE A 4 4.354 4.095 -5.766 1.00 0.00 C ATOM 76 C PHE A 4 4.820 4.213 -4.320 1.00 0.00 C ATOM 77 O PHE A 4 4.079 3.878 -3.395 1.00 0.00 O ATOM 78 CB PHE A 4 3.307 5.170 -6.079 1.00 0.00 C ATOM 79 CG PHE A 4 2.899 5.222 -7.527 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.399 4.096 -8.166 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.019 6.398 -8.250 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.027 4.143 -9.496 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.649 6.451 -9.581 1.00 0.00 C ATOM 84 CZ PHE A 4 2.153 5.323 -10.205 1.00 0.00 C ATOM 0 H PHE A 4 2.809 2.678 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 4 5.204 4.249 -6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.422 4.990 -5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.702 6.143 -5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.299 3.171 -7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.406 7.284 -7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.639 3.259 -9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.748 7.374 -10.133 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.864 5.363 -11.245 1.00 0.00 H new ATOM 94 N VAL A 5 6.055 4.666 -4.127 1.00 0.00 N ATOM 95 CA VAL A 5 6.614 4.792 -2.785 1.00 0.00 C ATOM 96 C VAL A 5 7.563 5.980 -2.682 1.00 0.00 C ATOM 97 O VAL A 5 8.415 6.182 -3.545 1.00 0.00 O ATOM 98 CB VAL A 5 7.397 3.522 -2.389 1.00 0.00 C ATOM 99 CG1 VAL A 5 7.884 3.614 -0.951 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.561 2.273 -2.604 1.00 0.00 C ATOM 0 H VAL A 5 6.684 4.950 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 5 5.770 4.938 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 5 8.271 3.450 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.433 2.708 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.539 4.478 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.029 3.722 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.139 1.395 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.659 2.330 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.284 2.197 -3.656 1.00 0.00 H new ATOM 110 N LYS A 6 7.430 6.748 -1.606 1.00 0.00 N ATOM 111 CA LYS A 6 8.303 7.894 -1.384 1.00 0.00 C ATOM 112 C LYS A 6 9.489 7.481 -0.521 1.00 0.00 C ATOM 113 O LYS A 6 9.311 6.974 0.587 1.00 0.00 O ATOM 114 CB LYS A 6 7.539 9.036 -0.712 1.00 0.00 C ATOM 115 CG LYS A 6 6.439 9.625 -1.578 1.00 0.00 C ATOM 116 CD LYS A 6 5.750 10.790 -0.883 1.00 0.00 C ATOM 117 CE LYS A 6 4.695 11.425 -1.773 1.00 0.00 C ATOM 118 NZ LYS A 6 4.012 12.562 -1.099 1.00 0.00 N ATOM 0 H LYS A 6 6.731 6.599 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 6 8.665 8.246 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.102 8.672 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.242 9.825 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.860 9.962 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.705 8.853 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.287 10.442 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.491 11.539 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.160 11.776 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.957 10.674 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.300 12.968 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.546 12.223 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.712 13.291 -0.853 1.00 0.00 H new ATOM 132 N THR A 7 10.697 7.691 -1.031 1.00 0.00 N ATOM 133 CA THR A 7 11.900 7.327 -0.296 1.00 0.00 C ATOM 134 C THR A 7 12.116 8.243 0.904 1.00 0.00 C ATOM 135 O THR A 7 11.175 8.857 1.407 1.00 0.00 O ATOM 136 CB THR A 7 13.150 7.367 -1.195 1.00 0.00 C ATOM 137 OG1 THR A 7 13.324 8.682 -1.736 1.00 0.00 O ATOM 138 CG2 THR A 7 13.035 6.356 -2.327 1.00 0.00 C ATOM 0 H THR A 7 10.868 8.109 -1.946 1.00 0.00 H new ATOM 0 HA THR A 7 11.752 6.306 0.055 1.00 0.00 H new ATOM 0 HB THR A 7 14.017 7.109 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.835 8.755 -2.582 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.929 6.402 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.934 5.354 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.159 6.587 -2.933 1.00 0.00 H new ATOM 146 N LEU A 8 13.360 8.325 1.359 1.00 0.00 N ATOM 147 CA LEU A 8 13.704 9.159 2.502 1.00 0.00 C ATOM 148 C LEU A 8 13.987 10.594 2.070 1.00 0.00 C ATOM 149 O LEU A 8 13.464 11.543 2.655 1.00 0.00 O ATOM 150 CB LEU A 8 14.921 8.580 3.236 1.00 0.00 C ATOM 151 CG LEU A 8 14.722 7.184 3.839 1.00 0.00 C ATOM 152 CD1 LEU A 8 13.566 7.188 4.821 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.478 6.151 2.755 1.00 0.00 C ATOM 0 H LEU A 8 14.149 7.822 0.952 1.00 0.00 H new ATOM 0 HA LEU A 8 12.851 9.169 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.759 8.541 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.202 9.266 4.035 1.00 0.00 H new ATOM 0 HG LEU A 8 15.636 6.917 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.440 6.189 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.774 7.894 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.652 7.484 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.340 5.171 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.584 6.418 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.335 6.121 2.082 1.00 0.00 H new ATOM 165 N THR A 9 14.823 10.744 1.047 1.00 0.00 N ATOM 166 CA THR A 9 15.179 12.063 0.541 1.00 0.00 C ATOM 167 C THR A 9 14.012 12.720 -0.190 1.00 0.00 C ATOM 168 O THR A 9 13.726 13.900 0.014 1.00 0.00 O ATOM 169 CB THR A 9 16.396 11.993 -0.403 1.00 0.00 C ATOM 170 OG1 THR A 9 16.679 13.292 -0.936 1.00 0.00 O ATOM 171 CG2 THR A 9 16.146 11.016 -1.543 1.00 0.00 C ATOM 0 H THR A 9 15.265 9.969 0.553 1.00 0.00 H new ATOM 0 HA THR A 9 15.436 12.670 1.409 1.00 0.00 H new ATOM 0 HB THR A 9 17.252 11.642 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.454 13.239 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.020 10.985 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.962 10.022 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.277 11.340 -2.116 1.00 0.00 H new ATOM 179 N GLY A 10 13.339 11.953 -1.045 1.00 0.00 N ATOM 180 CA GLY A 10 12.214 12.488 -1.790 1.00 0.00 C ATOM 181 C GLY A 10 11.933 11.716 -3.064 1.00 0.00 C ATOM 182 O GLY A 10 10.777 11.548 -3.454 1.00 0.00 O ATOM 0 H GLY A 10 13.553 10.974 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.326 12.473 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.411 13.531 -2.038 1.00 0.00 H new ATOM 186 N LYS A 11 12.996 11.254 -3.720 1.00 0.00 N ATOM 187 CA LYS A 11 12.868 10.503 -4.966 1.00 0.00 C ATOM 188 C LYS A 11 11.842 9.382 -4.835 1.00 0.00 C ATOM 189 O LYS A 11 11.872 8.607 -3.881 1.00 0.00 O ATOM 190 CB LYS A 11 14.221 9.916 -5.372 1.00 0.00 C ATOM 191 CG LYS A 11 14.178 9.130 -6.673 1.00 0.00 C ATOM 192 CD LYS A 11 15.514 8.471 -6.971 1.00 0.00 C ATOM 193 CE LYS A 11 15.480 7.717 -8.291 1.00 0.00 C ATOM 194 NZ LYS A 11 16.781 7.057 -8.587 1.00 0.00 N ATOM 0 H LYS A 11 13.958 11.387 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 11 12.526 11.194 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.944 10.726 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.579 9.264 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.401 8.368 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.909 9.796 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.296 9.230 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.770 7.784 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.691 6.966 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.231 8.407 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.716 6.554 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.530 7.776 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.006 6.379 -7.831 1.00 0.00 H new ATOM 208 N THR A 12 10.934 9.305 -5.802 1.00 0.00 N ATOM 209 CA THR A 12 9.900 8.278 -5.799 1.00 0.00 C ATOM 210 C THR A 12 10.410 6.982 -6.419 1.00 0.00 C ATOM 211 O THR A 12 11.001 6.990 -7.498 1.00 0.00 O ATOM 212 CB THR A 12 8.653 8.739 -6.575 1.00 0.00 C ATOM 213 OG1 THR A 12 8.177 9.982 -6.045 1.00 0.00 O ATOM 214 CG2 THR A 12 7.550 7.695 -6.498 1.00 0.00 C ATOM 0 H THR A 12 10.894 9.942 -6.598 1.00 0.00 H new ATOM 0 HA THR A 12 9.633 8.102 -4.757 1.00 0.00 H new ATOM 0 HB THR A 12 8.933 8.873 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.385 10.269 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.680 8.044 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.905 6.759 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.274 7.533 -5.456 1.00 0.00 H new ATOM 222 N ILE A 13 10.165 5.868 -5.737 1.00 0.00 N ATOM 223 CA ILE A 13 10.590 4.565 -6.233 1.00 0.00 C ATOM 224 C ILE A 13 9.469 3.850 -6.963 1.00 0.00 C ATOM 225 O ILE A 13 8.362 3.706 -6.441 1.00 0.00 O ATOM 226 CB ILE A 13 11.090 3.639 -5.109 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.495 4.046 -3.761 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.604 3.624 -5.060 1.00 0.00 C ATOM 229 CD1 ILE A 13 10.931 3.156 -2.619 1.00 0.00 C ATOM 0 H ILE A 13 9.676 5.842 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 13 11.412 4.773 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 13 10.753 2.626 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.783 5.074 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.407 4.027 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.936 2.964 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.995 3.265 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.972 4.633 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.472 3.502 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.620 2.130 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.016 3.194 -2.522 1.00 0.00 H new ATOM 241 N THR A 14 9.775 3.370 -8.157 1.00 0.00 N ATOM 242 CA THR A 14 8.812 2.632 -8.949 1.00 0.00 C ATOM 243 C THR A 14 9.206 1.162 -8.949 1.00 0.00 C ATOM 244 O THR A 14 10.364 0.827 -9.202 1.00 0.00 O ATOM 245 CB THR A 14 8.742 3.151 -10.395 1.00 0.00 C ATOM 246 OG1 THR A 14 8.944 4.569 -10.415 1.00 0.00 O ATOM 247 CG2 THR A 14 7.391 2.832 -11.009 1.00 0.00 C ATOM 0 H THR A 14 10.688 3.480 -8.598 1.00 0.00 H new ATOM 0 HA THR A 14 7.825 2.766 -8.506 1.00 0.00 H new ATOM 0 HB THR A 14 9.524 2.660 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.900 4.893 -11.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.359 3.206 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.239 1.753 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.604 3.308 -10.424 1.00 0.00 H new ATOM 255 N LEU A 15 8.264 0.287 -8.631 1.00 0.00 N ATOM 256 CA LEU A 15 8.560 -1.136 -8.564 1.00 0.00 C ATOM 257 C LEU A 15 7.285 -1.975 -8.683 1.00 0.00 C ATOM 258 O LEU A 15 6.415 -1.932 -7.819 1.00 0.00 O ATOM 259 CB LEU A 15 9.300 -1.404 -7.238 1.00 0.00 C ATOM 260 CG LEU A 15 8.835 -2.614 -6.422 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.164 -3.915 -7.135 1.00 0.00 C ATOM 262 CD2 LEU A 15 9.477 -2.588 -5.044 1.00 0.00 C ATOM 0 H LEU A 15 7.298 0.533 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 15 9.193 -1.428 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.360 -1.530 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.209 -0.516 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 15 7.752 -2.558 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.822 -4.757 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.664 -3.936 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.242 -3.987 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.141 -3.452 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.562 -2.620 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.189 -1.673 -4.526 1.00 0.00 H new ATOM 274 N GLU A 16 7.184 -2.738 -9.769 1.00 0.00 N ATOM 275 CA GLU A 16 6.019 -3.584 -10.013 1.00 0.00 C ATOM 276 C GLU A 16 6.052 -4.841 -9.146 1.00 0.00 C ATOM 277 O GLU A 16 7.118 -5.398 -8.885 1.00 0.00 O ATOM 278 CB GLU A 16 5.934 -3.967 -11.493 1.00 0.00 C ATOM 279 CG GLU A 16 6.954 -5.011 -11.931 1.00 0.00 C ATOM 280 CD GLU A 16 8.391 -4.531 -11.833 1.00 0.00 C ATOM 281 OE1 GLU A 16 8.887 -4.362 -10.700 1.00 0.00 O ATOM 282 OE2 GLU A 16 9.019 -4.326 -12.892 1.00 0.00 O ATOM 0 H GLU A 16 7.898 -2.787 -10.496 1.00 0.00 H new ATOM 0 HA GLU A 16 5.132 -3.011 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.933 -4.345 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.068 -3.069 -12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.835 -5.904 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.746 -5.302 -12.961 1.00 0.00 H new ATOM 289 N VAL A 17 4.874 -5.280 -8.701 1.00 0.00 N ATOM 290 CA VAL A 17 4.762 -6.470 -7.861 1.00 0.00 C ATOM 291 C VAL A 17 3.433 -7.186 -8.082 1.00 0.00 C ATOM 292 O VAL A 17 2.407 -6.554 -8.339 1.00 0.00 O ATOM 293 CB VAL A 17 4.888 -6.123 -6.366 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.274 -5.598 -6.048 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.837 -5.108 -5.965 1.00 0.00 C ATOM 0 H VAL A 17 3.984 -4.828 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 17 5.582 -7.127 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 17 4.728 -7.036 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.338 -5.360 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.016 -6.357 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.466 -4.699 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.942 -4.875 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.967 -4.198 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.845 -5.519 -6.150 1.00 0.00 H new ATOM 305 N GLU A 18 3.465 -8.511 -7.981 1.00 0.00 N ATOM 306 CA GLU A 18 2.272 -9.329 -8.166 1.00 0.00 C ATOM 307 C GLU A 18 1.275 -9.116 -7.027 1.00 0.00 C ATOM 308 O GLU A 18 1.669 -8.945 -5.874 1.00 0.00 O ATOM 309 CB GLU A 18 2.660 -10.806 -8.249 1.00 0.00 C ATOM 310 CG GLU A 18 3.690 -11.102 -9.326 1.00 0.00 C ATOM 311 CD GLU A 18 3.182 -10.790 -10.720 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.196 -11.425 -11.149 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.770 -9.910 -11.381 1.00 0.00 O ATOM 0 H GLU A 18 4.309 -9.043 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 18 1.794 -9.027 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.053 -11.125 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.765 -11.398 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.590 -10.519 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.973 -12.153 -9.273 1.00 0.00 H new ATOM 320 N PRO A 19 -0.033 -9.132 -7.338 1.00 0.00 N ATOM 321 CA PRO A 19 -1.089 -8.947 -6.334 1.00 0.00 C ATOM 322 C PRO A 19 -1.025 -9.995 -5.233 1.00 0.00 C ATOM 323 O PRO A 19 -1.244 -9.699 -4.059 1.00 0.00 O ATOM 324 CB PRO A 19 -2.388 -9.115 -7.131 1.00 0.00 C ATOM 325 CG PRO A 19 -1.991 -9.790 -8.399 1.00 0.00 C ATOM 326 CD PRO A 19 -0.589 -9.339 -8.684 1.00 0.00 C ATOM 0 HA PRO A 19 -0.999 -7.983 -5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.113 -9.712 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.855 -8.150 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.039 -10.874 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.662 -9.517 -9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.029 -10.089 -9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.571 -8.423 -9.274 1.00 0.00 H new ATOM 334 N SER A 20 -0.730 -11.222 -5.633 1.00 0.00 N ATOM 335 CA SER A 20 -0.641 -12.337 -4.705 1.00 0.00 C ATOM 336 C SER A 20 0.502 -12.136 -3.718 1.00 0.00 C ATOM 337 O SER A 20 0.445 -12.609 -2.583 1.00 0.00 O ATOM 338 CB SER A 20 -0.449 -13.638 -5.481 1.00 0.00 C ATOM 339 OG SER A 20 -0.364 -14.750 -4.607 1.00 0.00 O ATOM 0 H SER A 20 -0.547 -11.472 -6.605 1.00 0.00 H new ATOM 0 HA SER A 20 -1.569 -12.391 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.280 -13.778 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.458 -13.575 -6.082 1.00 0.00 H new ATOM 0 HG SER A 20 -0.243 -15.569 -5.131 1.00 0.00 H new ATOM 345 N ASP A 21 1.540 -11.431 -4.157 1.00 0.00 N ATOM 346 CA ASP A 21 2.694 -11.167 -3.308 1.00 0.00 C ATOM 347 C ASP A 21 2.269 -10.484 -2.010 1.00 0.00 C ATOM 348 O ASP A 21 1.531 -9.498 -2.027 1.00 0.00 O ATOM 349 CB ASP A 21 3.711 -10.301 -4.053 1.00 0.00 C ATOM 350 CG ASP A 21 4.300 -11.006 -5.260 1.00 0.00 C ATOM 351 OD1 ASP A 21 3.881 -12.146 -5.547 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.180 -10.416 -5.920 1.00 0.00 O ATOM 0 H ASP A 21 1.605 -11.033 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 21 3.159 -12.120 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.230 -9.377 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.514 -10.022 -3.371 1.00 0.00 H new ATOM 357 N THR A 22 2.735 -11.023 -0.888 1.00 0.00 N ATOM 358 CA THR A 22 2.405 -10.480 0.426 1.00 0.00 C ATOM 359 C THR A 22 2.917 -9.055 0.592 1.00 0.00 C ATOM 360 O THR A 22 3.947 -8.684 0.029 1.00 0.00 O ATOM 361 CB THR A 22 2.984 -11.351 1.554 1.00 0.00 C ATOM 362 OG1 THR A 22 4.406 -11.461 1.412 1.00 0.00 O ATOM 363 CG2 THR A 22 2.358 -12.736 1.540 1.00 0.00 C ATOM 0 H THR A 22 3.346 -11.840 -0.862 1.00 0.00 H new ATOM 0 HA THR A 22 1.317 -10.477 0.493 1.00 0.00 H new ATOM 0 HB THR A 22 2.753 -10.874 2.506 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.765 -12.016 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.782 -13.335 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.281 -12.650 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.562 -13.218 0.584 1.00 0.00 H new ATOM 371 N ILE A 23 2.188 -8.262 1.373 1.00 0.00 N ATOM 372 CA ILE A 23 2.566 -6.875 1.623 1.00 0.00 C ATOM 373 C ILE A 23 3.991 -6.794 2.163 1.00 0.00 C ATOM 374 O ILE A 23 4.770 -5.933 1.763 1.00 0.00 O ATOM 375 CB ILE A 23 1.609 -6.197 2.627 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.175 -6.207 2.087 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.065 -4.772 2.914 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.834 -5.582 3.029 1.00 0.00 C ATOM 0 H ILE A 23 1.332 -8.557 1.843 1.00 0.00 H new ATOM 0 HA ILE A 23 2.503 -6.350 0.670 1.00 0.00 H new ATOM 0 HB ILE A 23 1.628 -6.759 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.150 -5.674 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.120 -7.236 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.381 -4.307 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.069 -4.790 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.072 -4.199 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.826 -5.625 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.839 -6.129 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.564 -4.542 3.214 1.00 0.00 H new ATOM 390 N GLU A 24 4.325 -7.699 3.073 1.00 0.00 N ATOM 391 CA GLU A 24 5.657 -7.733 3.664 1.00 0.00 C ATOM 392 C GLU A 24 6.716 -8.017 2.601 1.00 0.00 C ATOM 393 O GLU A 24 7.863 -7.585 2.724 1.00 0.00 O ATOM 394 CB GLU A 24 5.724 -8.795 4.765 1.00 0.00 C ATOM 395 CG GLU A 24 5.423 -10.202 4.274 1.00 0.00 C ATOM 396 CD GLU A 24 5.496 -11.234 5.383 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.578 -11.376 5.990 1.00 0.00 O ATOM 398 OE2 GLU A 24 4.472 -11.900 5.644 1.00 0.00 O ATOM 0 H GLU A 24 3.692 -8.420 3.419 1.00 0.00 H new ATOM 0 HA GLU A 24 5.859 -6.755 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.718 -8.780 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.016 -8.535 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.428 -10.222 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.130 -10.468 3.488 1.00 0.00 H new ATOM 405 N ASN A 25 6.325 -8.752 1.564 1.00 0.00 N ATOM 406 CA ASN A 25 7.242 -9.103 0.484 1.00 0.00 C ATOM 407 C ASN A 25 7.591 -7.880 -0.359 1.00 0.00 C ATOM 408 O ASN A 25 8.763 -7.617 -0.629 1.00 0.00 O ATOM 409 CB ASN A 25 6.625 -10.187 -0.400 1.00 0.00 C ATOM 410 CG ASN A 25 7.621 -10.774 -1.381 1.00 0.00 C ATOM 411 OD1 ASN A 25 8.193 -10.062 -2.206 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.834 -12.082 -1.296 1.00 0.00 N ATOM 0 H ASN A 25 5.379 -9.116 1.449 1.00 0.00 H new ATOM 0 HA ASN A 25 8.160 -9.484 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.229 -10.983 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.783 -9.767 -0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.493 -12.534 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.338 -12.635 -0.597 1.00 0.00 H new ATOM 419 N VAL A 26 6.568 -7.137 -0.776 1.00 0.00 N ATOM 420 CA VAL A 26 6.774 -5.947 -1.591 1.00 0.00 C ATOM 421 C VAL A 26 7.583 -4.897 -0.837 1.00 0.00 C ATOM 422 O VAL A 26 8.479 -4.267 -1.401 1.00 0.00 O ATOM 423 CB VAL A 26 5.438 -5.335 -2.054 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.676 -6.320 -2.923 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.594 -4.897 -0.869 1.00 0.00 C ATOM 0 H VAL A 26 5.591 -7.339 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 26 7.333 -6.262 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 26 5.660 -4.449 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.735 -5.872 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.274 -6.570 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.472 -7.226 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.658 -4.469 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.381 -5.758 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.137 -4.149 -0.292 1.00 0.00 H new ATOM 435 N LYS A 27 7.266 -4.719 0.441 1.00 0.00 N ATOM 436 CA LYS A 27 7.968 -3.752 1.276 1.00 0.00 C ATOM 437 C LYS A 27 9.448 -4.104 1.367 1.00 0.00 C ATOM 438 O LYS A 27 10.308 -3.224 1.388 1.00 0.00 O ATOM 439 CB LYS A 27 7.352 -3.716 2.675 1.00 0.00 C ATOM 440 CG LYS A 27 5.881 -3.329 2.680 1.00 0.00 C ATOM 441 CD LYS A 27 5.285 -3.389 4.078 1.00 0.00 C ATOM 442 CE LYS A 27 5.939 -2.381 5.010 1.00 0.00 C ATOM 443 NZ LYS A 27 5.355 -2.431 6.379 1.00 0.00 N ATOM 0 H LYS A 27 6.527 -5.232 0.921 1.00 0.00 H new ATOM 0 HA LYS A 27 7.870 -2.766 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.463 -4.697 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.908 -3.008 3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.769 -2.321 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.327 -3.997 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.214 -3.195 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.408 -4.393 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.010 -2.578 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.820 -1.378 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.987 -1.942 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.426 -1.964 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.243 -3.422 6.673 1.00 0.00 H new ATOM 457 N ALA A 28 9.732 -5.401 1.423 1.00 0.00 N ATOM 458 CA ALA A 28 11.102 -5.885 1.515 1.00 0.00 C ATOM 459 C ALA A 28 11.929 -5.455 0.307 1.00 0.00 C ATOM 460 O ALA A 28 13.112 -5.143 0.437 1.00 0.00 O ATOM 461 CB ALA A 28 11.118 -7.397 1.665 1.00 0.00 C ATOM 0 H ALA A 28 9.027 -6.138 1.406 1.00 0.00 H new ATOM 0 HA ALA A 28 11.557 -5.439 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.149 -7.745 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.580 -7.679 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.637 -7.854 0.800 1.00 0.00 H new ATOM 467 N LYS A 29 11.305 -5.434 -0.870 1.00 0.00 N ATOM 468 CA LYS A 29 11.997 -5.029 -2.087 1.00 0.00 C ATOM 469 C LYS A 29 12.450 -3.590 -1.954 1.00 0.00 C ATOM 470 O LYS A 29 13.563 -3.239 -2.338 1.00 0.00 O ATOM 471 CB LYS A 29 11.084 -5.163 -3.306 1.00 0.00 C ATOM 472 CG LYS A 29 10.336 -6.480 -3.373 1.00 0.00 C ATOM 473 CD LYS A 29 9.554 -6.603 -4.672 1.00 0.00 C ATOM 474 CE LYS A 29 8.777 -7.907 -4.742 1.00 0.00 C ATOM 475 NZ LYS A 29 7.729 -7.986 -3.689 1.00 0.00 N ATOM 0 H LYS A 29 10.327 -5.692 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 29 12.859 -5.681 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.362 -4.347 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.683 -5.050 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.042 -7.307 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.654 -6.557 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.864 -5.764 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.241 -6.543 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.313 -8.001 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.465 -8.746 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.853 -8.368 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.053 -8.610 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.547 -7.035 -3.308 1.00 0.00 H new ATOM 489 N ILE A 30 11.574 -2.767 -1.391 1.00 0.00 N ATOM 490 CA ILE A 30 11.873 -1.364 -1.182 1.00 0.00 C ATOM 491 C ILE A 30 13.166 -1.222 -0.387 1.00 0.00 C ATOM 492 O ILE A 30 13.929 -0.277 -0.590 1.00 0.00 O ATOM 493 CB ILE A 30 10.721 -0.647 -0.457 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.433 -0.756 -1.284 1.00 0.00 C ATOM 495 CG2 ILE A 30 11.081 0.812 -0.206 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.241 -0.069 -0.652 1.00 0.00 C ATOM 0 H ILE A 30 10.648 -3.053 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 30 11.996 -0.894 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 30 10.555 -1.127 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.608 -0.326 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.196 -1.809 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.257 1.307 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.977 0.864 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.267 1.310 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.369 -0.189 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.038 -0.515 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.456 0.992 -0.528 1.00 0.00 H new ATOM 508 N GLN A 31 13.424 -2.190 0.493 1.00 0.00 N ATOM 509 CA GLN A 31 14.646 -2.191 1.283 1.00 0.00 C ATOM 510 C GLN A 31 15.822 -2.313 0.336 1.00 0.00 C ATOM 511 O GLN A 31 16.756 -1.515 0.364 1.00 0.00 O ATOM 512 CB GLN A 31 14.662 -3.366 2.256 1.00 0.00 C ATOM 513 CG GLN A 31 13.422 -3.471 3.121 1.00 0.00 C ATOM 514 CD GLN A 31 13.435 -4.712 3.990 1.00 0.00 C ATOM 515 OE1 GLN A 31 13.386 -5.836 3.493 1.00 0.00 O ATOM 516 NE2 GLN A 31 13.519 -4.509 5.295 1.00 0.00 N ATOM 0 H GLN A 31 12.803 -2.979 0.673 1.00 0.00 H new ATOM 0 HA GLN A 31 14.704 -1.268 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.776 -4.291 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.536 -3.277 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.346 -2.587 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.537 -3.484 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.557 -3.558 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.546 -5.304 5.934 1.00 0.00 H new ATOM 525 N ASP A 32 15.738 -3.314 -0.530 1.00 0.00 N ATOM 526 CA ASP A 32 16.766 -3.543 -1.528 1.00 0.00 C ATOM 527 C ASP A 32 16.883 -2.305 -2.404 1.00 0.00 C ATOM 528 O ASP A 32 17.963 -1.951 -2.878 1.00 0.00 O ATOM 529 CB ASP A 32 16.421 -4.769 -2.377 1.00 0.00 C ATOM 530 CG ASP A 32 17.476 -5.072 -3.423 1.00 0.00 C ATOM 531 OD1 ASP A 32 17.702 -4.219 -4.307 1.00 0.00 O ATOM 532 OD2 ASP A 32 18.078 -6.164 -3.358 1.00 0.00 O ATOM 0 H ASP A 32 14.966 -3.980 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 32 17.720 -3.733 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.302 -5.635 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.463 -4.606 -2.870 1.00 0.00 H new ATOM 537 N LYS A 33 15.743 -1.650 -2.595 1.00 0.00 N ATOM 538 CA LYS A 33 15.657 -0.437 -3.391 1.00 0.00 C ATOM 539 C LYS A 33 16.348 0.729 -2.685 1.00 0.00 C ATOM 540 O LYS A 33 16.904 1.614 -3.334 1.00 0.00 O ATOM 541 CB LYS A 33 14.188 -0.105 -3.670 1.00 0.00 C ATOM 542 CG LYS A 33 13.512 -1.079 -4.624 1.00 0.00 C ATOM 543 CD LYS A 33 14.166 -1.070 -5.999 1.00 0.00 C ATOM 544 CE LYS A 33 14.045 0.290 -6.670 1.00 0.00 C ATOM 545 NZ LYS A 33 14.680 0.305 -8.015 1.00 0.00 N ATOM 0 H LYS A 33 14.851 -1.949 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 33 16.170 -0.603 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.641 -0.095 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.124 0.901 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.556 -2.085 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.458 -0.820 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.219 -1.336 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.701 -1.829 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.992 0.556 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.511 1.048 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.575 1.249 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.690 0.076 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.219 -0.400 -8.625 1.00 0.00 H new ATOM 559 N GLU A 34 16.312 0.718 -1.353 1.00 0.00 N ATOM 560 CA GLU A 34 16.938 1.773 -0.560 1.00 0.00 C ATOM 561 C GLU A 34 17.622 1.199 0.680 1.00 0.00 C ATOM 562 O GLU A 34 18.850 1.206 0.774 1.00 0.00 O ATOM 563 CB GLU A 34 15.897 2.817 -0.146 1.00 0.00 C ATOM 564 CG GLU A 34 15.319 3.605 -1.312 1.00 0.00 C ATOM 565 CD GLU A 34 16.338 4.517 -1.970 1.00 0.00 C ATOM 566 OE1 GLU A 34 17.362 4.006 -2.470 1.00 0.00 O ATOM 567 OE2 GLU A 34 16.110 5.745 -1.985 1.00 0.00 O ATOM 0 H GLU A 34 15.856 -0.009 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 34 17.697 2.251 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.084 2.317 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.354 3.512 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.927 2.910 -2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.478 4.202 -0.959 1.00 0.00 H new ATOM 574 N GLY A 35 16.830 0.692 1.626 1.00 0.00 N ATOM 575 CA GLY A 35 17.406 0.116 2.832 1.00 0.00 C ATOM 576 C GLY A 35 16.509 0.244 4.051 1.00 0.00 C ATOM 577 O GLY A 35 16.534 -0.610 4.936 1.00 0.00 O ATOM 0 H GLY A 35 15.811 0.670 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.619 -0.938 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.359 0.603 3.039 1.00 0.00 H new ATOM 581 N ILE A 36 15.741 1.326 4.109 1.00 0.00 N ATOM 582 CA ILE A 36 14.852 1.589 5.233 1.00 0.00 C ATOM 583 C ILE A 36 14.000 0.383 5.630 1.00 0.00 C ATOM 584 O ILE A 36 13.384 -0.269 4.789 1.00 0.00 O ATOM 585 CB ILE A 36 13.922 2.784 4.947 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.674 2.949 3.441 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.514 4.057 5.526 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.983 1.773 2.789 1.00 0.00 C ATOM 0 H ILE A 36 15.717 2.041 3.382 1.00 0.00 H new ATOM 0 HA ILE A 36 15.512 1.821 6.069 1.00 0.00 H new ATOM 0 HB ILE A 36 12.962 2.588 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.072 3.843 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.630 3.115 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.849 4.895 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.632 3.946 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.487 4.245 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.848 1.974 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.592 0.878 2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.010 1.618 3.256 1.00 0.00 H new ATOM 600 N PRO A 37 13.956 0.090 6.944 1.00 0.00 N ATOM 601 CA PRO A 37 13.175 -1.024 7.499 1.00 0.00 C ATOM 602 C PRO A 37 11.728 -1.036 7.004 1.00 0.00 C ATOM 603 O PRO A 37 11.190 -0.001 6.609 1.00 0.00 O ATOM 604 CB PRO A 37 13.209 -0.749 9.001 1.00 0.00 C ATOM 605 CG PRO A 37 14.487 -0.025 9.218 1.00 0.00 C ATOM 606 CD PRO A 37 14.674 0.832 8.000 1.00 0.00 C ATOM 0 HA PRO A 37 13.583 -1.991 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.355 -0.149 9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 37 13.175 -1.675 9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.446 0.582 10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.317 -0.721 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.258 1.829 8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.729 0.958 7.756 1.00 0.00 H new ATOM 614 N PRO A 38 11.080 -2.215 7.018 1.00 0.00 N ATOM 615 CA PRO A 38 9.691 -2.367 6.567 1.00 0.00 C ATOM 616 C PRO A 38 8.690 -1.644 7.467 1.00 0.00 C ATOM 617 O PRO A 38 7.722 -1.058 6.983 1.00 0.00 O ATOM 618 CB PRO A 38 9.449 -3.885 6.618 1.00 0.00 C ATOM 619 CG PRO A 38 10.800 -4.503 6.755 1.00 0.00 C ATOM 620 CD PRO A 38 11.648 -3.493 7.470 1.00 0.00 C ATOM 0 HA PRO A 38 9.549 -1.931 5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.809 -4.152 7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.949 -4.233 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.747 -5.435 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.220 -4.743 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.584 -3.604 8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.700 -3.586 7.202 1.00 0.00 H new ATOM 628 N ASP A 39 8.918 -1.696 8.778 1.00 0.00 N ATOM 629 CA ASP A 39 8.024 -1.053 9.737 1.00 0.00 C ATOM 630 C ASP A 39 7.885 0.436 9.445 1.00 0.00 C ATOM 631 O ASP A 39 6.792 0.995 9.544 1.00 0.00 O ATOM 632 CB ASP A 39 8.526 -1.262 11.167 1.00 0.00 C ATOM 633 CG ASP A 39 9.914 -0.695 11.387 1.00 0.00 C ATOM 634 OD1 ASP A 39 10.857 -1.163 10.718 1.00 0.00 O ATOM 635 OD2 ASP A 39 10.056 0.218 12.228 1.00 0.00 O ATOM 0 H ASP A 39 9.713 -2.176 9.199 1.00 0.00 H new ATOM 0 HA ASP A 39 7.042 -1.516 9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.831 -0.793 11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.533 -2.328 11.393 1.00 0.00 H new ATOM 640 N GLN A 40 8.993 1.071 9.082 1.00 0.00 N ATOM 641 CA GLN A 40 8.984 2.495 8.774 1.00 0.00 C ATOM 642 C GLN A 40 8.060 2.785 7.596 1.00 0.00 C ATOM 643 O GLN A 40 7.310 3.760 7.605 1.00 0.00 O ATOM 644 CB GLN A 40 10.399 2.975 8.456 1.00 0.00 C ATOM 645 CG GLN A 40 11.362 2.862 9.627 1.00 0.00 C ATOM 646 CD GLN A 40 12.801 3.147 9.232 1.00 0.00 C ATOM 647 OE1 GLN A 40 13.696 3.161 10.077 1.00 0.00 O ATOM 648 NE2 GLN A 40 13.033 3.367 7.940 1.00 0.00 N ATOM 0 H GLN A 40 9.906 0.624 8.994 1.00 0.00 H new ATOM 0 HA GLN A 40 8.613 3.032 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.790 2.396 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.356 4.015 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.060 3.558 10.409 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.297 1.859 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.262 3.346 7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.982 3.556 7.617 1.00 0.00 H new ATOM 657 N GLN A 41 8.128 1.927 6.585 1.00 0.00 N ATOM 658 CA GLN A 41 7.308 2.072 5.389 1.00 0.00 C ATOM 659 C GLN A 41 5.822 2.091 5.738 1.00 0.00 C ATOM 660 O GLN A 41 5.379 1.383 6.642 1.00 0.00 O ATOM 661 CB GLN A 41 7.605 0.927 4.420 1.00 0.00 C ATOM 662 CG GLN A 41 9.063 0.861 3.993 1.00 0.00 C ATOM 663 CD GLN A 41 9.385 -0.390 3.202 1.00 0.00 C ATOM 664 OE1 GLN A 41 8.770 -0.662 2.172 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.358 -1.157 3.679 1.00 0.00 N ATOM 0 H GLN A 41 8.748 1.117 6.571 1.00 0.00 H new ATOM 0 HA GLN A 41 7.554 3.023 4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.328 -0.017 4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.979 1.039 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.301 1.738 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.698 0.900 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.841 -0.893 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.622 -2.011 3.187 1.00 0.00 H new ATOM 674 N ARG A 42 5.055 2.906 5.015 1.00 0.00 N ATOM 675 CA ARG A 42 3.623 3.014 5.249 1.00 0.00 C ATOM 676 C ARG A 42 2.845 3.016 3.942 1.00 0.00 C ATOM 677 O ARG A 42 2.903 3.979 3.179 1.00 0.00 O ATOM 678 CB ARG A 42 3.296 4.288 6.026 1.00 0.00 C ATOM 679 CG ARG A 42 3.864 4.320 7.434 1.00 0.00 C ATOM 680 CD ARG A 42 3.414 5.567 8.177 1.00 0.00 C ATOM 681 NE ARG A 42 3.917 5.605 9.549 1.00 0.00 N ATOM 682 CZ ARG A 42 5.207 5.694 9.862 1.00 0.00 C ATOM 683 NH1 ARG A 42 6.122 5.779 8.907 1.00 0.00 N ATOM 684 NH2 ARG A 42 5.581 5.706 11.134 1.00 0.00 N ATOM 0 H ARG A 42 5.405 3.500 4.263 1.00 0.00 H new ATOM 0 HA ARG A 42 3.327 2.143 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.678 5.146 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.213 4.400 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.543 3.432 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.953 4.291 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.759 6.451 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.325 5.607 8.190 1.00 0.00 H new ATOM 0 HE ARG A 42 3.240 5.561 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.838 5.776 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.110 5.847 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.880 5.647 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.570 5.774 11.374 1.00 0.00 H new ATOM 698 N LEU A 43 2.105 1.939 3.698 1.00 0.00 N ATOM 699 CA LEU A 43 1.302 1.821 2.487 1.00 0.00 C ATOM 700 C LEU A 43 0.025 2.650 2.607 1.00 0.00 C ATOM 701 O LEU A 43 -0.612 2.677 3.661 1.00 0.00 O ATOM 702 CB LEU A 43 0.967 0.350 2.201 1.00 0.00 C ATOM 703 CG LEU A 43 -0.091 -0.296 3.108 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.295 -1.751 2.719 1.00 0.00 C ATOM 705 CD2 LEU A 43 0.296 -0.194 4.574 1.00 0.00 C ATOM 0 H LEU A 43 2.045 1.135 4.323 1.00 0.00 H new ATOM 0 HA LEU A 43 1.884 2.208 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.627 0.271 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.886 -0.231 2.279 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.026 0.247 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.047 -2.199 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.630 -1.807 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.645 -2.292 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.475 -0.661 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.246 -0.703 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.395 0.855 4.852 1.00 0.00 H new ATOM 717 N ILE A 44 -0.341 3.331 1.523 1.00 0.00 N ATOM 718 CA ILE A 44 -1.538 4.166 1.512 1.00 0.00 C ATOM 719 C ILE A 44 -2.336 3.973 0.227 1.00 0.00 C ATOM 720 O ILE A 44 -1.891 4.353 -0.854 1.00 0.00 O ATOM 721 CB ILE A 44 -1.178 5.657 1.660 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.633 5.936 3.064 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.392 6.530 1.366 1.00 0.00 C ATOM 724 CD1 ILE A 44 -0.224 7.375 3.281 1.00 0.00 C ATOM 0 H ILE A 44 0.174 3.320 0.643 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.147 3.857 2.361 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.401 5.902 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.392 5.668 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.227 5.292 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.120 7.580 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.733 6.348 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.192 6.288 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.152 7.497 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.558 7.642 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.087 8.025 3.133 1.00 0.00 H new ATOM 736 N PHE A 45 -3.521 3.386 0.359 1.00 0.00 N ATOM 737 CA PHE A 45 -4.391 3.141 -0.787 1.00 0.00 C ATOM 738 C PHE A 45 -5.232 4.376 -1.103 1.00 0.00 C ATOM 739 O PHE A 45 -5.614 5.121 -0.202 1.00 0.00 O ATOM 740 CB PHE A 45 -5.301 1.939 -0.523 1.00 0.00 C ATOM 741 CG PHE A 45 -4.560 0.689 -0.136 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.877 0.614 1.068 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.542 -0.410 -0.979 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.192 -0.531 1.423 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.859 -1.559 -0.629 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.183 -1.620 0.574 1.00 0.00 C ATOM 0 H PHE A 45 -3.902 3.070 1.251 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.761 2.922 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.003 2.194 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.891 1.738 -1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.881 1.462 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.068 -0.368 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.664 -0.575 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.854 -2.409 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.649 -2.517 0.850 1.00 0.00 H new ATOM 756 N ALA A 46 -5.518 4.590 -2.384 1.00 0.00 N ATOM 757 CA ALA A 46 -6.317 5.739 -2.801 1.00 0.00 C ATOM 758 C ALA A 46 -6.961 5.504 -4.163 1.00 0.00 C ATOM 759 O ALA A 46 -6.282 5.176 -5.136 1.00 0.00 O ATOM 760 CB ALA A 46 -5.460 6.994 -2.828 1.00 0.00 C ATOM 0 H ALA A 46 -5.211 3.987 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.118 5.873 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.068 7.843 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.059 7.182 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.638 6.858 -3.531 1.00 0.00 H new ATOM 766 N GLY A 47 -8.278 5.676 -4.224 1.00 0.00 N ATOM 767 CA GLY A 47 -9.001 5.479 -5.467 1.00 0.00 C ATOM 768 C GLY A 47 -8.731 6.567 -6.490 1.00 0.00 C ATOM 769 O GLY A 47 -7.581 6.936 -6.727 1.00 0.00 O ATOM 0 H GLY A 47 -8.859 5.949 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.727 4.513 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.070 5.443 -5.257 1.00 0.00 H new ATOM 868 N MET B 1 -2.182 -4.372 11.525 1.00 0.00 N ATOM 869 CA MET B 1 -1.872 -2.988 11.185 1.00 0.00 C ATOM 870 C MET B 1 -2.997 -2.353 10.371 1.00 0.00 C ATOM 871 O MET B 1 -3.326 -2.817 9.279 1.00 0.00 O ATOM 872 CB MET B 1 -0.562 -2.915 10.392 1.00 0.00 C ATOM 873 CG MET B 1 -0.623 -3.632 9.052 1.00 0.00 C ATOM 874 SD MET B 1 0.889 -3.449 8.090 1.00 0.00 S ATOM 875 CE MET B 1 0.398 -4.227 6.553 1.00 0.00 C ATOM 0 H1 MET B 1 -1.314 -4.857 11.831 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.880 -4.392 12.295 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.573 -4.855 10.691 1.00 0.00 H new ATOM 0 HA MET B 1 -1.764 -2.434 12.118 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.306 -1.869 10.224 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.240 -3.347 10.990 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.814 -4.692 9.221 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.463 -3.244 8.476 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.284 -4.452 5.960 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.139 -5.151 6.768 1.00 0.00 H new ATOM 0 HE3 MET B 1 -0.250 -3.552 5.994 1.00 0.00 H new ATOM 885 N GLN B 2 -3.577 -1.282 10.902 1.00 0.00 N ATOM 886 CA GLN B 2 -4.652 -0.581 10.213 1.00 0.00 C ATOM 887 C GLN B 2 -4.103 0.185 9.010 1.00 0.00 C ATOM 888 O GLN B 2 -3.351 1.148 9.162 1.00 0.00 O ATOM 889 CB GLN B 2 -5.360 0.376 11.175 1.00 0.00 C ATOM 890 CG GLN B 2 -4.421 1.350 11.870 1.00 0.00 C ATOM 891 CD GLN B 2 -5.141 2.269 12.837 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.780 1.814 13.785 1.00 0.00 O ATOM 893 NE2 GLN B 2 -5.042 3.573 12.601 1.00 0.00 N ATOM 0 H GLN B 2 -3.321 -0.882 11.805 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.374 -1.315 9.855 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -6.112 0.941 10.624 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.888 -0.207 11.930 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.657 0.790 12.409 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.907 1.950 11.120 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.502 3.907 11.803 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.506 4.240 13.218 1.00 0.00 H new ATOM 902 N ILE B 3 -4.478 -0.254 7.814 1.00 0.00 N ATOM 903 CA ILE B 3 -4.019 0.383 6.584 1.00 0.00 C ATOM 904 C ILE B 3 -4.685 1.736 6.364 1.00 0.00 C ATOM 905 O ILE B 3 -5.905 1.869 6.485 1.00 0.00 O ATOM 906 CB ILE B 3 -4.287 -0.511 5.358 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.774 -0.861 5.266 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.439 -1.772 5.430 1.00 0.00 C ATOM 909 CD1 ILE B 3 -6.135 -1.669 4.039 1.00 0.00 C ATOM 0 H ILE B 3 -5.100 -1.050 7.669 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.945 0.533 6.697 1.00 0.00 H new ATOM 0 HB ILE B 3 -4.011 0.038 4.458 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.062 -1.421 6.156 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.356 0.061 5.267 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.638 -2.395 4.558 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.384 -1.500 5.448 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.687 -2.326 6.335 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.205 -1.879 4.043 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.879 -1.104 3.143 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.581 -2.608 4.046 1.00 0.00 H new ATOM 921 N PHE B 4 -3.878 2.737 6.024 1.00 0.00 N ATOM 922 CA PHE B 4 -4.388 4.078 5.766 1.00 0.00 C ATOM 923 C PHE B 4 -4.755 4.225 4.294 1.00 0.00 C ATOM 924 O PHE B 4 -3.929 3.981 3.414 1.00 0.00 O ATOM 925 CB PHE B 4 -3.348 5.140 6.144 1.00 0.00 C ATOM 926 CG PHE B 4 -2.995 5.172 7.606 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.503 4.044 8.246 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.152 6.337 8.341 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.175 4.078 9.588 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.827 6.377 9.683 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.338 5.247 10.308 1.00 0.00 C ATOM 0 H PHE B 4 -2.868 2.644 5.921 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.277 4.226 6.379 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.440 4.963 5.567 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.725 6.120 5.852 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.375 3.128 7.689 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.533 7.225 7.858 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.792 3.193 10.074 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.955 7.292 10.243 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.083 5.276 11.357 1.00 0.00 H new ATOM 941 N VAL B 5 -5.994 4.621 4.027 1.00 0.00 N ATOM 942 CA VAL B 5 -6.458 4.795 2.656 1.00 0.00 C ATOM 943 C VAL B 5 -7.543 5.863 2.560 1.00 0.00 C ATOM 944 O VAL B 5 -8.508 5.858 3.323 1.00 0.00 O ATOM 945 CB VAL B 5 -6.971 3.460 2.067 1.00 0.00 C ATOM 946 CG1 VAL B 5 -7.611 2.600 3.143 1.00 0.00 C ATOM 947 CG2 VAL B 5 -7.929 3.699 0.908 1.00 0.00 C ATOM 0 H VAL B 5 -6.694 4.827 4.740 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.602 5.129 2.069 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.111 2.917 1.675 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.963 1.667 2.702 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.877 2.380 3.918 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.453 3.134 3.583 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.272 2.741 0.516 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.786 4.276 1.257 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.416 4.251 0.120 1.00 0.00 H new ATOM 957 N LYS B 6 -7.370 6.781 1.612 1.00 0.00 N ATOM 958 CA LYS B 6 -8.327 7.863 1.403 1.00 0.00 C ATOM 959 C LYS B 6 -9.487 7.403 0.528 1.00 0.00 C ATOM 960 O LYS B 6 -9.278 6.815 -0.535 1.00 0.00 O ATOM 961 CB LYS B 6 -7.636 9.064 0.757 1.00 0.00 C ATOM 962 CG LYS B 6 -6.526 9.660 1.605 1.00 0.00 C ATOM 963 CD LYS B 6 -5.856 10.830 0.903 1.00 0.00 C ATOM 964 CE LYS B 6 -4.778 11.457 1.771 1.00 0.00 C ATOM 965 NZ LYS B 6 -4.099 12.590 1.083 1.00 0.00 N ATOM 0 H LYS B 6 -6.573 6.796 0.975 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.722 8.157 2.376 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.223 8.760 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.380 9.834 0.555 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -6.934 9.992 2.559 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.784 8.893 1.826 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.417 10.490 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.604 11.581 0.651 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -5.222 11.811 2.702 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.041 10.700 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.371 12.990 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.653 12.248 0.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.798 13.325 0.851 1.00 0.00 H new ATOM 979 N THR B 7 -10.708 7.677 0.974 1.00 0.00 N ATOM 980 CA THR B 7 -11.894 7.292 0.218 1.00 0.00 C ATOM 981 C THR B 7 -12.090 8.197 -0.993 1.00 0.00 C ATOM 982 O THR B 7 -11.141 8.811 -1.482 1.00 0.00 O ATOM 983 CB THR B 7 -13.162 7.337 1.093 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.351 8.655 1.619 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.067 6.337 2.234 1.00 0.00 C ATOM 0 H THR B 7 -10.902 8.162 1.850 1.00 0.00 H new ATOM 0 HA THR B 7 -11.735 6.268 -0.119 1.00 0.00 H new ATOM 0 HB THR B 7 -14.016 7.072 0.469 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.705 8.816 2.338 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.973 6.387 2.838 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.956 5.331 1.828 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.203 6.575 2.855 1.00 0.00 H new ATOM 993 N LEU B 8 -13.326 8.273 -1.475 1.00 0.00 N ATOM 994 CA LEU B 8 -13.648 9.098 -2.632 1.00 0.00 C ATOM 995 C LEU B 8 -13.942 10.535 -2.213 1.00 0.00 C ATOM 996 O LEU B 8 -13.413 11.482 -2.794 1.00 0.00 O ATOM 997 CB LEU B 8 -14.848 8.517 -3.389 1.00 0.00 C ATOM 998 CG LEU B 8 -14.678 7.077 -3.891 1.00 0.00 C ATOM 999 CD1 LEU B 8 -13.406 6.934 -4.707 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.671 6.098 -2.734 1.00 0.00 C ATOM 0 H LEU B 8 -14.122 7.772 -1.081 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.781 9.102 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.720 8.555 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.061 9.159 -4.244 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.528 6.847 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -13.308 5.904 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.449 7.602 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -12.546 7.193 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.549 5.084 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -13.846 6.334 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -15.613 6.170 -2.191 1.00 0.00 H new ATOM 1012 N THR B 9 -14.794 10.691 -1.203 1.00 0.00 N ATOM 1013 CA THR B 9 -15.162 12.013 -0.711 1.00 0.00 C ATOM 1014 C THR B 9 -14.003 12.681 0.024 1.00 0.00 C ATOM 1015 O THR B 9 -13.721 13.861 -0.188 1.00 0.00 O ATOM 1016 CB THR B 9 -16.384 11.947 0.226 1.00 0.00 C ATOM 1017 OG1 THR B 9 -16.680 13.250 0.740 1.00 0.00 O ATOM 1018 CG2 THR B 9 -16.138 10.983 1.378 1.00 0.00 C ATOM 0 H THR B 9 -15.242 9.918 -0.710 1.00 0.00 H new ATOM 0 HA THR B 9 -15.417 12.609 -1.587 1.00 0.00 H new ATOM 0 HB THR B 9 -17.234 11.584 -0.351 1.00 0.00 H new ATOM 0 HG1 THR B 9 -17.459 13.199 1.333 1.00 0.00 H new ATOM 0 HG21 THR B 9 -17.016 10.956 2.023 1.00 0.00 H new ATOM 0 HG22 THR B 9 -15.947 9.985 0.983 1.00 0.00 H new ATOM 0 HG23 THR B 9 -15.275 11.317 1.954 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.336 11.925 0.891 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.219 12.471 1.641 1.00 0.00 C ATOM 1028 C GLY B 10 -11.961 11.725 2.936 1.00 0.00 C ATOM 1029 O GLY B 10 -10.812 11.571 3.351 1.00 0.00 O ATOM 0 H GLY B 10 -13.548 10.947 1.087 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.322 12.438 1.023 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.415 13.520 1.864 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.034 11.273 3.580 1.00 0.00 N ATOM 1034 CA LYS B 11 -12.927 10.549 4.844 1.00 0.00 C ATOM 1035 C LYS B 11 -11.907 9.420 4.755 1.00 0.00 C ATOM 1036 O LYS B 11 -11.942 8.607 3.832 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.285 9.973 5.246 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.249 9.199 6.555 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.562 8.480 6.817 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.551 7.771 8.161 1.00 0.00 C ATOM 1041 NZ LYS B 11 -16.839 7.075 8.433 1.00 0.00 N ATOM 0 H LYS B 11 -13.990 11.396 3.246 1.00 0.00 H new ATOM 0 HA LYS B 11 -12.593 11.260 5.600 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.005 10.787 5.333 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.642 9.315 4.453 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -13.436 8.474 6.527 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -14.038 9.883 7.377 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -16.382 9.197 6.790 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.746 7.755 6.024 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -14.736 7.048 8.183 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -15.356 8.495 8.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -16.790 6.604 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.614 7.768 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -17.013 6.366 7.693 1.00 0.00 H new ATOM 1055 N THR B 12 -11.008 9.370 5.730 1.00 0.00 N ATOM 1056 CA THR B 12 -9.986 8.334 5.777 1.00 0.00 C ATOM 1057 C THR B 12 -10.550 7.060 6.389 1.00 0.00 C ATOM 1058 O THR B 12 -11.322 7.113 7.348 1.00 0.00 O ATOM 1059 CB THR B 12 -8.774 8.777 6.607 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.295 10.044 6.143 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.655 7.748 6.526 1.00 0.00 C ATOM 0 H THR B 12 -10.967 10.037 6.500 1.00 0.00 H new ATOM 0 HA THR B 12 -9.668 8.150 4.751 1.00 0.00 H new ATOM 0 HB THR B 12 -9.090 8.867 7.646 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.523 10.318 6.680 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.807 8.085 7.122 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.011 6.792 6.909 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.344 7.629 5.488 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.162 5.916 5.843 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.637 4.641 6.355 1.00 0.00 C ATOM 1071 C ILE B 13 -9.499 3.793 6.901 1.00 0.00 C ATOM 1072 O ILE B 13 -8.478 3.593 6.243 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.392 3.849 5.277 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.587 3.813 3.977 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.761 4.464 5.052 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.215 2.962 2.896 1.00 0.00 C ATOM 0 H ILE B 13 -9.524 5.846 5.051 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.322 4.871 7.171 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.525 2.822 5.616 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.470 4.831 3.604 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.587 3.435 4.190 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.292 3.899 4.286 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -13.329 4.438 5.982 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.646 5.498 4.726 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.588 2.985 2.005 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.307 1.935 3.249 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.204 3.352 2.654 1.00 0.00 H new ATOM 1088 N THR B 14 -9.693 3.293 8.115 1.00 0.00 N ATOM 1089 CA THR B 14 -8.702 2.455 8.773 1.00 0.00 C ATOM 1090 C THR B 14 -9.203 1.028 8.923 1.00 0.00 C ATOM 1091 O THR B 14 -10.357 0.798 9.284 1.00 0.00 O ATOM 1092 CB THR B 14 -8.329 2.997 10.165 1.00 0.00 C ATOM 1093 OG1 THR B 14 -9.486 3.542 10.809 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.241 4.054 10.066 1.00 0.00 C ATOM 0 H THR B 14 -10.535 3.456 8.667 1.00 0.00 H new ATOM 0 HA THR B 14 -7.816 2.468 8.138 1.00 0.00 H new ATOM 0 HB THR B 14 -7.946 2.168 10.760 1.00 0.00 H new ATOM 0 HG1 THR B 14 -9.238 3.882 11.694 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.997 4.420 11.063 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.351 3.619 9.611 1.00 0.00 H new ATOM 0 HG23 THR B 14 -7.594 4.883 9.452 1.00 0.00 H new ATOM 1102 N LEU B 15 -8.323 0.071 8.657 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.674 -1.335 8.775 1.00 0.00 C ATOM 1104 C LEU B 15 -7.406 -2.188 8.833 1.00 0.00 C ATOM 1105 O LEU B 15 -6.590 -2.181 7.913 1.00 0.00 O ATOM 1106 CB LEU B 15 -9.591 -1.756 7.611 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.912 -1.967 6.254 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -8.394 -3.390 6.141 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -9.883 -1.683 5.121 1.00 0.00 C ATOM 0 H LEU B 15 -7.363 0.244 8.359 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.225 -1.493 9.702 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.094 -2.682 7.889 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -10.364 -0.997 7.492 1.00 0.00 H new ATOM 0 HG LEU B 15 -8.074 -1.274 6.180 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.914 -3.527 5.172 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.670 -3.578 6.934 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.225 -4.088 6.235 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.382 -1.838 4.165 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.737 -2.356 5.197 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.227 -0.651 5.187 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.236 -2.898 9.941 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.064 -3.741 10.146 1.00 0.00 C ATOM 1123 C GLU B 16 -6.088 -4.973 9.244 1.00 0.00 C ATOM 1124 O GLU B 16 -7.150 -5.523 8.951 1.00 0.00 O ATOM 1125 CB GLU B 16 -5.965 -4.165 11.613 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.027 -5.165 12.056 1.00 0.00 C ATOM 1127 CD GLU B 16 -8.447 -4.643 11.926 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -8.933 -4.509 10.783 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -9.075 -4.368 12.970 1.00 0.00 O ATOM 0 H GLU B 16 -7.899 -2.907 10.716 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.186 -3.152 9.881 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -4.980 -4.599 11.787 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -6.037 -3.277 12.240 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -6.928 -6.074 11.463 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -6.844 -5.440 13.095 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.902 -5.399 8.812 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.763 -6.567 7.946 1.00 0.00 C ATOM 1138 C VAL B 17 -3.423 -7.257 8.164 1.00 0.00 C ATOM 1139 O VAL B 17 -2.400 -6.600 8.364 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.883 -6.196 6.456 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.315 -5.873 6.090 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -3.971 -5.033 6.121 1.00 0.00 C ATOM 0 H VAL B 17 -4.018 -4.949 9.050 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.576 -7.243 8.212 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.572 -7.059 5.868 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.371 -5.615 5.033 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.945 -6.741 6.285 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.662 -5.031 6.688 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.070 -4.786 5.064 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.248 -4.168 6.724 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.938 -5.308 6.334 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.437 -8.583 8.122 1.00 0.00 N ATOM 1153 CA GLU B 18 -2.223 -9.369 8.312 1.00 0.00 C ATOM 1154 C GLU B 18 -1.256 -9.161 7.149 1.00 0.00 C ATOM 1155 O GLU B 18 -1.675 -9.037 5.998 1.00 0.00 O ATOM 1156 CB GLU B 18 -2.569 -10.853 8.445 1.00 0.00 C ATOM 1157 CG GLU B 18 -3.592 -11.146 9.531 1.00 0.00 C ATOM 1158 CD GLU B 18 -3.078 -10.844 10.927 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -1.913 -10.416 11.054 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -3.841 -11.043 11.895 1.00 0.00 O ATOM 0 H GLU B 18 -4.277 -9.138 7.958 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.739 -9.033 9.229 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.951 -11.215 7.491 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.658 -11.412 8.656 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -4.490 -10.557 9.345 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.882 -12.195 9.476 1.00 0.00 H new ATOM 1167 N PRO B 19 0.056 -9.126 7.435 1.00 0.00 N ATOM 1168 CA PRO B 19 1.088 -8.938 6.408 1.00 0.00 C ATOM 1169 C PRO B 19 1.010 -9.996 5.318 1.00 0.00 C ATOM 1170 O PRO B 19 1.252 -9.718 4.142 1.00 0.00 O ATOM 1171 CB PRO B 19 2.405 -9.083 7.178 1.00 0.00 C ATOM 1172 CG PRO B 19 2.041 -9.717 8.477 1.00 0.00 C ATOM 1173 CD PRO B 19 0.641 -9.272 8.775 1.00 0.00 C ATOM 0 HA PRO B 19 0.978 -7.979 5.901 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.116 -9.699 6.627 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.877 -8.113 7.334 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.100 -10.803 8.411 1.00 0.00 H new ATOM 0 HG3 PRO B 19 2.725 -9.408 9.267 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.102 -10.006 9.374 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.624 -8.333 9.329 1.00 0.00 H new ATOM 1181 N SER B 20 0.680 -11.212 5.726 1.00 0.00 N ATOM 1182 CA SER B 20 0.576 -12.334 4.806 1.00 0.00 C ATOM 1183 C SER B 20 -0.550 -12.119 3.801 1.00 0.00 C ATOM 1184 O SER B 20 -0.468 -12.578 2.661 1.00 0.00 O ATOM 1185 CB SER B 20 0.349 -13.622 5.592 1.00 0.00 C ATOM 1186 OG SER B 20 0.262 -14.743 4.728 1.00 0.00 O ATOM 0 H SER B 20 0.478 -11.448 6.698 1.00 0.00 H new ATOM 0 HA SER B 20 1.509 -12.412 4.248 1.00 0.00 H new ATOM 0 HB2 SER B 20 1.165 -13.768 6.300 1.00 0.00 H new ATOM 0 HB3 SER B 20 -0.568 -13.538 6.176 1.00 0.00 H new ATOM 0 HG SER B 20 0.118 -15.554 5.258 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.598 -11.421 4.226 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.734 -11.150 3.354 1.00 0.00 C ATOM 1194 C ASP B 21 -2.282 -10.480 2.060 1.00 0.00 C ATOM 1195 O ASP B 21 -1.530 -9.506 2.082 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.762 -10.271 4.068 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.505 -11.013 5.160 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -5.123 -12.053 4.856 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -4.481 -10.548 6.316 1.00 0.00 O ATOM 0 H ASP B 21 -1.684 -11.034 5.166 1.00 0.00 H new ATOM 0 HA ASP B 21 -3.199 -12.104 3.104 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.258 -9.406 4.500 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.478 -9.891 3.340 1.00 0.00 H new ATOM 1204 N THR B 22 -2.749 -11.014 0.935 1.00 0.00 N ATOM 1205 CA THR B 22 -2.399 -10.480 -0.375 1.00 0.00 C ATOM 1206 C THR B 22 -2.905 -9.054 -0.550 1.00 0.00 C ATOM 1207 O THR B 22 -3.942 -8.681 -0.003 1.00 0.00 O ATOM 1208 CB THR B 22 -2.968 -11.353 -1.508 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.392 -11.448 -1.387 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.355 -12.743 -1.474 1.00 0.00 C ATOM 0 H THR B 22 -3.374 -11.820 0.906 1.00 0.00 H new ATOM 0 HA THR B 22 -1.310 -10.483 -0.430 1.00 0.00 H new ATOM 0 HB THR B 22 -2.718 -10.885 -2.460 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.746 -12.004 -2.113 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.771 -13.344 -2.283 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.275 -12.667 -1.596 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.579 -13.216 -0.518 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.164 -8.262 -1.321 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.537 -6.876 -1.577 1.00 0.00 C ATOM 1220 C ILE B 23 -3.960 -6.790 -2.123 1.00 0.00 C ATOM 1221 O ILE B 23 -4.736 -5.925 -1.728 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.572 -6.204 -2.574 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.145 -6.206 -2.020 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.029 -4.783 -2.878 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.876 -5.590 -2.955 1.00 0.00 C ATOM 0 H ILE B 23 -1.302 -8.558 -1.779 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.479 -6.349 -0.625 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.579 -6.773 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.132 -5.664 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.149 -7.233 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.338 -4.322 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.028 -4.807 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.048 -4.202 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.862 -5.628 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.893 -6.146 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.608 -4.552 -3.153 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.295 -7.698 -3.031 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.625 -7.729 -3.626 1.00 0.00 C ATOM 1239 C GLU B 24 -6.689 -8.009 -2.569 1.00 0.00 C ATOM 1240 O GLU B 24 -7.833 -7.570 -2.693 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.690 -8.789 -4.728 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.386 -10.195 -4.238 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.456 -11.228 -5.347 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.537 -11.371 -5.957 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -4.430 -11.891 -5.605 1.00 0.00 O ATOM 0 H GLU B 24 -3.664 -8.423 -3.372 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.823 -6.750 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.684 -8.776 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -4.983 -8.527 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.392 -10.213 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.093 -10.463 -3.452 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.306 -8.749 -1.532 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.227 -9.098 -0.457 1.00 0.00 C ATOM 1254 C ASN B 25 -7.573 -7.876 0.388 1.00 0.00 C ATOM 1255 O ASN B 25 -8.745 -7.605 0.652 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.618 -10.187 0.428 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.620 -10.769 1.407 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -8.188 -10.054 2.231 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.839 -12.076 1.321 1.00 0.00 N ATOM 0 H ASN B 25 -5.363 -9.118 -1.414 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.145 -9.474 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.225 -10.985 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.775 -9.772 0.980 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.501 -12.525 1.954 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.345 -12.631 0.622 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.547 -7.142 0.813 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.750 -5.952 1.630 1.00 0.00 C ATOM 1268 C VAL B 26 -7.547 -4.894 0.874 1.00 0.00 C ATOM 1269 O VAL B 26 -8.433 -4.251 1.437 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.411 -5.350 2.103 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.660 -6.339 2.979 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.556 -4.920 0.923 1.00 0.00 C ATOM 0 H VAL B 26 -5.570 -7.351 0.605 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.317 -6.265 2.507 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.632 -4.463 2.696 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.718 -5.896 3.303 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.265 -6.584 3.852 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.458 -7.247 2.411 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.619 -4.500 1.287 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.346 -5.784 0.292 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.090 -4.168 0.342 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.232 -4.724 -0.406 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.924 -3.752 -1.245 1.00 0.00 C ATOM 1284 C LYS B 27 -9.406 -4.092 -1.347 1.00 0.00 C ATOM 1285 O LYS B 27 -10.260 -3.205 -1.359 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.301 -3.715 -2.641 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.831 -3.326 -2.639 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.227 -3.392 -4.033 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.875 -2.391 -4.976 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.282 -2.448 -6.340 1.00 0.00 N ATOM 0 H LYS B 27 -6.500 -5.248 -0.886 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.821 -2.769 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.408 -4.696 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.855 -3.008 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.723 -2.316 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.280 -3.990 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.156 -3.196 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -5.346 -4.399 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.945 -2.590 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.760 -1.385 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.926 -1.993 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.369 -1.950 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.136 -3.441 -6.614 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.699 -5.385 -1.428 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.073 -5.858 -1.537 1.00 0.00 C ATOM 1306 C ALA B 28 -11.913 -5.422 -0.339 1.00 0.00 C ATOM 1307 O ALA B 28 -13.096 -5.115 -0.484 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.098 -7.369 -1.688 1.00 0.00 C ATOM 0 H ALA B 28 -8.999 -6.127 -1.420 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.513 -5.408 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.130 -7.710 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.551 -7.654 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.631 -7.829 -0.817 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.300 -5.389 0.843 1.00 0.00 N ATOM 1315 CA LYS B 29 -12.006 -4.980 2.050 1.00 0.00 C ATOM 1316 C LYS B 29 -12.460 -3.541 1.907 1.00 0.00 C ATOM 1317 O LYS B 29 -13.576 -3.189 2.284 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.106 -5.112 3.279 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.372 -6.437 3.362 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.607 -6.562 4.670 1.00 0.00 C ATOM 1321 CE LYS B 29 -8.843 -7.874 4.753 1.00 0.00 C ATOM 1322 NZ LYS B 29 -7.783 -7.966 3.713 1.00 0.00 N ATOM 0 H LYS B 29 -10.322 -5.639 0.988 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.870 -5.631 2.183 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.376 -4.303 3.271 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.712 -4.986 4.176 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.085 -7.257 3.275 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.681 -6.526 2.524 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.910 -5.729 4.765 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.303 -6.493 5.506 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.392 -7.969 5.741 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.537 -8.706 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.768 -8.928 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -7.981 -7.283 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -6.859 -7.752 4.139 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.582 -2.720 1.343 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.884 -1.318 1.124 1.00 0.00 C ATOM 1338 C ILE B 30 -13.175 -1.184 0.326 1.00 0.00 C ATOM 1339 O ILE B 30 -13.945 -0.245 0.523 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.729 -0.607 0.394 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.448 -0.697 1.231 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -11.091 0.846 0.114 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.255 -0.007 0.606 1.00 0.00 C ATOM 0 H ILE B 30 -10.654 -3.006 1.030 1.00 0.00 H new ATOM 0 HA ILE B 30 -12.011 -0.840 2.095 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.556 -1.102 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.635 -0.259 2.212 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.204 -1.747 1.392 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.264 1.334 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.983 0.885 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.285 1.360 1.055 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.389 -0.116 1.259 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -8.039 -0.459 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.477 1.052 0.470 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.423 -2.157 -0.553 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.644 -2.169 -1.346 1.00 0.00 C ATOM 1357 C GLN B 31 -15.823 -2.294 -0.404 1.00 0.00 C ATOM 1358 O GLN B 31 -16.763 -1.504 -0.441 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.646 -3.350 -2.314 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.406 -3.443 -3.181 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.402 -4.692 -4.037 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -13.339 -5.811 -3.528 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -13.485 -4.506 -5.344 1.00 0.00 N ATOM 0 H GLN B 31 -12.795 -2.941 -0.730 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.708 -1.248 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.747 -4.273 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.522 -3.276 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.346 -2.564 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.519 -3.436 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -13.535 -3.560 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -13.499 -5.308 -5.973 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.740 -3.288 0.469 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.773 -3.518 1.462 1.00 0.00 C ATOM 1374 C ASP B 32 -16.897 -2.282 2.342 1.00 0.00 C ATOM 1375 O ASP B 32 -17.976 -1.944 2.830 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.437 -4.746 2.311 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.509 -5.061 3.337 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -17.756 -4.213 4.221 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -18.104 -6.156 3.255 1.00 0.00 O ATOM 0 H ASP B 32 -14.964 -3.949 0.507 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.723 -3.706 0.961 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.301 -5.608 1.658 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.489 -4.581 2.822 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.763 -1.615 2.527 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.684 -0.405 3.331 1.00 0.00 C ATOM 1386 C LYS B 33 -16.392 0.765 2.651 1.00 0.00 C ATOM 1387 O LYS B 33 -16.945 1.637 3.321 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.216 -0.062 3.604 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.532 -1.032 4.557 1.00 0.00 C ATOM 1390 CD LYS B 33 -14.190 -1.034 5.930 1.00 0.00 C ATOM 1391 CE LYS B 33 -14.090 0.326 6.603 1.00 0.00 C ATOM 1392 NZ LYS B 33 -14.735 0.332 7.945 1.00 0.00 N ATOM 0 H LYS B 33 -14.872 -1.901 2.122 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.193 -0.588 4.278 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.672 -0.049 2.659 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.157 0.944 4.019 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.564 -2.037 4.137 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.481 -0.762 4.658 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -15.239 -1.315 5.831 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -13.716 -1.787 6.560 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.041 0.605 6.703 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -14.561 1.079 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -14.645 1.277 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -15.742 0.091 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.269 -0.368 8.557 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.374 0.781 1.319 1.00 0.00 N ATOM 1407 CA GLU B 34 -17.017 1.851 0.558 1.00 0.00 C ATOM 1408 C GLU B 34 -17.701 1.305 -0.694 1.00 0.00 C ATOM 1409 O GLU B 34 -18.919 1.418 -0.846 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.988 2.911 0.161 1.00 0.00 C ATOM 1411 CG GLU B 34 -15.400 3.671 1.340 1.00 0.00 C ATOM 1412 CD GLU B 34 -16.414 4.571 2.023 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.436 4.050 2.518 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -16.184 5.798 2.063 1.00 0.00 O ATOM 0 H GLU B 34 -15.923 0.068 0.746 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.776 2.304 1.196 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.179 2.430 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -16.457 3.622 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.006 2.959 2.065 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -14.560 4.274 0.996 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.915 0.709 -1.584 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.466 0.151 -2.807 1.00 0.00 C ATOM 1423 C GLY B 35 -16.762 0.664 -4.045 1.00 0.00 C ATOM 1424 O GLY B 35 -17.402 0.958 -5.055 1.00 0.00 O ATOM 0 H GLY B 35 -15.906 0.602 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.390 -0.936 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.527 0.395 -2.868 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.442 0.771 -3.969 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.649 1.252 -5.093 1.00 0.00 C ATOM 1430 C ILE B 36 -13.810 0.130 -5.691 1.00 0.00 C ATOM 1431 O ILE B 36 -13.193 -0.647 -4.962 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.705 2.406 -4.687 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.997 2.891 -3.263 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.830 3.557 -5.670 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.486 1.961 -2.183 1.00 0.00 C ATOM 0 H ILE B 36 -14.897 0.531 -3.141 1.00 0.00 H new ATOM 0 HA ILE B 36 -15.360 1.620 -5.832 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.683 2.027 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.548 3.874 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -15.074 3.013 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.160 4.364 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.563 3.213 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.857 3.922 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.730 2.372 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.954 0.983 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.405 1.858 -2.274 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.770 0.031 -7.032 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.993 -1.002 -7.721 1.00 0.00 C ATOM 1449 C PRO B 37 -11.545 -1.045 -7.235 1.00 0.00 C ATOM 1450 O PRO B 37 -10.955 -0.009 -6.927 1.00 0.00 O ATOM 1451 CB PRO B 37 -13.058 -0.577 -9.188 1.00 0.00 C ATOM 1452 CG PRO B 37 -14.318 0.210 -9.296 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.474 0.917 -7.978 1.00 0.00 C ATOM 0 HA PRO B 37 -13.386 -2.003 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -12.191 0.023 -9.466 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -13.073 -1.442 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -14.264 0.923 -10.118 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -15.170 -0.441 -9.494 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -14.032 1.913 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.523 1.040 -7.709 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.955 -2.249 -7.151 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.574 -2.425 -6.688 1.00 0.00 C ATOM 1463 C PRO B 38 -8.560 -1.702 -7.571 1.00 0.00 C ATOM 1464 O PRO B 38 -7.575 -1.154 -7.077 1.00 0.00 O ATOM 1465 CB PRO B 38 -9.353 -3.943 -6.751 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.719 -4.537 -6.787 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.587 -3.535 -7.491 1.00 0.00 C ATOM 0 HA PRO B 38 -9.432 -2.004 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.780 -4.221 -7.635 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.793 -4.295 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.716 -5.490 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.086 -4.732 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.605 -3.703 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.619 -3.581 -7.144 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.804 -1.706 -8.878 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.905 -1.053 -9.822 1.00 0.00 C ATOM 1477 C ASP B 39 -7.792 0.438 -9.532 1.00 0.00 C ATOM 1478 O ASP B 39 -6.711 1.018 -9.636 1.00 0.00 O ATOM 1479 CB ASP B 39 -8.383 -1.273 -11.259 1.00 0.00 C ATOM 1480 CG ASP B 39 -9.782 -0.742 -11.496 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -10.722 -1.239 -10.842 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -9.937 0.171 -12.332 1.00 0.00 O ATOM 0 H ASP B 39 -9.615 -2.153 -9.306 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.918 -1.500 -9.705 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.692 -0.785 -11.946 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -8.360 -2.339 -11.487 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.913 1.056 -9.169 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.928 2.479 -8.868 1.00 0.00 C ATOM 1489 C GLN B 40 -8.056 2.788 -7.653 1.00 0.00 C ATOM 1490 O GLN B 40 -7.353 3.797 -7.621 1.00 0.00 O ATOM 1491 CB GLN B 40 -10.362 2.957 -8.639 1.00 0.00 C ATOM 1492 CG GLN B 40 -11.247 2.800 -9.867 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.673 3.271 -9.644 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -13.492 3.249 -10.562 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.983 3.690 -8.423 1.00 0.00 N ATOM 0 H GLN B 40 -9.817 0.593 -9.077 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.515 3.015 -9.723 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.797 2.398 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -10.346 4.006 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.812 3.361 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.260 1.752 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.274 3.692 -7.689 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.930 4.009 -8.218 1.00 0.00 H new ATOM 1504 N GLN B 41 -8.103 1.906 -6.662 1.00 0.00 N ATOM 1505 CA GLN B 41 -7.314 2.069 -5.444 1.00 0.00 C ATOM 1506 C GLN B 41 -5.821 2.085 -5.765 1.00 0.00 C ATOM 1507 O GLN B 41 -5.368 1.387 -6.672 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.630 0.937 -4.467 1.00 0.00 C ATOM 1509 CG GLN B 41 -9.092 0.888 -4.056 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.435 -0.354 -3.256 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -8.833 -0.623 -2.217 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.410 -1.116 -3.737 1.00 0.00 N ATOM 0 H GLN B 41 -8.682 1.066 -6.677 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.575 3.023 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -7.356 -0.014 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.013 1.053 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -9.329 1.773 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -9.717 0.924 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.882 -0.854 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.687 -1.963 -3.241 1.00 0.00 H new ATOM 1521 N ARG B 42 -5.059 2.885 -5.021 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.623 2.984 -5.240 1.00 0.00 C ATOM 1523 C ARG B 42 -2.852 3.009 -3.928 1.00 0.00 C ATOM 1524 O ARG B 42 -2.954 3.963 -3.159 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.282 4.245 -6.036 1.00 0.00 C ATOM 1526 CG ARG B 42 -3.854 4.266 -7.443 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.378 5.492 -8.209 1.00 0.00 C ATOM 1528 NE ARG B 42 -3.887 5.523 -9.578 1.00 0.00 N ATOM 1529 CZ ARG B 42 -5.176 5.644 -9.888 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -6.084 5.764 -8.929 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -5.555 5.650 -11.158 1.00 0.00 N ATOM 0 H ARG B 42 -5.413 3.471 -4.265 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.329 2.099 -5.804 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.651 5.115 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.198 4.342 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.555 3.362 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.943 4.262 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.698 6.392 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.288 5.505 -8.229 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.215 5.447 -10.342 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -5.796 5.764 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -7.071 5.857 -9.170 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -4.859 5.562 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -6.543 5.743 -11.395 1.00 0.00 H new ATOM 1545 N LEU B 43 -2.056 1.969 -3.693 1.00 0.00 N ATOM 1546 CA LEU B 43 -1.244 1.889 -2.485 1.00 0.00 C ATOM 1547 C LEU B 43 0.000 2.765 -2.604 1.00 0.00 C ATOM 1548 O LEU B 43 0.567 2.915 -3.687 1.00 0.00 O ATOM 1549 CB LEU B 43 -0.854 0.436 -2.176 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.598 -0.470 -3.387 1.00 0.00 C ATOM 1551 CD1 LEU B 43 0.485 0.099 -4.287 1.00 0.00 C ATOM 1552 CD2 LEU B 43 -0.215 -1.867 -2.923 1.00 0.00 C ATOM 0 H LEU B 43 -1.957 1.172 -4.322 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.846 2.262 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.045 0.446 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.646 -0.011 -1.576 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.520 -0.524 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU B 43 0.641 -0.568 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.179 1.081 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU B 43 1.414 0.193 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.035 -2.502 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.690 -1.814 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.025 -2.287 -2.327 1.00 0.00 H new ATOM 1564 N ILE B 44 0.415 3.349 -1.486 1.00 0.00 N ATOM 1565 CA ILE B 44 1.587 4.214 -1.462 1.00 0.00 C ATOM 1566 C ILE B 44 2.381 4.022 -0.177 1.00 0.00 C ATOM 1567 O ILE B 44 1.950 4.434 0.898 1.00 0.00 O ATOM 1568 CB ILE B 44 1.194 5.697 -1.591 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.599 5.968 -2.974 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.400 6.592 -1.337 1.00 0.00 C ATOM 1571 CD1 ILE B 44 0.147 7.397 -3.172 1.00 0.00 C ATOM 0 H ILE B 44 -0.045 3.238 -0.582 1.00 0.00 H new ATOM 0 HA ILE B 44 2.205 3.935 -2.315 1.00 0.00 H new ATOM 0 HB ILE B 44 0.438 5.925 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.341 5.723 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.250 5.303 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE B 44 2.104 7.637 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.781 6.413 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.179 6.368 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.263 7.513 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -0.619 7.642 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.997 8.068 -3.048 1.00 0.00 H new ATOM 1583 N PHE B 45 3.546 3.395 -0.299 1.00 0.00 N ATOM 1584 CA PHE B 45 4.408 3.145 0.847 1.00 0.00 C ATOM 1585 C PHE B 45 5.257 4.373 1.163 1.00 0.00 C ATOM 1586 O PHE B 45 5.669 5.100 0.260 1.00 0.00 O ATOM 1587 CB PHE B 45 5.307 1.932 0.589 1.00 0.00 C ATOM 1588 CG PHE B 45 4.552 0.686 0.214 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.850 0.614 -0.981 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.540 -0.413 1.058 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.154 -0.528 -1.325 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.845 -1.558 0.718 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.151 -1.616 -0.474 1.00 0.00 C ATOM 0 H PHE B 45 3.915 3.050 -1.185 1.00 0.00 H new ATOM 0 HA PHE B 45 3.774 2.933 1.708 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.009 2.175 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.898 1.733 1.483 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.848 1.462 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.080 -0.374 1.992 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.613 -0.570 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.845 -2.408 1.385 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.607 -2.510 -0.741 1.00 0.00 H new ATOM 1603 N ALA B 46 5.515 4.602 2.448 1.00 0.00 N ATOM 1604 CA ALA B 46 6.318 5.747 2.868 1.00 0.00 C ATOM 1605 C ALA B 46 6.931 5.516 4.245 1.00 0.00 C ATOM 1606 O ALA B 46 6.227 5.211 5.208 1.00 0.00 O ATOM 1607 CB ALA B 46 5.471 7.010 2.869 1.00 0.00 C ATOM 0 H ALA B 46 5.182 4.014 3.212 1.00 0.00 H new ATOM 0 HA ALA B 46 7.134 5.869 2.155 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.081 7.857 3.184 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.088 7.192 1.865 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.636 6.888 3.559 1.00 0.00 H new ATOM 1613 N GLY B 47 8.250 5.664 4.329 1.00 0.00 N ATOM 1614 CA GLY B 47 8.947 5.465 5.586 1.00 0.00 C ATOM 1615 C GLY B 47 8.668 6.560 6.599 1.00 0.00 C ATOM 1616 O GLY B 47 7.520 6.952 6.802 1.00 0.00 O ATOM 0 H GLY B 47 8.850 5.919 3.545 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.655 4.504 6.009 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.019 5.417 5.397 1.00 0.00 H new