USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 901 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 18 GLN : amide:sc= -2.59! K(o=-2.6!,f=-0.15) USER MOD Set 1.2: A 106 GLN : amide:sc= 0 K(o=-2.6,f=-0.15) USER MOD Set 2.1: A 79 CYS SG : rot -159:sc= -0.0398 USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=-0.04,f=-0.23) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.0224 X(o=-0.26,f=-0.58) USER MOD Set 3.2: A 62 TYR OH : rot -12:sc= -0.24 USER MOD Set 4.1: A 20 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.66) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 99 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.9!) USER MOD Set 6.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -37:sc= 0.191 USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.572 K(o=-0.57,f=-1.9) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 150:sc= -0.173 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0701) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 146:sc= -0.0986 (180deg=-0.42) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -136:sc= -1 (180deg=-2.14!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.696 K(o=-0.7,f=-2.1) USER MOD Single : A 77 SER OG : rot -73:sc= -0.686 USER MOD Single : A 78 ASN : amide:sc= -1.6! K(o=-1.6!,f=-3.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 9:sc= -1.68 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -52:sc= 0.0358 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -120:sc= -3.16! (180deg=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.217 19.893 1.422 1.00 0.00 N ATOM 49 CA SER A 6 -0.014 19.205 2.692 1.00 0.00 C ATOM 50 C SER A 6 -1.230 18.356 3.051 1.00 0.00 C ATOM 51 O SER A 6 -1.115 17.152 3.276 1.00 0.00 O ATOM 52 CB SER A 6 0.261 20.218 3.807 1.00 0.00 C ATOM 53 OG SER A 6 -0.700 21.260 3.795 1.00 0.00 O ATOM 0 HA SER A 6 0.849 18.547 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.244 19.714 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.259 20.638 3.684 1.00 0.00 H new ATOM 0 HG SER A 6 -0.933 21.479 2.869 1.00 0.00 H new ATOM 59 N GLY A 7 -2.395 18.992 3.100 1.00 0.00 N ATOM 60 CA GLY A 7 -3.616 18.281 3.432 1.00 0.00 C ATOM 61 C GLY A 7 -3.658 16.891 2.830 1.00 0.00 C ATOM 62 O GLY A 7 -4.081 15.936 3.482 1.00 0.00 O ATOM 0 H GLY A 7 -2.516 19.988 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.707 18.207 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.474 18.853 3.078 1.00 0.00 H new ATOM 66 N PHE A 8 -3.219 16.774 1.581 1.00 0.00 N ATOM 67 CA PHE A 8 -3.211 15.491 0.889 1.00 0.00 C ATOM 68 C PHE A 8 -2.299 14.496 1.600 1.00 0.00 C ATOM 69 O PHE A 8 -2.637 13.320 1.744 1.00 0.00 O ATOM 70 CB PHE A 8 -2.756 15.672 -0.560 1.00 0.00 C ATOM 71 CG PHE A 8 -2.529 14.375 -1.285 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.598 13.657 -1.798 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.249 13.873 -1.450 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.392 12.464 -2.463 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.037 12.680 -2.115 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.111 11.975 -2.623 1.00 0.00 C ATOM 0 H PHE A 8 -2.864 17.553 1.027 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.227 15.096 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.505 16.253 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.833 16.252 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.603 14.034 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.406 14.420 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.233 11.914 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.034 12.300 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.949 11.043 -3.144 1.00 0.00 H new ATOM 86 N LEU A 9 -1.141 14.975 2.042 1.00 0.00 N ATOM 87 CA LEU A 9 -0.179 14.129 2.738 1.00 0.00 C ATOM 88 C LEU A 9 -0.810 13.485 3.968 1.00 0.00 C ATOM 89 O LEU A 9 -0.603 12.300 4.235 1.00 0.00 O ATOM 90 CB LEU A 9 1.047 14.947 3.149 1.00 0.00 C ATOM 91 CG LEU A 9 1.794 15.650 2.016 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.914 16.516 2.572 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.346 14.632 1.028 1.00 0.00 C ATOM 0 H LEU A 9 -0.846 15.945 1.930 1.00 0.00 H new ATOM 0 HA LEU A 9 0.132 13.338 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.731 15.700 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.745 14.286 3.662 1.00 0.00 H new ATOM 0 HG LEU A 9 1.091 16.295 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.435 17.009 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.495 17.269 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.616 15.892 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.875 15.151 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.034 13.962 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.525 14.054 0.605 1.00 0.00 H new ATOM 105 N ILE A 10 -1.581 14.271 4.713 1.00 0.00 N ATOM 106 CA ILE A 10 -2.243 13.776 5.911 1.00 0.00 C ATOM 107 C ILE A 10 -3.245 12.677 5.572 1.00 0.00 C ATOM 108 O ILE A 10 -3.426 11.729 6.337 1.00 0.00 O ATOM 109 CB ILE A 10 -2.974 14.907 6.659 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.964 15.885 7.263 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.875 14.332 7.742 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.514 16.961 6.299 1.00 0.00 C ATOM 0 H ILE A 10 -1.762 15.253 4.507 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.464 13.369 6.555 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.596 15.449 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.407 16.357 8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.092 15.328 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.384 15.144 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.614 13.672 7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.273 13.767 8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.799 17.618 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.042 16.499 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.377 17.543 5.975 1.00 0.00 H new ATOM 124 N LEU A 11 -3.892 12.809 4.420 1.00 0.00 N ATOM 125 CA LEU A 11 -4.874 11.826 3.977 1.00 0.00 C ATOM 126 C LEU A 11 -4.226 10.460 3.780 1.00 0.00 C ATOM 127 O LEU A 11 -4.824 9.427 4.086 1.00 0.00 O ATOM 128 CB LEU A 11 -5.532 12.285 2.674 1.00 0.00 C ATOM 129 CG LEU A 11 -6.528 11.309 2.046 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.705 11.073 2.977 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.007 11.831 0.699 1.00 0.00 C ATOM 0 H LEU A 11 -3.754 13.587 3.775 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.637 11.737 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.047 13.227 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.747 12.490 1.946 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.023 10.357 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.402 10.376 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.347 10.655 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.212 12.019 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.715 11.124 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.495 12.796 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.155 11.947 0.030 1.00 0.00 H new ATOM 143 N LEU A 12 -3.001 10.460 3.268 1.00 0.00 N ATOM 144 CA LEU A 12 -2.269 9.221 3.031 1.00 0.00 C ATOM 145 C LEU A 12 -1.866 8.566 4.350 1.00 0.00 C ATOM 146 O LEU A 12 -2.164 7.396 4.589 1.00 0.00 O ATOM 147 CB LEU A 12 -1.026 9.492 2.183 1.00 0.00 C ATOM 148 CG LEU A 12 -1.248 9.573 0.672 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.357 10.563 0.348 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.041 9.962 -0.036 1.00 0.00 C ATOM 0 H LEU A 12 -2.493 11.305 3.009 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.926 8.538 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.582 10.430 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.297 8.706 2.381 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.552 8.589 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.501 10.608 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.283 10.241 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.083 11.551 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.136 10.015 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.375 10.935 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.808 9.216 0.169 1.00 0.00 H new ATOM 162 N ARG A 13 -1.189 9.330 5.200 1.00 0.00 N ATOM 163 CA ARG A 13 -0.746 8.824 6.495 1.00 0.00 C ATOM 164 C ARG A 13 -1.903 8.173 7.248 1.00 0.00 C ATOM 165 O ARG A 13 -1.737 7.128 7.878 1.00 0.00 O ATOM 166 CB ARG A 13 -0.152 9.958 7.332 1.00 0.00 C ATOM 167 CG ARG A 13 1.109 10.559 6.734 1.00 0.00 C ATOM 168 CD ARG A 13 1.276 12.016 7.137 1.00 0.00 C ATOM 169 NE ARG A 13 2.577 12.548 6.741 1.00 0.00 N ATOM 170 CZ ARG A 13 3.033 13.737 7.121 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.295 14.513 7.904 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.227 14.151 6.718 1.00 0.00 N ATOM 0 H ARG A 13 -0.935 10.301 5.017 1.00 0.00 H new ATOM 0 HA ARG A 13 0.021 8.070 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.899 10.743 7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.073 9.582 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.977 9.988 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.070 10.483 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.486 12.612 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.160 12.109 8.217 1.00 0.00 H new ATOM 0 HE ARG A 13 3.169 11.975 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.376 14.197 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.646 15.425 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.796 13.557 6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.576 15.064 7.010 1.00 0.00 H new ATOM 186 N LYS A 14 -3.073 8.798 7.180 1.00 0.00 N ATOM 187 CA LYS A 14 -4.258 8.280 7.854 1.00 0.00 C ATOM 188 C LYS A 14 -4.786 7.036 7.147 1.00 0.00 C ATOM 189 O LYS A 14 -5.139 6.046 7.789 1.00 0.00 O ATOM 190 CB LYS A 14 -5.349 9.352 7.907 1.00 0.00 C ATOM 191 CG LYS A 14 -6.689 8.832 8.398 1.00 0.00 C ATOM 192 CD LYS A 14 -7.547 8.330 7.249 1.00 0.00 C ATOM 193 CE LYS A 14 -8.260 9.474 6.543 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.579 9.773 7.166 1.00 0.00 N ATOM 0 H LYS A 14 -3.226 9.665 6.665 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.977 8.006 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.021 10.160 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.477 9.778 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.527 8.025 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.216 9.625 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.922 7.793 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.282 7.619 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.634 10.366 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.403 9.220 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.033 10.558 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.186 8.930 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.440 10.040 8.161 1.00 0.00 H new ATOM 208 N THR A 15 -4.838 7.093 5.820 1.00 0.00 N ATOM 209 CA THR A 15 -5.324 5.971 5.026 1.00 0.00 C ATOM 210 C THR A 15 -4.468 4.730 5.247 1.00 0.00 C ATOM 211 O THR A 15 -4.973 3.675 5.635 1.00 0.00 O ATOM 212 CB THR A 15 -5.337 6.310 3.524 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.302 7.335 3.261 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.661 5.077 2.693 1.00 0.00 C ATOM 0 H THR A 15 -4.550 7.904 5.273 1.00 0.00 H new ATOM 0 HA THR A 15 -6.344 5.769 5.355 1.00 0.00 H new ATOM 0 HB THR A 15 -4.345 6.666 3.246 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.968 8.193 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.664 5.341 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.908 4.309 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.643 4.696 2.975 1.00 0.00 H new ATOM 222 N LEU A 16 -3.169 4.860 5.000 1.00 0.00 N ATOM 223 CA LEU A 16 -2.241 3.748 5.173 1.00 0.00 C ATOM 224 C LEU A 16 -2.626 2.901 6.381 1.00 0.00 C ATOM 225 O LEU A 16 -2.653 1.673 6.307 1.00 0.00 O ATOM 226 CB LEU A 16 -0.813 4.270 5.337 1.00 0.00 C ATOM 227 CG LEU A 16 0.259 3.217 5.619 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.424 2.289 4.426 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.583 3.883 5.966 1.00 0.00 C ATOM 0 H LEU A 16 -2.734 5.725 4.679 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.292 3.122 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.537 4.806 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.804 4.995 6.151 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.061 2.622 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.191 1.547 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.521 1.785 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.720 2.869 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.334 3.118 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.908 4.504 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.456 4.505 6.852 1.00 0.00 H new ATOM 241 N GLU A 17 -2.925 3.566 7.493 1.00 0.00 N ATOM 242 CA GLU A 17 -3.311 2.873 8.717 1.00 0.00 C ATOM 243 C GLU A 17 -4.536 1.995 8.483 1.00 0.00 C ATOM 244 O GLU A 17 -4.540 0.813 8.825 1.00 0.00 O ATOM 245 CB GLU A 17 -3.597 3.882 9.832 1.00 0.00 C ATOM 246 CG GLU A 17 -2.410 4.767 10.172 1.00 0.00 C ATOM 247 CD GLU A 17 -2.696 5.709 11.325 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.426 5.303 12.254 1.00 0.00 O ATOM 249 OE2 GLU A 17 -2.191 6.851 11.299 1.00 0.00 O ATOM 0 H GLU A 17 -2.907 4.583 7.571 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.481 2.234 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.435 4.512 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.906 3.343 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.555 4.140 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.132 5.349 9.293 1.00 0.00 H new ATOM 256 N GLN A 18 -5.574 2.584 7.897 1.00 0.00 N ATOM 257 CA GLN A 18 -6.807 1.856 7.618 1.00 0.00 C ATOM 258 C GLN A 18 -6.523 0.595 6.808 1.00 0.00 C ATOM 259 O GLN A 18 -7.336 -0.329 6.773 1.00 0.00 O ATOM 260 CB GLN A 18 -7.793 2.750 6.864 1.00 0.00 C ATOM 261 CG GLN A 18 -8.195 3.997 7.634 1.00 0.00 C ATOM 262 CD GLN A 18 -9.343 4.741 6.981 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.495 4.315 7.054 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.033 5.861 6.336 1.00 0.00 N ATOM 0 H GLN A 18 -5.586 3.562 7.607 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.249 1.562 8.570 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.348 3.047 5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.688 2.173 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.479 3.717 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.335 4.662 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.064 6.178 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.764 6.404 5.876 1.00 0.00 H new ATOM 273 N LEU A 19 -5.366 0.565 6.157 1.00 0.00 N ATOM 274 CA LEU A 19 -4.974 -0.583 5.346 1.00 0.00 C ATOM 275 C LEU A 19 -4.145 -1.569 6.163 1.00 0.00 C ATOM 276 O LEU A 19 -4.252 -2.782 5.981 1.00 0.00 O ATOM 277 CB LEU A 19 -4.179 -0.121 4.124 1.00 0.00 C ATOM 278 CG LEU A 19 -4.900 0.840 3.178 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.914 1.480 2.213 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.999 0.115 2.416 1.00 0.00 C ATOM 0 H LEU A 19 -4.683 1.322 6.174 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.881 -1.088 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.265 0.360 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.880 -1.002 3.556 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.358 1.629 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.446 2.161 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.163 2.035 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.426 0.704 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.501 0.815 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.563 -0.695 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.722 -0.295 3.122 1.00 0.00 H new ATOM 292 N GLN A 20 -3.322 -1.040 7.063 1.00 0.00 N ATOM 293 CA GLN A 20 -2.477 -1.875 7.908 1.00 0.00 C ATOM 294 C GLN A 20 -3.315 -2.652 8.919 1.00 0.00 C ATOM 295 O GLN A 20 -2.992 -3.788 9.263 1.00 0.00 O ATOM 296 CB GLN A 20 -1.444 -1.016 8.639 1.00 0.00 C ATOM 297 CG GLN A 20 -0.326 -0.513 7.740 1.00 0.00 C ATOM 298 CD GLN A 20 0.982 -0.324 8.484 1.00 0.00 C ATOM 299 OE1 GLN A 20 1.332 0.790 8.875 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.711 -1.415 8.684 1.00 0.00 N ATOM 0 H GLN A 20 -3.223 -0.038 7.225 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.959 -2.589 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.948 -0.162 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.011 -1.597 9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.176 -1.219 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.624 0.434 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.382 -2.318 8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.600 -1.350 9.179 1.00 0.00 H new ATOM 309 N GLU A 21 -4.393 -2.031 9.389 1.00 0.00 N ATOM 310 CA GLU A 21 -5.276 -2.665 10.360 1.00 0.00 C ATOM 311 C GLU A 21 -5.868 -3.955 9.797 1.00 0.00 C ATOM 312 O GLU A 21 -5.983 -4.958 10.502 1.00 0.00 O ATOM 313 CB GLU A 21 -6.400 -1.708 10.761 1.00 0.00 C ATOM 314 CG GLU A 21 -7.494 -1.580 9.714 1.00 0.00 C ATOM 315 CD GLU A 21 -8.617 -0.661 10.153 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.417 0.572 10.135 1.00 0.00 O ATOM 317 OE2 GLU A 21 -9.696 -1.174 10.514 1.00 0.00 O ATOM 0 H GLU A 21 -4.675 -1.090 9.113 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.686 -2.911 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.842 -2.052 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.975 -0.723 10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.062 -1.203 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.901 -2.567 9.497 1.00 0.00 H new ATOM 324 N LYS A 22 -6.243 -3.919 8.523 1.00 0.00 N ATOM 325 CA LYS A 22 -6.822 -5.083 7.863 1.00 0.00 C ATOM 326 C LYS A 22 -5.912 -6.298 8.006 1.00 0.00 C ATOM 327 O LYS A 22 -6.383 -7.433 8.078 1.00 0.00 O ATOM 328 CB LYS A 22 -7.066 -4.786 6.381 1.00 0.00 C ATOM 329 CG LYS A 22 -7.956 -3.579 6.142 1.00 0.00 C ATOM 330 CD LYS A 22 -9.336 -3.773 6.748 1.00 0.00 C ATOM 331 CE LYS A 22 -10.305 -2.698 6.283 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.707 -3.007 6.678 1.00 0.00 N ATOM 0 H LYS A 22 -6.156 -3.096 7.927 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.774 -5.306 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.107 -4.623 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.520 -5.660 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.491 -2.692 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.050 -3.402 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.721 -4.755 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.263 -3.753 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.012 -1.737 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.246 -2.600 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.337 -2.250 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.996 -3.912 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.769 -3.075 7.714 1.00 0.00 H new ATOM 346 N ASP A 23 -4.606 -6.053 8.047 1.00 0.00 N ATOM 347 CA ASP A 23 -3.631 -7.128 8.183 1.00 0.00 C ATOM 348 C ASP A 23 -3.482 -7.544 9.644 1.00 0.00 C ATOM 349 O ASP A 23 -2.553 -7.119 10.331 1.00 0.00 O ATOM 350 CB ASP A 23 -2.276 -6.690 7.624 1.00 0.00 C ATOM 351 CG ASP A 23 -1.303 -7.844 7.495 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.758 -8.979 7.247 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.084 -7.613 7.642 1.00 0.00 O ATOM 0 H ASP A 23 -4.199 -5.120 7.988 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.990 -7.986 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.421 -6.230 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.847 -5.928 8.275 1.00 0.00 H new ATOM 358 N THR A 24 -4.405 -8.378 10.113 1.00 0.00 N ATOM 359 CA THR A 24 -4.377 -8.850 11.492 1.00 0.00 C ATOM 360 C THR A 24 -3.114 -9.654 11.773 1.00 0.00 C ATOM 361 O THR A 24 -2.588 -9.633 12.885 1.00 0.00 O ATOM 362 CB THR A 24 -5.608 -9.721 11.812 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.587 -10.910 11.013 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.895 -8.953 11.555 1.00 0.00 C ATOM 0 H THR A 24 -5.181 -8.740 9.559 1.00 0.00 H new ATOM 0 HA THR A 24 -4.390 -7.966 12.129 1.00 0.00 H new ATOM 0 HB THR A 24 -5.571 -9.992 12.867 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.371 -11.459 11.223 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.750 -9.588 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.920 -8.064 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.938 -8.656 10.507 1.00 0.00 H new ATOM 372 N GLY A 25 -2.629 -10.362 10.757 1.00 0.00 N ATOM 373 CA GLY A 25 -1.429 -11.162 10.916 1.00 0.00 C ATOM 374 C GLY A 25 -0.167 -10.321 10.923 1.00 0.00 C ATOM 375 O GLY A 25 0.864 -10.741 11.445 1.00 0.00 O ATOM 0 H GLY A 25 -3.046 -10.396 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.492 -11.725 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.372 -11.890 10.107 1.00 0.00 H new ATOM 379 N ASN A 26 -0.250 -9.129 10.340 1.00 0.00 N ATOM 380 CA ASN A 26 0.895 -8.228 10.280 1.00 0.00 C ATOM 381 C ASN A 26 2.037 -8.850 9.482 1.00 0.00 C ATOM 382 O ASN A 26 3.207 -8.704 9.835 1.00 0.00 O ATOM 383 CB ASN A 26 1.374 -7.883 11.691 1.00 0.00 C ATOM 384 CG ASN A 26 0.225 -7.699 12.663 1.00 0.00 C ATOM 385 OD1 ASN A 26 -0.175 -8.638 13.352 1.00 0.00 O ATOM 386 ND2 ASN A 26 -0.312 -6.486 12.723 1.00 0.00 N ATOM 0 H ASN A 26 -1.097 -8.765 9.903 1.00 0.00 H new ATOM 0 HA ASN A 26 0.579 -7.314 9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.029 -8.675 12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.967 -6.969 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.088 -6.303 13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.052 -5.737 12.133 1.00 0.00 H new ATOM 393 N ILE A 27 1.687 -9.544 8.403 1.00 0.00 N ATOM 394 CA ILE A 27 2.681 -10.187 7.554 1.00 0.00 C ATOM 395 C ILE A 27 3.412 -9.163 6.691 1.00 0.00 C ATOM 396 O ILE A 27 4.631 -9.229 6.528 1.00 0.00 O ATOM 397 CB ILE A 27 2.040 -11.248 6.640 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.320 -12.306 7.478 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.097 -11.892 5.754 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.661 -13.386 6.648 1.00 0.00 C ATOM 0 H ILE A 27 0.723 -9.675 8.097 1.00 0.00 H new ATOM 0 HA ILE A 27 3.395 -10.675 8.218 1.00 0.00 H new ATOM 0 HB ILE A 27 1.306 -10.760 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.035 -12.767 8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.563 -11.818 8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.629 -12.640 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.568 -11.128 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.852 -12.370 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.170 -14.102 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.078 -12.936 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.416 -13.899 6.053 1.00 0.00 H new ATOM 412 N PHE A 28 2.659 -8.216 6.142 1.00 0.00 N ATOM 413 CA PHE A 28 3.235 -7.177 5.297 1.00 0.00 C ATOM 414 C PHE A 28 3.637 -5.960 6.126 1.00 0.00 C ATOM 415 O PHE A 28 4.265 -5.030 5.621 1.00 0.00 O ATOM 416 CB PHE A 28 2.239 -6.761 4.212 1.00 0.00 C ATOM 417 CG PHE A 28 1.443 -7.908 3.659 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.340 -8.396 4.342 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.796 -8.498 2.456 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.394 -9.452 3.836 1.00 0.00 C ATOM 421 CE2 PHE A 28 1.065 -9.554 1.944 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.031 -10.031 2.635 1.00 0.00 C ATOM 0 H PHE A 28 1.649 -8.147 6.267 1.00 0.00 H new ATOM 0 HA PHE A 28 4.129 -7.584 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.555 -6.019 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.781 -6.279 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.051 -7.946 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.653 -8.129 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.250 -9.824 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.351 -10.005 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.604 -10.856 2.237 1.00 0.00 H new ATOM 432 N SER A 29 3.269 -5.975 7.403 1.00 0.00 N ATOM 433 CA SER A 29 3.587 -4.873 8.303 1.00 0.00 C ATOM 434 C SER A 29 5.091 -4.614 8.336 1.00 0.00 C ATOM 435 O SER A 29 5.541 -3.581 8.830 1.00 0.00 O ATOM 436 CB SER A 29 3.080 -5.176 9.714 1.00 0.00 C ATOM 437 OG SER A 29 2.753 -3.984 10.406 1.00 0.00 O ATOM 0 H SER A 29 2.750 -6.738 7.838 1.00 0.00 H new ATOM 0 HA SER A 29 3.090 -3.978 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.202 -5.820 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.842 -5.724 10.268 1.00 0.00 H new ATOM 0 HG SER A 29 2.430 -4.205 11.304 1.00 0.00 H new ATOM 443 N GLU A 30 5.859 -5.559 7.805 1.00 0.00 N ATOM 444 CA GLU A 30 7.312 -5.435 7.774 1.00 0.00 C ATOM 445 C GLU A 30 7.877 -5.979 6.465 1.00 0.00 C ATOM 446 O GLU A 30 7.314 -6.881 5.844 1.00 0.00 O ATOM 447 CB GLU A 30 7.935 -6.175 8.958 1.00 0.00 C ATOM 448 CG GLU A 30 7.177 -5.986 10.261 1.00 0.00 C ATOM 449 CD GLU A 30 7.976 -6.430 11.471 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.768 -7.387 11.340 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.810 -5.821 12.548 1.00 0.00 O ATOM 0 H GLU A 30 5.500 -6.419 7.390 1.00 0.00 H new ATOM 0 HA GLU A 30 7.562 -4.376 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.983 -7.239 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.961 -5.832 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.910 -4.935 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.245 -6.549 10.219 1.00 0.00 H new ATOM 458 N PRO A 31 9.016 -5.417 6.034 1.00 0.00 N ATOM 459 CA PRO A 31 9.683 -5.830 4.796 1.00 0.00 C ATOM 460 C PRO A 31 10.295 -7.223 4.903 1.00 0.00 C ATOM 461 O PRO A 31 10.842 -7.593 5.942 1.00 0.00 O ATOM 462 CB PRO A 31 10.780 -4.778 4.615 1.00 0.00 C ATOM 463 CG PRO A 31 11.054 -4.277 5.992 1.00 0.00 C ATOM 464 CD PRO A 31 9.742 -4.338 6.724 1.00 0.00 C ATOM 0 HA PRO A 31 8.987 -5.889 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.674 -5.211 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.452 -3.972 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.806 -4.890 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.440 -3.258 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.882 -4.561 7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.205 -3.391 6.666 1.00 0.00 H new ATOM 472 N VAL A 32 10.198 -7.991 3.823 1.00 0.00 N ATOM 473 CA VAL A 32 10.744 -9.343 3.794 1.00 0.00 C ATOM 474 C VAL A 32 12.267 -9.320 3.754 1.00 0.00 C ATOM 475 O VAL A 32 12.881 -8.716 2.876 1.00 0.00 O ATOM 476 CB VAL A 32 10.221 -10.134 2.581 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.846 -11.520 2.537 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.702 -10.225 2.617 1.00 0.00 C ATOM 0 H VAL A 32 9.746 -7.700 2.956 1.00 0.00 H new ATOM 0 HA VAL A 32 10.415 -9.836 4.709 1.00 0.00 H new ATOM 0 HB VAL A 32 10.508 -9.603 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.464 -12.064 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.929 -11.428 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.593 -12.062 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.351 -10.787 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.389 -10.731 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.277 -9.222 2.594 1.00 0.00 H new ATOM 488 N PRO A 33 12.894 -9.996 4.729 1.00 0.00 N ATOM 489 CA PRO A 33 14.354 -10.070 4.827 1.00 0.00 C ATOM 490 C PRO A 33 14.969 -10.912 3.714 1.00 0.00 C ATOM 491 O PRO A 33 14.584 -12.064 3.508 1.00 0.00 O ATOM 492 CB PRO A 33 14.586 -10.732 6.188 1.00 0.00 C ATOM 493 CG PRO A 33 13.346 -11.519 6.442 1.00 0.00 C ATOM 494 CD PRO A 33 12.226 -10.740 5.810 1.00 0.00 C ATOM 0 HA PRO A 33 14.818 -9.089 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.466 -11.375 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.750 -9.988 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.421 -12.516 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.177 -11.648 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.448 -11.398 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.750 -10.069 6.525 1.00 0.00 H new ATOM 502 N LEU A 34 15.926 -10.332 2.999 1.00 0.00 N ATOM 503 CA LEU A 34 16.595 -11.029 1.906 1.00 0.00 C ATOM 504 C LEU A 34 17.286 -12.292 2.409 1.00 0.00 C ATOM 505 O LEU A 34 17.391 -13.284 1.686 1.00 0.00 O ATOM 506 CB LEU A 34 17.616 -10.108 1.235 1.00 0.00 C ATOM 507 CG LEU A 34 17.044 -8.900 0.494 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.159 -8.097 -0.158 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.027 -9.346 -0.547 1.00 0.00 C ATOM 0 H LEU A 34 16.257 -9.380 3.156 1.00 0.00 H new ATOM 0 HA LEU A 34 15.839 -11.316 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.307 -9.748 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.200 -10.699 0.529 1.00 0.00 H new ATOM 0 HG LEU A 34 16.538 -8.260 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.733 -7.241 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.851 -7.747 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.693 -8.727 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.630 -8.473 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.509 -10.007 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.212 -9.878 -0.055 1.00 0.00 H new ATOM 521 N SER A 35 17.753 -12.251 3.653 1.00 0.00 N ATOM 522 CA SER A 35 18.436 -13.392 4.251 1.00 0.00 C ATOM 523 C SER A 35 17.660 -14.682 4.000 1.00 0.00 C ATOM 524 O SER A 35 18.249 -15.739 3.776 1.00 0.00 O ATOM 525 CB SER A 35 18.612 -13.175 5.755 1.00 0.00 C ATOM 526 OG SER A 35 19.672 -13.968 6.263 1.00 0.00 O ATOM 0 H SER A 35 17.671 -11.440 4.266 1.00 0.00 H new ATOM 0 HA SER A 35 19.418 -13.482 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.814 -12.122 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.686 -13.425 6.273 1.00 0.00 H new ATOM 0 HG SER A 35 19.766 -13.811 7.226 1.00 0.00 H new ATOM 532 N GLU A 36 16.334 -14.585 4.039 1.00 0.00 N ATOM 533 CA GLU A 36 15.478 -15.744 3.817 1.00 0.00 C ATOM 534 C GLU A 36 15.121 -15.881 2.340 1.00 0.00 C ATOM 535 O GLU A 36 14.990 -16.989 1.821 1.00 0.00 O ATOM 536 CB GLU A 36 14.202 -15.631 4.653 1.00 0.00 C ATOM 537 CG GLU A 36 14.455 -15.606 6.151 1.00 0.00 C ATOM 538 CD GLU A 36 15.416 -16.691 6.597 1.00 0.00 C ATOM 539 OE1 GLU A 36 14.960 -17.832 6.820 1.00 0.00 O ATOM 540 OE2 GLU A 36 16.624 -16.399 6.726 1.00 0.00 O ATOM 0 H GLU A 36 15.831 -13.717 4.222 1.00 0.00 H new ATOM 0 HA GLU A 36 16.027 -16.634 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.670 -14.723 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.548 -16.471 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.856 -14.632 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.508 -15.725 6.678 1.00 0.00 H new ATOM 547 N VAL A 37 14.962 -14.745 1.668 1.00 0.00 N ATOM 548 CA VAL A 37 14.619 -14.737 0.250 1.00 0.00 C ATOM 549 C VAL A 37 15.713 -14.067 -0.575 1.00 0.00 C ATOM 550 O VAL A 37 15.668 -12.870 -0.857 1.00 0.00 O ATOM 551 CB VAL A 37 13.285 -14.010 -0.001 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.651 -14.491 -1.298 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.338 -14.215 1.173 1.00 0.00 C ATOM 0 H VAL A 37 15.065 -13.819 2.082 1.00 0.00 H new ATOM 0 HA VAL A 37 14.520 -15.778 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 37 13.484 -12.943 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.709 -13.966 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.326 -14.289 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.463 -15.563 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.400 -13.695 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.142 -15.280 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.792 -13.818 2.081 1.00 0.00 H new ATOM 563 N PRO A 38 16.721 -14.858 -0.973 1.00 0.00 N ATOM 564 CA PRO A 38 17.845 -14.363 -1.773 1.00 0.00 C ATOM 565 C PRO A 38 17.432 -14.007 -3.198 1.00 0.00 C ATOM 566 O PRO A 38 18.139 -13.281 -3.896 1.00 0.00 O ATOM 567 CB PRO A 38 18.822 -15.542 -1.779 1.00 0.00 C ATOM 568 CG PRO A 38 17.967 -16.743 -1.563 1.00 0.00 C ATOM 569 CD PRO A 38 16.841 -16.294 -0.674 1.00 0.00 C ATOM 0 HA PRO A 38 18.264 -13.445 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.361 -15.605 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.569 -15.441 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.587 -17.127 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.535 -17.548 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.917 -16.829 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.066 -16.468 0.378 1.00 0.00 H new ATOM 577 N ASP A 39 16.283 -14.522 -3.621 1.00 0.00 N ATOM 578 CA ASP A 39 15.774 -14.258 -4.961 1.00 0.00 C ATOM 579 C ASP A 39 14.477 -13.457 -4.902 1.00 0.00 C ATOM 580 O ASP A 39 13.613 -13.592 -5.769 1.00 0.00 O ATOM 581 CB ASP A 39 15.544 -15.570 -5.711 1.00 0.00 C ATOM 582 CG ASP A 39 16.641 -16.585 -5.454 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.814 -16.173 -5.339 1.00 0.00 O ATOM 584 OD2 ASP A 39 16.327 -17.791 -5.368 1.00 0.00 O ATOM 0 H ASP A 39 15.686 -15.125 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 39 16.519 -13.669 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.585 -15.993 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.484 -15.368 -6.780 1.00 0.00 H new ATOM 589 N TYR A 40 14.347 -12.626 -3.874 1.00 0.00 N ATOM 590 CA TYR A 40 13.154 -11.806 -3.699 1.00 0.00 C ATOM 591 C TYR A 40 12.935 -10.899 -4.905 1.00 0.00 C ATOM 592 O TYR A 40 11.847 -10.864 -5.482 1.00 0.00 O ATOM 593 CB TYR A 40 13.269 -10.965 -2.427 1.00 0.00 C ATOM 594 CG TYR A 40 12.127 -9.991 -2.239 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.807 -10.415 -2.326 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.369 -8.649 -1.974 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.760 -9.529 -2.156 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.329 -7.757 -1.800 1.00 0.00 C ATOM 599 CZ TYR A 40 10.027 -8.201 -1.893 1.00 0.00 C ATOM 600 OH TYR A 40 8.988 -7.316 -1.721 1.00 0.00 O ATOM 0 H TYR A 40 15.054 -12.502 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 40 12.296 -12.472 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.314 -11.630 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.207 -10.411 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.595 -11.454 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.388 -8.297 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.739 -9.874 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.535 -6.717 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 40 9.264 -6.603 -1.108 1.00 0.00 H new ATOM 610 N LEU A 41 13.977 -10.165 -5.282 1.00 0.00 N ATOM 611 CA LEU A 41 13.901 -9.257 -6.421 1.00 0.00 C ATOM 612 C LEU A 41 13.902 -10.030 -7.736 1.00 0.00 C ATOM 613 O LEU A 41 13.180 -9.684 -8.671 1.00 0.00 O ATOM 614 CB LEU A 41 15.073 -8.274 -6.393 1.00 0.00 C ATOM 615 CG LEU A 41 15.270 -7.500 -5.088 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.607 -6.775 -5.095 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.128 -6.518 -4.875 1.00 0.00 C ATOM 0 H LEU A 41 14.884 -10.181 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 41 12.966 -8.701 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.989 -8.825 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.938 -7.555 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 41 15.271 -8.210 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.730 -6.230 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.414 -7.500 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.637 -6.075 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.284 -5.976 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.096 -5.812 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.185 -7.062 -4.825 1.00 0.00 H new ATOM 629 N ASP A 42 14.715 -11.078 -7.799 1.00 0.00 N ATOM 630 CA ASP A 42 14.808 -11.902 -8.998 1.00 0.00 C ATOM 631 C ASP A 42 13.452 -12.016 -9.686 1.00 0.00 C ATOM 632 O ASP A 42 13.361 -11.969 -10.913 1.00 0.00 O ATOM 633 CB ASP A 42 15.332 -13.296 -8.645 1.00 0.00 C ATOM 634 CG ASP A 42 16.084 -13.940 -9.794 1.00 0.00 C ATOM 635 OD1 ASP A 42 16.780 -13.209 -10.531 1.00 0.00 O ATOM 636 OD2 ASP A 42 15.978 -15.173 -9.955 1.00 0.00 O ATOM 0 H ASP A 42 15.319 -11.377 -7.034 1.00 0.00 H new ATOM 0 HA ASP A 42 15.505 -11.422 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.990 -13.225 -7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.496 -13.934 -8.359 1.00 0.00 H new ATOM 641 N HIS A 43 12.400 -12.164 -8.888 1.00 0.00 N ATOM 642 CA HIS A 43 11.047 -12.284 -9.421 1.00 0.00 C ATOM 643 C HIS A 43 10.288 -10.968 -9.277 1.00 0.00 C ATOM 644 O HIS A 43 9.399 -10.663 -10.074 1.00 0.00 O ATOM 645 CB HIS A 43 10.291 -13.404 -8.704 1.00 0.00 C ATOM 646 CG HIS A 43 10.794 -14.774 -9.036 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.161 -15.611 -9.932 1.00 0.00 N ATOM 648 CD2 HIS A 43 11.877 -15.453 -8.590 1.00 0.00 C ATOM 649 CE1 HIS A 43 10.832 -16.746 -10.020 1.00 0.00 C ATOM 650 NE2 HIS A 43 11.878 -16.675 -9.215 1.00 0.00 N ATOM 0 H HIS A 43 12.458 -12.204 -7.870 1.00 0.00 H new ATOM 0 HA HIS A 43 11.120 -12.527 -10.481 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.365 -13.250 -7.628 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.234 -13.341 -8.963 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.605 -15.099 -7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.570 -17.588 -10.643 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.573 -17.409 -9.080 1.00 0.00 H new ATOM 659 N ILE A 44 10.643 -10.194 -8.257 1.00 0.00 N ATOM 660 CA ILE A 44 9.995 -8.913 -8.009 1.00 0.00 C ATOM 661 C ILE A 44 10.833 -7.760 -8.551 1.00 0.00 C ATOM 662 O ILE A 44 11.968 -7.546 -8.120 1.00 0.00 O ATOM 663 CB ILE A 44 9.745 -8.689 -6.506 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.738 -9.713 -5.977 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.248 -7.273 -6.257 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.545 -9.913 -6.884 1.00 0.00 C ATOM 0 H ILE A 44 11.376 -10.432 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 44 9.037 -8.939 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 44 10.686 -8.822 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.243 -10.669 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.388 -9.393 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.076 -7.130 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.995 -6.559 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.316 -7.114 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.874 -10.652 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.016 -8.968 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.884 -10.264 -7.859 1.00 0.00 H new ATOM 678 N LYS A 45 10.269 -7.017 -9.496 1.00 0.00 N ATOM 679 CA LYS A 45 10.961 -5.883 -10.095 1.00 0.00 C ATOM 680 C LYS A 45 10.942 -4.677 -9.161 1.00 0.00 C ATOM 681 O LYS A 45 11.960 -4.016 -8.961 1.00 0.00 O ATOM 682 CB LYS A 45 10.318 -5.515 -11.434 1.00 0.00 C ATOM 683 CG LYS A 45 10.874 -6.296 -12.611 1.00 0.00 C ATOM 684 CD LYS A 45 12.112 -5.630 -13.187 1.00 0.00 C ATOM 685 CE LYS A 45 12.960 -6.616 -13.977 1.00 0.00 C ATOM 686 NZ LYS A 45 13.709 -7.544 -13.085 1.00 0.00 N ATOM 0 H LYS A 45 9.332 -7.180 -9.864 1.00 0.00 H new ATOM 0 HA LYS A 45 11.998 -6.172 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.243 -5.686 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.461 -4.450 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.119 -7.309 -12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.112 -6.381 -13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.815 -4.805 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.706 -5.204 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.319 -7.192 -14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.664 -6.069 -14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.411 -8.071 -13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.195 -6.998 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.045 -8.212 -12.643 1.00 0.00 H new ATOM 700 N LYS A 46 9.775 -4.397 -8.589 1.00 0.00 N ATOM 701 CA LYS A 46 9.621 -3.273 -7.673 1.00 0.00 C ATOM 702 C LYS A 46 8.884 -3.699 -6.407 1.00 0.00 C ATOM 703 O LYS A 46 7.658 -3.625 -6.320 1.00 0.00 O ATOM 704 CB LYS A 46 8.866 -2.132 -8.356 1.00 0.00 C ATOM 705 CG LYS A 46 8.988 -0.802 -7.632 1.00 0.00 C ATOM 706 CD LYS A 46 8.150 0.277 -8.299 1.00 0.00 C ATOM 707 CE LYS A 46 7.683 1.320 -7.297 1.00 0.00 C ATOM 708 NZ LYS A 46 7.236 2.572 -7.967 1.00 0.00 N ATOM 0 H LYS A 46 8.922 -4.934 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 46 10.616 -2.926 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.240 -2.018 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.812 -2.399 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.671 -0.921 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.033 -0.492 -7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.734 0.760 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.285 -0.179 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.864 0.913 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.494 1.548 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.925 3.258 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.025 2.975 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.445 2.359 -8.608 1.00 0.00 H new ATOM 722 N PRO A 47 9.646 -4.155 -5.402 1.00 0.00 N ATOM 723 CA PRO A 47 9.086 -4.599 -4.123 1.00 0.00 C ATOM 724 C PRO A 47 8.524 -3.443 -3.303 1.00 0.00 C ATOM 725 O PRO A 47 8.962 -2.302 -3.441 1.00 0.00 O ATOM 726 CB PRO A 47 10.286 -5.227 -3.409 1.00 0.00 C ATOM 727 CG PRO A 47 11.475 -4.556 -4.005 1.00 0.00 C ATOM 728 CD PRO A 47 11.113 -4.270 -5.437 1.00 0.00 C ATOM 0 HA PRO A 47 8.248 -5.283 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.237 -5.063 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.320 -6.305 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.713 -3.636 -3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.355 -5.196 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.580 -3.352 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.437 -5.071 -6.101 1.00 0.00 H new ATOM 736 N MET A 48 7.551 -3.747 -2.450 1.00 0.00 N ATOM 737 CA MET A 48 6.930 -2.731 -1.607 1.00 0.00 C ATOM 738 C MET A 48 6.423 -3.343 -0.304 1.00 0.00 C ATOM 739 O MET A 48 6.258 -4.558 -0.200 1.00 0.00 O ATOM 740 CB MET A 48 5.775 -2.056 -2.350 1.00 0.00 C ATOM 741 CG MET A 48 5.167 -0.887 -1.593 1.00 0.00 C ATOM 742 SD MET A 48 6.392 0.348 -1.121 1.00 0.00 S ATOM 743 CE MET A 48 7.079 0.773 -2.720 1.00 0.00 C ATOM 0 H MET A 48 7.176 -4.687 -2.324 1.00 0.00 H new ATOM 0 HA MET A 48 7.685 -1.982 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.132 -1.705 -3.318 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.998 -2.795 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.403 -0.417 -2.212 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.668 -1.259 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.351 1.828 -2.730 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.966 0.168 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.339 0.582 -3.497 1.00 0.00 H new ATOM 753 N ASP A 49 6.178 -2.492 0.687 1.00 0.00 N ATOM 754 CA ASP A 49 5.690 -2.949 1.983 1.00 0.00 C ATOM 755 C ASP A 49 4.889 -1.853 2.679 1.00 0.00 C ATOM 756 O ASP A 49 4.772 -0.737 2.171 1.00 0.00 O ATOM 757 CB ASP A 49 6.859 -3.385 2.868 1.00 0.00 C ATOM 758 CG ASP A 49 7.555 -4.623 2.340 1.00 0.00 C ATOM 759 OD1 ASP A 49 7.036 -5.736 2.566 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.618 -4.480 1.700 1.00 0.00 O ATOM 0 H ASP A 49 6.309 -1.483 0.617 1.00 0.00 H new ATOM 0 HA ASP A 49 5.034 -3.803 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.579 -2.570 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.494 -3.579 3.877 1.00 0.00 H new ATOM 765 N PHE A 50 4.341 -2.177 3.845 1.00 0.00 N ATOM 766 CA PHE A 50 3.549 -1.220 4.609 1.00 0.00 C ATOM 767 C PHE A 50 4.444 -0.163 5.249 1.00 0.00 C ATOM 768 O PHE A 50 4.066 1.005 5.354 1.00 0.00 O ATOM 769 CB PHE A 50 2.742 -1.943 5.691 1.00 0.00 C ATOM 770 CG PHE A 50 1.386 -2.392 5.226 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.514 -1.499 4.624 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.983 -3.707 5.393 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.734 -1.910 4.195 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.264 -4.123 4.966 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.124 -3.222 4.368 1.00 0.00 C ATOM 0 H PHE A 50 4.431 -3.094 4.282 1.00 0.00 H new ATOM 0 HA PHE A 50 2.862 -0.724 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.305 -2.811 6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.623 -1.280 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.813 -0.470 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.651 -4.415 5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.403 -1.205 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.566 -5.151 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.100 -3.544 4.037 1.00 0.00 H new ATOM 785 N PHE A 51 5.631 -0.580 5.675 1.00 0.00 N ATOM 786 CA PHE A 51 6.580 0.331 6.306 1.00 0.00 C ATOM 787 C PHE A 51 7.373 1.104 5.255 1.00 0.00 C ATOM 788 O PHE A 51 7.632 2.298 5.410 1.00 0.00 O ATOM 789 CB PHE A 51 7.537 -0.445 7.213 1.00 0.00 C ATOM 790 CG PHE A 51 8.874 0.218 7.381 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.083 1.139 8.395 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.922 -0.078 6.524 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.313 1.750 8.553 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.153 0.530 6.677 1.00 0.00 C ATOM 795 CZ PHE A 51 11.349 1.446 7.692 1.00 0.00 C ATOM 0 H PHE A 51 5.959 -1.542 5.595 1.00 0.00 H new ATOM 0 HA PHE A 51 6.016 1.044 6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.076 -0.569 8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.685 -1.444 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.276 1.382 9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.775 -0.792 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.464 2.464 9.349 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.962 0.289 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.310 1.923 7.812 1.00 0.00 H new ATOM 805 N THR A 52 7.756 0.414 4.184 1.00 0.00 N ATOM 806 CA THR A 52 8.520 1.033 3.109 1.00 0.00 C ATOM 807 C THR A 52 7.764 2.211 2.506 1.00 0.00 C ATOM 808 O THR A 52 8.313 3.301 2.354 1.00 0.00 O ATOM 809 CB THR A 52 8.844 0.021 1.994 1.00 0.00 C ATOM 810 OG1 THR A 52 9.697 -1.011 2.503 1.00 0.00 O ATOM 811 CG2 THR A 52 9.517 0.710 0.818 1.00 0.00 C ATOM 0 H THR A 52 7.549 -0.574 4.039 1.00 0.00 H new ATOM 0 HA THR A 52 9.452 1.389 3.548 1.00 0.00 H new ATOM 0 HB THR A 52 7.909 -0.419 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.897 -1.652 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.736 -0.024 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.853 1.475 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.445 1.174 1.151 1.00 0.00 H new ATOM 819 N MET A 53 6.499 1.984 2.164 1.00 0.00 N ATOM 820 CA MET A 53 5.667 3.029 1.577 1.00 0.00 C ATOM 821 C MET A 53 5.554 4.225 2.518 1.00 0.00 C ATOM 822 O MET A 53 5.590 5.376 2.083 1.00 0.00 O ATOM 823 CB MET A 53 4.274 2.482 1.259 1.00 0.00 C ATOM 824 CG MET A 53 3.546 1.929 2.473 1.00 0.00 C ATOM 825 SD MET A 53 2.128 0.908 2.026 1.00 0.00 S ATOM 826 CE MET A 53 1.167 2.068 1.057 1.00 0.00 C ATOM 0 H MET A 53 6.028 1.087 2.283 1.00 0.00 H new ATOM 0 HA MET A 53 6.139 3.360 0.652 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.673 3.276 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.364 1.695 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.240 1.338 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.211 2.756 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.117 1.998 1.342 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.526 3.081 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.272 1.832 -0.002 1.00 0.00 H new ATOM 836 N LYS A 54 5.416 3.946 3.809 1.00 0.00 N ATOM 837 CA LYS A 54 5.298 4.997 4.812 1.00 0.00 C ATOM 838 C LYS A 54 6.482 5.955 4.737 1.00 0.00 C ATOM 839 O LYS A 54 6.304 7.169 4.640 1.00 0.00 O ATOM 840 CB LYS A 54 5.210 4.387 6.214 1.00 0.00 C ATOM 841 CG LYS A 54 5.066 5.419 7.317 1.00 0.00 C ATOM 842 CD LYS A 54 3.610 5.785 7.553 1.00 0.00 C ATOM 843 CE LYS A 54 3.451 6.694 8.762 1.00 0.00 C ATOM 844 NZ LYS A 54 2.020 6.934 9.092 1.00 0.00 N ATOM 0 H LYS A 54 5.383 2.999 4.186 1.00 0.00 H new ATOM 0 HA LYS A 54 4.385 5.557 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.360 3.706 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.104 3.792 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.498 5.030 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.629 6.315 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.211 6.282 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.025 4.877 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.951 6.247 9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.943 7.647 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.955 7.558 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.548 7.384 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.556 6.028 9.303 1.00 0.00 H new ATOM 858 N GLN A 55 7.689 5.401 4.781 1.00 0.00 N ATOM 859 CA GLN A 55 8.902 6.208 4.718 1.00 0.00 C ATOM 860 C GLN A 55 8.828 7.213 3.573 1.00 0.00 C ATOM 861 O GLN A 55 9.028 8.411 3.771 1.00 0.00 O ATOM 862 CB GLN A 55 10.129 5.311 4.546 1.00 0.00 C ATOM 863 CG GLN A 55 10.284 4.276 5.648 1.00 0.00 C ATOM 864 CD GLN A 55 10.924 4.846 6.899 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.110 5.177 6.909 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.139 4.967 7.963 1.00 0.00 N ATOM 0 H GLN A 55 7.853 4.397 4.860 1.00 0.00 H new ATOM 0 HA GLN A 55 8.991 6.758 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.064 4.800 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.023 5.934 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.305 3.869 5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.889 3.447 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.162 4.680 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.513 5.347 8.832 1.00 0.00 H new ATOM 875 N ASN A 56 8.539 6.716 2.375 1.00 0.00 N ATOM 876 CA ASN A 56 8.440 7.571 1.197 1.00 0.00 C ATOM 877 C ASN A 56 7.353 8.626 1.380 1.00 0.00 C ATOM 878 O ASN A 56 7.527 9.785 1.001 1.00 0.00 O ATOM 879 CB ASN A 56 8.144 6.730 -0.046 1.00 0.00 C ATOM 880 CG ASN A 56 9.144 5.605 -0.234 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.339 5.774 0.011 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.660 4.449 -0.672 1.00 0.00 N ATOM 0 H ASN A 56 8.369 5.727 2.194 1.00 0.00 H new ATOM 0 HA ASN A 56 9.396 8.078 1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.141 6.311 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.154 7.372 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.286 3.657 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.663 4.353 -0.862 1.00 0.00 H new ATOM 889 N LEU A 57 6.232 8.217 1.965 1.00 0.00 N ATOM 890 CA LEU A 57 5.117 9.127 2.200 1.00 0.00 C ATOM 891 C LEU A 57 5.547 10.305 3.069 1.00 0.00 C ATOM 892 O LEU A 57 5.197 11.451 2.792 1.00 0.00 O ATOM 893 CB LEU A 57 3.958 8.382 2.868 1.00 0.00 C ATOM 894 CG LEU A 57 3.070 9.216 3.792 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.650 8.669 3.801 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.642 9.243 5.202 1.00 0.00 C ATOM 0 H LEU A 57 6.072 7.262 2.285 1.00 0.00 H new ATOM 0 HA LEU A 57 4.787 9.513 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.332 7.950 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.369 7.552 3.443 1.00 0.00 H new ATOM 0 HG LEU A 57 3.043 10.238 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.031 9.274 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.241 8.703 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.659 7.638 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.997 9.841 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.700 8.226 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.640 9.681 5.181 1.00 0.00 H new ATOM 908 N GLU A 58 6.310 10.012 4.118 1.00 0.00 N ATOM 909 CA GLU A 58 6.789 11.048 5.025 1.00 0.00 C ATOM 910 C GLU A 58 7.889 11.878 4.370 1.00 0.00 C ATOM 911 O GLU A 58 8.276 12.928 4.881 1.00 0.00 O ATOM 912 CB GLU A 58 7.312 10.420 6.319 1.00 0.00 C ATOM 913 CG GLU A 58 6.212 9.902 7.231 1.00 0.00 C ATOM 914 CD GLU A 58 6.698 9.647 8.645 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.911 9.406 8.821 1.00 0.00 O ATOM 916 OE2 GLU A 58 5.866 9.690 9.575 1.00 0.00 O ATOM 0 H GLU A 58 6.609 9.067 4.360 1.00 0.00 H new ATOM 0 HA GLU A 58 5.952 11.706 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.983 9.598 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.902 11.160 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.396 10.624 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.808 8.978 6.818 1.00 0.00 H new ATOM 923 N ALA A 59 8.388 11.399 3.235 1.00 0.00 N ATOM 924 CA ALA A 59 9.440 12.097 2.508 1.00 0.00 C ATOM 925 C ALA A 59 8.863 12.929 1.369 1.00 0.00 C ATOM 926 O ALA A 59 9.589 13.363 0.473 1.00 0.00 O ATOM 927 CB ALA A 59 10.462 11.104 1.974 1.00 0.00 C ATOM 0 H ALA A 59 8.080 10.530 2.799 1.00 0.00 H new ATOM 0 HA ALA A 59 9.937 12.775 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.242 11.640 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.907 10.557 2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.970 10.402 1.300 1.00 0.00 H new ATOM 933 N TYR A 60 7.553 13.147 1.405 1.00 0.00 N ATOM 934 CA TYR A 60 6.878 13.924 0.374 1.00 0.00 C ATOM 935 C TYR A 60 7.118 13.321 -1.007 1.00 0.00 C ATOM 936 O TYR A 60 7.405 14.035 -1.967 1.00 0.00 O ATOM 937 CB TYR A 60 7.361 15.375 0.400 1.00 0.00 C ATOM 938 CG TYR A 60 6.972 16.120 1.656 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.706 15.979 2.827 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.869 16.966 1.672 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.353 16.657 3.978 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.510 17.650 2.818 1.00 0.00 C ATOM 943 CZ TYR A 60 6.256 17.492 3.968 1.00 0.00 C ATOM 944 OH TYR A 60 5.901 18.170 5.111 1.00 0.00 O ATOM 0 H TYR A 60 6.937 12.796 2.138 1.00 0.00 H new ATOM 0 HA TYR A 60 5.808 13.901 0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.446 15.390 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.954 15.900 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.568 15.328 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.283 17.091 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.933 16.534 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.651 18.304 2.813 1.00 0.00 H new ATOM 0 HH TYR A 60 5.107 18.716 4.934 1.00 0.00 H new ATOM 954 N ARG A 61 6.995 12.001 -1.098 1.00 0.00 N ATOM 955 CA ARG A 61 7.200 11.300 -2.360 1.00 0.00 C ATOM 956 C ARG A 61 5.872 11.076 -3.078 1.00 0.00 C ATOM 957 O ARG A 61 5.811 11.081 -4.309 1.00 0.00 O ATOM 958 CB ARG A 61 7.892 9.957 -2.117 1.00 0.00 C ATOM 959 CG ARG A 61 9.383 10.080 -1.853 1.00 0.00 C ATOM 960 CD ARG A 61 10.126 8.815 -2.256 1.00 0.00 C ATOM 961 NE ARG A 61 11.558 9.051 -2.420 1.00 0.00 N ATOM 962 CZ ARG A 61 12.409 9.141 -1.404 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.975 9.016 -0.158 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.698 9.356 -1.635 1.00 0.00 N ATOM 0 H ARG A 61 6.754 11.395 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 61 7.837 11.920 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.421 9.463 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.737 9.316 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.783 10.930 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.551 10.281 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.969 8.046 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.712 8.433 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 61 11.925 9.152 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.985 8.850 0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.631 9.086 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.035 9.452 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.351 9.425 -0.855 1.00 0.00 H new ATOM 978 N TYR A 62 4.811 10.882 -2.303 1.00 0.00 N ATOM 979 CA TYR A 62 3.485 10.655 -2.865 1.00 0.00 C ATOM 980 C TYR A 62 2.660 11.938 -2.853 1.00 0.00 C ATOM 981 O TYR A 62 2.177 12.369 -1.805 1.00 0.00 O ATOM 982 CB TYR A 62 2.757 9.560 -2.083 1.00 0.00 C ATOM 983 CG TYR A 62 3.508 8.247 -2.036 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.029 7.682 -3.193 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.696 7.575 -0.835 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.714 6.483 -3.155 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.382 6.376 -0.788 1.00 0.00 C ATOM 988 CZ TYR A 62 4.888 5.834 -1.951 1.00 0.00 C ATOM 989 OH TYR A 62 5.572 4.641 -1.909 1.00 0.00 O ATOM 0 H TYR A 62 4.843 10.877 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 62 3.608 10.334 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.584 9.907 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.778 9.393 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.896 8.188 -4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.300 7.996 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.111 6.056 -4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.521 5.866 0.154 1.00 0.00 H new ATOM 0 HH TYR A 62 5.696 4.303 -2.820 1.00 0.00 H new ATOM 999 N LEU A 63 2.502 12.543 -4.025 1.00 0.00 N ATOM 1000 CA LEU A 63 1.736 13.778 -4.151 1.00 0.00 C ATOM 1001 C LEU A 63 0.356 13.503 -4.741 1.00 0.00 C ATOM 1002 O LEU A 63 -0.587 14.261 -4.518 1.00 0.00 O ATOM 1003 CB LEU A 63 2.487 14.780 -5.028 1.00 0.00 C ATOM 1004 CG LEU A 63 3.923 15.096 -4.606 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.769 15.450 -5.819 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.944 16.230 -3.591 1.00 0.00 C ATOM 0 H LEU A 63 2.894 12.199 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 63 1.608 14.201 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.505 14.397 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.921 15.712 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 63 4.347 14.208 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.787 15.672 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.781 14.609 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.346 16.323 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.974 16.441 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.501 17.122 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.372 15.940 -2.709 1.00 0.00 H new ATOM 1018 N ASN A 64 0.246 12.413 -5.493 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.020 12.037 -6.114 1.00 0.00 C ATOM 1020 C ASN A 64 -1.493 10.679 -5.605 1.00 0.00 C ATOM 1021 O ASN A 64 -0.701 9.746 -5.465 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.874 12.003 -7.636 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.183 13.238 -8.179 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.763 14.323 -8.214 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.065 13.078 -8.607 1.00 0.00 N ATOM 0 H ASN A 64 1.017 11.774 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.766 12.785 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.308 11.117 -7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.860 11.913 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.581 13.873 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.507 12.160 -8.559 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.789 10.574 -5.332 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.368 9.330 -4.839 1.00 0.00 C ATOM 1034 C PHE A 65 -2.868 8.138 -5.651 1.00 0.00 C ATOM 1035 O PHE A 65 -2.345 7.171 -5.096 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.896 9.396 -4.897 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.574 8.413 -3.986 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.810 8.729 -2.658 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -5.973 7.173 -4.456 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.433 7.827 -1.816 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.596 6.266 -3.620 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.827 6.594 -2.298 1.00 0.00 C ATOM 0 H PHE A 65 -3.458 11.335 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.056 9.198 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.218 10.404 -4.635 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.221 9.214 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.504 9.692 -2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.795 6.912 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.611 8.086 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.902 5.302 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.315 5.888 -1.643 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.034 8.216 -6.967 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.600 7.144 -7.855 1.00 0.00 C ATOM 1054 C ASP A 66 -1.269 6.559 -7.393 1.00 0.00 C ATOM 1055 O ASP A 66 -1.064 5.346 -7.437 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.471 7.662 -9.289 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.772 7.556 -10.061 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.757 8.209 -9.659 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -3.803 6.820 -11.070 1.00 0.00 O ATOM 0 H ASP A 66 -3.465 9.009 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.353 6.356 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.147 8.703 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.697 7.097 -9.808 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.369 7.430 -6.949 1.00 0.00 N ATOM 1065 CA ASP A 67 0.943 7.000 -6.477 1.00 0.00 C ATOM 1066 C ASP A 67 0.818 6.180 -5.197 1.00 0.00 C ATOM 1067 O ASP A 67 1.169 5.000 -5.167 1.00 0.00 O ATOM 1068 CB ASP A 67 1.844 8.211 -6.235 1.00 0.00 C ATOM 1069 CG ASP A 67 3.312 7.889 -6.428 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.680 6.702 -6.305 1.00 0.00 O ATOM 1071 OD2 ASP A 67 4.095 8.823 -6.700 1.00 0.00 O ATOM 0 H ASP A 67 -0.524 8.437 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 67 1.391 6.372 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.559 9.014 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.686 8.581 -5.222 1.00 0.00 H new ATOM 1076 N PHE A 68 0.315 6.812 -4.142 1.00 0.00 N ATOM 1077 CA PHE A 68 0.145 6.142 -2.858 1.00 0.00 C ATOM 1078 C PHE A 68 -0.582 4.811 -3.031 1.00 0.00 C ATOM 1079 O PHE A 68 -0.336 3.858 -2.293 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.629 7.037 -1.889 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.934 6.376 -0.575 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -2.077 5.609 -0.419 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.078 6.523 0.504 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.360 5.000 0.788 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.355 5.915 1.714 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.498 5.154 1.857 1.00 0.00 C ATOM 0 H PHE A 68 0.018 7.788 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 68 1.135 5.945 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.053 7.944 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.564 7.343 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.755 5.486 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.816 7.120 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.254 4.404 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.322 6.035 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.718 4.680 2.802 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.478 4.757 -4.011 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.243 3.545 -4.279 1.00 0.00 C ATOM 1098 C GLU A 69 -1.371 2.491 -4.957 1.00 0.00 C ATOM 1099 O GLU A 69 -1.376 1.324 -4.567 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.454 3.863 -5.159 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.121 2.630 -5.746 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.349 2.967 -6.568 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.021 3.970 -6.249 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.638 2.228 -7.533 1.00 0.00 O ATOM 0 H GLU A 69 -1.692 5.537 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.591 3.147 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.186 4.416 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.140 4.518 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.405 2.097 -6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.403 1.955 -4.938 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.625 2.913 -5.974 1.00 0.00 N ATOM 1112 CA GLU A 70 0.250 2.005 -6.706 1.00 0.00 C ATOM 1113 C GLU A 70 1.057 1.136 -5.746 1.00 0.00 C ATOM 1114 O GLU A 70 1.176 -0.074 -5.940 1.00 0.00 O ATOM 1115 CB GLU A 70 1.196 2.795 -7.614 1.00 0.00 C ATOM 1116 CG GLU A 70 1.795 1.965 -8.737 1.00 0.00 C ATOM 1117 CD GLU A 70 0.750 1.474 -9.720 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -0.008 2.314 -10.249 1.00 0.00 O ATOM 1119 OE2 GLU A 70 0.690 0.250 -9.960 1.00 0.00 O ATOM 0 H GLU A 70 -0.609 3.876 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.374 1.355 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.654 3.637 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.003 3.211 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.537 2.561 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.319 1.109 -8.312 1.00 0.00 H new ATOM 1126 N ASP A 71 1.610 1.761 -4.713 1.00 0.00 N ATOM 1127 CA ASP A 71 2.406 1.045 -3.722 1.00 0.00 C ATOM 1128 C ASP A 71 1.589 -0.066 -3.069 1.00 0.00 C ATOM 1129 O ASP A 71 1.931 -1.244 -3.172 1.00 0.00 O ATOM 1130 CB ASP A 71 2.920 2.011 -2.654 1.00 0.00 C ATOM 1131 CG ASP A 71 3.334 3.349 -3.236 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.213 3.364 -4.123 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.780 4.382 -2.804 1.00 0.00 O ATOM 0 H ASP A 71 1.522 2.762 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 71 3.257 0.594 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.143 2.168 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.771 1.562 -2.141 1.00 0.00 H new ATOM 1138 N PHE A 72 0.510 0.318 -2.397 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.354 -0.646 -1.724 1.00 0.00 C ATOM 1140 C PHE A 72 -0.628 -1.850 -2.621 1.00 0.00 C ATOM 1141 O PHE A 72 -0.688 -2.986 -2.152 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.675 0.015 -1.323 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.749 -0.968 -0.953 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.589 -1.492 -1.922 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.919 -1.367 0.362 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.579 -2.397 -1.585 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.906 -2.271 0.706 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.737 -2.787 -0.269 1.00 0.00 C ATOM 0 H PHE A 72 0.212 1.289 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 72 0.159 -0.992 -0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.497 0.681 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.028 0.633 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.469 -1.190 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.272 -0.967 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.228 -2.798 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.027 -2.574 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.509 -3.494 -0.003 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.793 -1.591 -3.914 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.061 -2.653 -4.877 1.00 0.00 C ATOM 1160 C ASN A 73 0.136 -3.591 -5.000 1.00 0.00 C ATOM 1161 O ASN A 73 -0.012 -4.813 -4.949 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.398 -2.056 -6.246 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.570 -1.095 -6.184 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.331 -1.088 -5.217 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.720 -0.278 -7.221 1.00 0.00 N ATOM 0 H ASN A 73 -0.746 -0.656 -4.319 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.915 -3.227 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.524 -1.535 -6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.628 -2.861 -6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.491 0.390 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.065 -0.319 -8.001 1.00 0.00 H new ATOM 1172 N LEU A 74 1.320 -3.012 -5.162 1.00 0.00 N ATOM 1173 CA LEU A 74 2.544 -3.795 -5.292 1.00 0.00 C ATOM 1174 C LEU A 74 2.620 -4.868 -4.210 1.00 0.00 C ATOM 1175 O LEU A 74 2.924 -6.027 -4.492 1.00 0.00 O ATOM 1176 CB LEU A 74 3.768 -2.883 -5.208 1.00 0.00 C ATOM 1177 CG LEU A 74 4.153 -2.157 -6.498 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.463 -1.405 -6.317 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.257 -3.143 -7.653 1.00 0.00 C ATOM 0 H LEU A 74 1.459 -2.002 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 74 2.531 -4.286 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.588 -2.137 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.620 -3.480 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 74 3.372 -1.433 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.721 -0.895 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.354 -0.672 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.254 -2.109 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.532 -2.610 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.018 -3.890 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.296 -3.636 -7.798 1.00 0.00 H new ATOM 1191 N ILE A 75 2.342 -4.473 -2.971 1.00 0.00 N ATOM 1192 CA ILE A 75 2.377 -5.401 -1.849 1.00 0.00 C ATOM 1193 C ILE A 75 1.520 -6.632 -2.126 1.00 0.00 C ATOM 1194 O ILE A 75 1.926 -7.760 -1.844 1.00 0.00 O ATOM 1195 CB ILE A 75 1.889 -4.733 -0.550 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.736 -3.497 -0.237 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.936 -5.721 0.605 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.077 -2.543 0.734 1.00 0.00 C ATOM 0 H ILE A 75 2.090 -3.517 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 75 3.416 -5.705 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 75 0.855 -4.416 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.693 -3.817 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.949 -2.968 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.588 -5.233 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.294 -6.573 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.960 -6.066 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.734 -1.691 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.133 -2.193 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.889 -3.056 1.677 1.00 0.00 H new ATOM 1210 N VAL A 76 0.334 -6.408 -2.682 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.579 -7.498 -3.001 1.00 0.00 C ATOM 1212 C VAL A 76 -0.114 -8.263 -4.235 1.00 0.00 C ATOM 1213 O VAL A 76 0.074 -9.478 -4.191 1.00 0.00 O ATOM 1214 CB VAL A 76 -2.010 -6.980 -3.241 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.942 -8.128 -3.597 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.517 -6.232 -2.018 1.00 0.00 C ATOM 0 H VAL A 76 -0.017 -5.481 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.582 -8.169 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.990 -6.286 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.948 -7.742 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.587 -8.617 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.960 -8.849 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.529 -5.873 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.523 -6.902 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.863 -5.384 -1.813 1.00 0.00 H new ATOM 1226 N SER A 77 0.072 -7.540 -5.336 1.00 0.00 N ATOM 1227 CA SER A 77 0.513 -8.151 -6.584 1.00 0.00 C ATOM 1228 C SER A 77 1.834 -8.889 -6.391 1.00 0.00 C ATOM 1229 O SER A 77 1.890 -10.115 -6.471 1.00 0.00 O ATOM 1230 CB SER A 77 0.665 -7.086 -7.672 1.00 0.00 C ATOM 1231 OG SER A 77 1.487 -6.019 -7.229 1.00 0.00 O ATOM 0 H SER A 77 -0.076 -6.532 -5.388 1.00 0.00 H new ATOM 0 HA SER A 77 -0.244 -8.872 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.097 -7.535 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.317 -6.702 -7.950 1.00 0.00 H new ATOM 0 HG SER A 77 0.998 -5.480 -6.573 1.00 0.00 H new ATOM 1237 N ASN A 78 2.896 -8.131 -6.137 1.00 0.00 N ATOM 1238 CA ASN A 78 4.218 -8.713 -5.931 1.00 0.00 C ATOM 1239 C ASN A 78 4.115 -10.067 -5.236 1.00 0.00 C ATOM 1240 O ASN A 78 4.812 -11.016 -5.597 1.00 0.00 O ATOM 1241 CB ASN A 78 5.091 -7.767 -5.106 1.00 0.00 C ATOM 1242 CG ASN A 78 5.437 -6.495 -5.856 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.382 -6.451 -7.084 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.794 -5.451 -5.117 1.00 0.00 N ATOM 0 H ASN A 78 2.867 -7.114 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 78 4.678 -8.862 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.572 -7.511 -4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.010 -8.280 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.036 -4.568 -5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.826 -5.533 -4.101 1.00 0.00 H new ATOM 1251 N CYS A 79 3.243 -10.148 -4.237 1.00 0.00 N ATOM 1252 CA CYS A 79 3.049 -11.385 -3.491 1.00 0.00 C ATOM 1253 C CYS A 79 2.364 -12.440 -4.353 1.00 0.00 C ATOM 1254 O CYS A 79 2.826 -13.578 -4.445 1.00 0.00 O ATOM 1255 CB CYS A 79 2.220 -11.120 -2.232 1.00 0.00 C ATOM 1256 SG CYS A 79 2.475 -12.331 -0.913 1.00 0.00 S ATOM 0 H CYS A 79 2.660 -9.372 -3.925 1.00 0.00 H new ATOM 0 HA CYS A 79 4.029 -11.762 -3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.463 -10.128 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.164 -11.108 -2.501 1.00 0.00 H new ATOM 0 HG CYS A 79 1.459 -12.310 -0.102 1.00 0.00 H new ATOM 1262 N LEU A 80 1.259 -12.054 -4.983 1.00 0.00 N ATOM 1263 CA LEU A 80 0.508 -12.967 -5.837 1.00 0.00 C ATOM 1264 C LEU A 80 1.366 -13.456 -7.000 1.00 0.00 C ATOM 1265 O LEU A 80 1.112 -14.516 -7.572 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.749 -12.279 -6.372 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.719 -11.741 -5.319 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.638 -10.692 -5.925 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.531 -12.876 -4.712 1.00 0.00 C ATOM 0 H LEU A 80 0.864 -11.116 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 80 0.217 -13.829 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.442 -11.451 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.286 -12.987 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.138 -11.271 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.321 -10.321 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.042 -9.865 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.211 -11.137 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.216 -12.474 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.101 -13.375 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.859 -13.592 -4.240 1.00 0.00 H new ATOM 1281 N LYS A 81 2.387 -12.677 -7.342 1.00 0.00 N ATOM 1282 CA LYS A 81 3.287 -13.031 -8.433 1.00 0.00 C ATOM 1283 C LYS A 81 4.414 -13.933 -7.939 1.00 0.00 C ATOM 1284 O LYS A 81 4.889 -14.804 -8.668 1.00 0.00 O ATOM 1285 CB LYS A 81 3.873 -11.768 -9.069 1.00 0.00 C ATOM 1286 CG LYS A 81 5.248 -11.976 -9.679 1.00 0.00 C ATOM 1287 CD LYS A 81 5.584 -10.885 -10.683 1.00 0.00 C ATOM 1288 CE LYS A 81 6.808 -11.245 -11.510 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.443 -11.988 -12.748 1.00 0.00 N ATOM 0 H LYS A 81 2.612 -11.796 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 81 2.712 -13.575 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.192 -11.411 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.935 -10.986 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.999 -11.989 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.286 -12.948 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.732 -10.723 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.762 -9.947 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.346 -10.335 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.486 -11.851 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.305 -12.215 -13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.952 -12.869 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.816 -11.400 -13.334 1.00 0.00 H new ATOM 1303 N TYR A 82 4.834 -13.720 -6.697 1.00 0.00 N ATOM 1304 CA TYR A 82 5.905 -14.514 -6.106 1.00 0.00 C ATOM 1305 C TYR A 82 5.400 -15.896 -5.703 1.00 0.00 C ATOM 1306 O TYR A 82 5.857 -16.912 -6.223 1.00 0.00 O ATOM 1307 CB TYR A 82 6.488 -13.796 -4.888 1.00 0.00 C ATOM 1308 CG TYR A 82 7.927 -14.160 -4.601 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.869 -14.203 -5.622 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.344 -14.459 -3.310 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.185 -14.537 -5.364 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.659 -14.791 -3.043 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.575 -14.829 -4.074 1.00 0.00 C ATOM 1314 OH TYR A 82 11.885 -15.160 -3.813 1.00 0.00 O ATOM 0 H TYR A 82 4.449 -13.005 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 82 6.687 -14.637 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.419 -12.719 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.881 -14.031 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.568 -13.972 -6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.629 -14.432 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.904 -14.569 -6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.967 -15.019 -2.033 1.00 0.00 H new ATOM 0 HH TYR A 82 12.428 -15.002 -4.613 1.00 0.00 H new ATOM 1324 N ASN A 83 4.453 -15.924 -4.771 1.00 0.00 N ATOM 1325 CA ASN A 83 3.884 -17.180 -4.296 1.00 0.00 C ATOM 1326 C ASN A 83 2.489 -17.398 -4.875 1.00 0.00 C ATOM 1327 O ASN A 83 2.010 -16.604 -5.682 1.00 0.00 O ATOM 1328 CB ASN A 83 3.821 -17.190 -2.768 1.00 0.00 C ATOM 1329 CG ASN A 83 4.974 -16.433 -2.136 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.123 -16.872 -2.192 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.672 -15.291 -1.532 1.00 0.00 N ATOM 0 H ASN A 83 4.063 -15.091 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 83 4.529 -17.992 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.879 -16.749 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.829 -18.221 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.406 -14.738 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.706 -14.966 -1.510 1.00 0.00 H new ATOM 1338 N ALA A 84 1.843 -18.481 -4.455 1.00 0.00 N ATOM 1339 CA ALA A 84 0.503 -18.804 -4.929 1.00 0.00 C ATOM 1340 C ALA A 84 -0.493 -18.843 -3.775 1.00 0.00 C ATOM 1341 O ALA A 84 -0.149 -18.533 -2.634 1.00 0.00 O ATOM 1342 CB ALA A 84 0.510 -20.134 -5.668 1.00 0.00 C ATOM 0 H ALA A 84 2.226 -19.150 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 84 0.190 -18.020 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.497 -20.362 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.184 -20.072 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.849 -20.922 -4.995 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.728 -19.224 -4.079 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.775 -19.305 -3.067 1.00 0.00 C ATOM 1350 C LYS A 85 -2.374 -20.257 -1.944 1.00 0.00 C ATOM 1351 O LYS A 85 -2.764 -20.070 -0.791 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.089 -19.771 -3.699 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.540 -18.911 -4.867 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.393 -17.742 -4.402 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.835 -16.876 -5.571 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.960 -17.492 -6.326 1.00 0.00 N ATOM 0 H LYS A 85 -2.029 -19.482 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.914 -18.310 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.974 -20.800 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.869 -19.772 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.668 -18.536 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.108 -19.520 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.270 -18.117 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.828 -17.137 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.139 -15.896 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.992 -16.716 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.231 -16.870 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.662 -18.416 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.774 -17.621 -5.692 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.593 -21.274 -2.287 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.137 -22.253 -1.306 1.00 0.00 C ATOM 1372 C ASP A 86 -0.480 -21.564 -0.115 1.00 0.00 C ATOM 1373 O ASP A 86 -0.876 -21.769 1.033 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.155 -23.232 -1.951 1.00 0.00 C ATOM 1375 CG ASP A 86 0.129 -24.432 -1.068 1.00 0.00 C ATOM 1376 OD1 ASP A 86 0.731 -24.246 0.010 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.251 -25.556 -1.457 1.00 0.00 O ATOM 0 H ASP A 86 -1.262 -21.443 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.006 -22.805 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.559 -23.573 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.780 -22.715 -2.168 1.00 0.00 H new ATOM 1382 N THR A 87 0.529 -20.743 -0.396 1.00 0.00 N ATOM 1383 CA THR A 87 1.243 -20.024 0.652 1.00 0.00 C ATOM 1384 C THR A 87 0.290 -19.173 1.483 1.00 0.00 C ATOM 1385 O THR A 87 -0.884 -19.025 1.140 1.00 0.00 O ATOM 1386 CB THR A 87 2.342 -19.120 0.064 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.758 -18.134 -0.794 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.359 -19.940 -0.716 1.00 0.00 C ATOM 0 H THR A 87 0.869 -20.560 -1.340 1.00 0.00 H new ATOM 0 HA THR A 87 1.705 -20.775 1.292 1.00 0.00 H new ATOM 0 HB THR A 87 2.854 -18.626 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.182 -18.574 -1.453 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.125 -19.279 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.823 -20.670 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.858 -20.459 -1.533 1.00 0.00 H new ATOM 1396 N ILE A 88 0.801 -18.614 2.574 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.005 -17.775 3.451 1.00 0.00 C ATOM 1398 C ILE A 88 -0.026 -16.330 2.965 1.00 0.00 C ATOM 1399 O ILE A 88 -1.076 -15.802 2.596 1.00 0.00 O ATOM 1400 CB ILE A 88 0.518 -17.809 4.900 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.032 -19.033 5.636 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.138 -16.530 5.631 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.372 -19.094 7.092 1.00 0.00 C ATOM 0 H ILE A 88 1.770 -18.727 2.872 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.018 -18.178 3.428 1.00 0.00 H new ATOM 0 HB ILE A 88 1.605 -17.881 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.120 -19.029 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.315 -19.936 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.515 -16.569 6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.574 -15.674 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.947 -16.429 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.053 -19.987 7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.459 -19.130 7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.002 -18.209 7.610 1.00 0.00 H new ATOM 1415 N PHE A 89 1.141 -15.695 2.964 1.00 0.00 N ATOM 1416 CA PHE A 89 1.258 -14.310 2.521 1.00 0.00 C ATOM 1417 C PHE A 89 0.354 -14.045 1.320 1.00 0.00 C ATOM 1418 O PHE A 89 -0.070 -12.913 1.085 1.00 0.00 O ATOM 1419 CB PHE A 89 2.710 -13.988 2.161 1.00 0.00 C ATOM 1420 CG PHE A 89 3.713 -14.725 3.001 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.575 -14.782 4.379 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.794 -15.363 2.414 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.496 -15.460 5.154 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.720 -16.042 3.184 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.569 -16.091 4.556 1.00 0.00 C ATOM 0 H PHE A 89 2.019 -16.117 3.265 1.00 0.00 H new ATOM 0 HA PHE A 89 0.943 -13.665 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.878 -14.231 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.874 -12.916 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.738 -14.291 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.915 -15.329 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.377 -15.497 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.559 -16.533 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.289 -16.622 5.161 1.00 0.00 H new ATOM 1435 N TYR A 90 0.064 -15.097 0.562 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.786 -14.980 -0.617 1.00 0.00 C ATOM 1437 C TYR A 90 -2.242 -14.761 -0.218 1.00 0.00 C ATOM 1438 O TYR A 90 -2.886 -13.813 -0.667 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.666 -16.232 -1.485 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.203 -16.051 -2.887 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.554 -15.812 -3.110 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.359 -16.118 -3.990 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.048 -15.647 -4.388 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -0.846 -15.953 -5.272 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.191 -15.718 -5.466 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.680 -15.552 -6.741 1.00 0.00 O ATOM 0 H TYR A 90 0.405 -16.041 0.743 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.451 -14.116 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.382 -16.525 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.201 -17.051 -1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.229 -15.754 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.695 -16.302 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.101 -15.463 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.177 -16.008 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.946 -15.630 -7.386 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.756 -15.646 0.630 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.136 -15.551 1.090 1.00 0.00 C ATOM 1458 C ARG A 91 -4.384 -14.222 1.796 1.00 0.00 C ATOM 1459 O ARG A 91 -5.439 -13.609 1.633 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.462 -16.710 2.035 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.459 -18.070 1.354 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.137 -19.184 2.337 1.00 0.00 C ATOM 1463 NE ARG A 91 -4.709 -20.462 1.923 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.014 -20.705 1.885 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -6.879 -19.762 2.234 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -6.458 -21.894 1.496 1.00 0.00 N ATOM 0 H ARG A 91 -2.237 -16.437 1.012 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.787 -15.607 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.737 -16.719 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.441 -16.539 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.433 -18.253 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.726 -18.072 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.056 -19.284 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.518 -18.919 3.323 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.071 -21.209 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.543 -18.847 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.881 -19.952 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.797 -22.622 1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.461 -22.080 1.467 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.406 -13.782 2.580 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.517 -12.524 3.308 1.00 0.00 C ATOM 1482 C ALA A 92 -3.582 -11.338 2.351 1.00 0.00 C ATOM 1483 O ALA A 92 -4.373 -10.416 2.544 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.348 -12.365 4.269 1.00 0.00 C ATOM 0 H ALA A 92 -2.527 -14.278 2.728 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.444 -12.546 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.444 -11.421 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.348 -13.190 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.413 -12.370 3.709 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.745 -11.371 1.319 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.709 -10.299 0.331 1.00 0.00 C ATOM 1492 C ALA A 93 -4.044 -10.177 -0.395 1.00 0.00 C ATOM 1493 O ALA A 93 -4.527 -9.073 -0.647 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.584 -10.538 -0.665 1.00 0.00 C ATOM 0 H ALA A 93 -2.083 -12.128 1.145 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.523 -9.361 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.568 -9.730 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.631 -10.568 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.746 -11.487 -1.176 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.637 -11.319 -0.730 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.918 -11.340 -1.427 1.00 0.00 C ATOM 1502 C VAL A 94 -6.976 -10.558 -0.656 1.00 0.00 C ATOM 1503 O VAL A 94 -7.728 -9.774 -1.236 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.416 -12.781 -1.644 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.886 -12.785 -2.035 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.573 -13.483 -2.697 1.00 0.00 C ATOM 0 H VAL A 94 -4.251 -12.242 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.758 -10.870 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.313 -13.328 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.220 -13.812 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.475 -12.323 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.018 -12.223 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.939 -14.500 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.641 -12.939 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.534 -13.513 -2.370 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.027 -10.775 0.653 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.995 -10.092 1.504 1.00 0.00 C ATOM 1518 C ARG A 95 -7.715 -8.592 1.547 1.00 0.00 C ATOM 1519 O ARG A 95 -8.604 -7.777 1.290 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.957 -10.669 2.920 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.863 -9.940 3.898 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.335 -10.860 5.014 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.635 -10.126 6.240 1.00 0.00 N ATOM 1524 CZ ARG A 95 -10.056 -10.705 7.358 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.226 -12.019 7.406 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -10.308 -9.969 8.433 1.00 0.00 N ATOM 0 H ARG A 95 -6.410 -11.418 1.148 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.988 -10.248 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.246 -11.719 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.933 -10.633 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.330 -9.091 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.726 -9.539 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.225 -11.399 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.567 -11.606 5.217 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.515 -9.113 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.033 -12.589 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.550 -12.460 8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.178 -8.958 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.631 -10.414 9.292 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.479 -8.234 1.872 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.082 -6.832 1.950 1.00 0.00 C ATOM 1542 C LEU A 96 -6.564 -6.063 0.724 1.00 0.00 C ATOM 1543 O LEU A 96 -7.049 -4.936 0.837 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.563 -6.718 2.073 1.00 0.00 C ATOM 1545 CG LEU A 96 -3.986 -6.919 3.476 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.478 -7.102 3.412 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.345 -5.744 4.373 1.00 0.00 C ATOM 0 H LEU A 96 -5.733 -8.895 2.086 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.545 -6.396 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.109 -7.451 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.262 -5.733 1.716 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.423 -7.822 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.086 -7.244 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.243 -7.976 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.023 -6.218 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.927 -5.904 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.937 -4.826 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.429 -5.659 4.445 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.428 -6.678 -0.446 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.851 -6.051 -1.693 1.00 0.00 C ATOM 1561 C ARG A 97 -8.369 -5.907 -1.741 1.00 0.00 C ATOM 1562 O ARG A 97 -8.890 -4.897 -2.214 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.366 -6.871 -2.891 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.870 -6.352 -4.227 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.715 -7.394 -5.324 1.00 0.00 C ATOM 1566 NE ARG A 97 -7.382 -6.991 -6.559 1.00 0.00 N ATOM 1567 CZ ARG A 97 -7.749 -7.846 -7.508 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -7.517 -9.144 -7.362 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -8.352 -7.403 -8.603 1.00 0.00 N ATOM 0 H ARG A 97 -6.028 -7.610 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.408 -5.056 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.276 -6.876 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.688 -7.905 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.919 -6.070 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.320 -5.451 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.656 -7.558 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.127 -8.344 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.577 -6.000 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.056 -9.488 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.800 -9.798 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.534 -6.406 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.634 -8.059 -9.331 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.071 -6.924 -1.252 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.529 -6.910 -1.242 1.00 0.00 C ATOM 1585 C GLU A 98 -11.057 -5.849 -0.279 1.00 0.00 C ATOM 1586 O GLU A 98 -11.745 -4.915 -0.686 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.072 -8.285 -0.849 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.929 -9.330 -1.944 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.746 -8.999 -3.178 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.979 -9.190 -3.144 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.150 -8.547 -4.178 1.00 0.00 O ATOM 0 H GLU A 98 -8.654 -7.767 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.871 -6.666 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.550 -8.631 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.125 -8.189 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.879 -9.418 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.239 -10.301 -1.557 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.728 -6.004 1.000 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.169 -5.062 2.020 1.00 0.00 C ATOM 1600 C GLN A 99 -10.470 -3.716 1.859 1.00 0.00 C ATOM 1601 O GLN A 99 -11.117 -2.672 1.796 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.899 -5.626 3.417 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.589 -6.955 3.680 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.592 -7.329 5.149 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.461 -6.470 6.022 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.740 -8.618 5.431 1.00 0.00 N ATOM 0 H GLN A 99 -10.158 -6.773 1.353 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.241 -4.910 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.824 -5.752 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.228 -4.902 4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.616 -6.904 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.090 -7.739 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.845 -9.296 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.748 -8.930 6.402 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.142 -3.750 1.791 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.376 -2.527 1.636 1.00 0.00 C ATOM 1617 C GLY A 100 -8.937 -1.624 0.556 1.00 0.00 C ATOM 1618 O GLY A 100 -8.783 -0.405 0.614 1.00 0.00 O ATOM 0 H GLY A 100 -8.584 -4.602 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.361 -1.989 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.343 -2.777 1.395 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.589 -2.224 -0.435 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.163 -1.451 -1.521 1.00 0.00 C ATOM 1624 C GLY A 101 -11.080 -0.350 -1.027 1.00 0.00 C ATOM 1625 O GLY A 101 -10.966 0.800 -1.453 1.00 0.00 O ATOM 0 H GLY A 101 -9.730 -3.232 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.361 -1.013 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.721 -2.116 -2.181 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.992 -0.701 -0.128 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.933 0.266 0.426 1.00 0.00 C ATOM 1631 C ALA A 102 -12.199 1.417 1.108 1.00 0.00 C ATOM 1632 O ALA A 102 -12.701 2.540 1.163 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.876 -0.415 1.404 1.00 0.00 C ATOM 0 H ALA A 102 -12.100 -1.649 0.233 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.518 0.679 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.572 0.319 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.433 -1.197 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.300 -0.856 2.217 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.010 1.129 1.627 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.208 2.140 2.306 1.00 0.00 C ATOM 1641 C VAL A 103 -9.663 3.164 1.316 1.00 0.00 C ATOM 1642 O VAL A 103 -9.648 4.364 1.593 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.031 1.503 3.069 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.074 2.575 3.566 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.542 0.656 4.224 1.00 0.00 C ATOM 0 H VAL A 103 -10.581 0.204 1.590 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.865 2.640 3.018 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.486 0.853 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.249 2.106 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.683 3.135 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.603 3.253 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.697 0.213 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.111 1.282 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.184 -0.136 3.838 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.216 2.683 0.161 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.671 3.557 -0.872 1.00 0.00 C ATOM 1657 C LEU A 104 -9.780 4.351 -1.555 1.00 0.00 C ATOM 1658 O LEU A 104 -9.661 5.562 -1.749 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.902 2.736 -1.908 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.607 2.085 -1.424 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -6.089 1.094 -2.454 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.557 3.144 -1.123 1.00 0.00 C ATOM 0 H LEU A 104 -9.220 1.693 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.988 4.260 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.561 1.952 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.666 3.384 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.819 1.541 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.166 0.641 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.835 0.316 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.894 1.613 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.642 2.662 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.348 3.717 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.928 3.813 -0.347 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.858 3.663 -1.915 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.988 4.305 -2.575 1.00 0.00 C ATOM 1676 C ARG A 105 -12.570 5.412 -1.702 1.00 0.00 C ATOM 1677 O ARG A 105 -12.873 6.502 -2.187 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.070 3.273 -2.898 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.819 2.511 -4.190 1.00 0.00 C ATOM 1680 CD ARG A 105 -11.635 1.567 -4.059 1.00 0.00 C ATOM 1681 NE ARG A 105 -11.127 1.141 -5.360 1.00 0.00 N ATOM 1682 CZ ARG A 105 -10.393 0.048 -5.541 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -10.085 -0.725 -4.511 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -9.968 -0.272 -6.757 1.00 0.00 N ATOM 0 H ARG A 105 -10.973 2.661 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.630 4.749 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.140 2.562 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.034 3.778 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.710 1.943 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.635 3.217 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.838 2.060 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.932 0.691 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.348 1.714 -6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.411 -0.482 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.522 -1.563 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.205 0.321 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.405 -1.111 -6.896 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.725 5.123 -0.414 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.272 6.095 0.526 1.00 0.00 C ATOM 1700 C GLN A 106 -12.294 7.243 0.753 1.00 0.00 C ATOM 1701 O GLN A 106 -12.687 8.333 1.170 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.603 5.419 1.857 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.417 5.333 2.805 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.805 4.818 4.178 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.266 3.685 4.320 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.619 5.648 5.197 1.00 0.00 N ATOM 0 H GLN A 106 -12.480 4.225 0.002 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.188 6.502 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.408 5.969 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.976 4.413 1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.660 4.677 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.964 6.319 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.234 6.578 5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.861 5.355 6.144 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.019 6.991 0.477 1.00 0.00 N ATOM 1716 CA ALA A 107 -9.985 8.004 0.651 1.00 0.00 C ATOM 1717 C ALA A 107 -9.777 8.801 -0.632 1.00 0.00 C ATOM 1718 O ALA A 107 -9.391 9.969 -0.593 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.680 7.356 1.089 1.00 0.00 C ATOM 0 H ALA A 107 -10.677 6.094 0.132 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.314 8.694 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.917 8.124 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.831 6.836 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.355 6.643 0.331 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.034 8.161 -1.769 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.872 8.811 -3.064 1.00 0.00 C ATOM 1727 C ARG A 108 -10.737 10.065 -3.156 1.00 0.00 C ATOM 1728 O ARG A 108 -10.254 11.140 -3.512 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.237 7.845 -4.192 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.648 8.231 -5.540 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.202 7.364 -6.659 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.891 5.950 -6.462 1.00 0.00 N ATOM 1733 CZ ARG A 108 -10.383 4.977 -7.220 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -11.205 5.263 -8.221 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -10.054 3.715 -6.979 1.00 0.00 N ATOM 0 H ARG A 108 -10.355 7.194 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.827 9.103 -3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.893 6.845 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.322 7.796 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.867 9.278 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.563 8.133 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.283 7.493 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.791 7.696 -7.612 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.262 5.696 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.461 6.232 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.581 4.514 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.422 3.491 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.433 2.969 -7.562 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.018 9.919 -2.832 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.950 11.038 -2.878 1.00 0.00 C ATOM 1751 C ARG A 109 -12.436 12.209 -2.045 1.00 0.00 C ATOM 1752 O ARG A 109 -12.667 13.371 -2.382 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.327 10.605 -2.372 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.426 10.539 -0.857 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.576 9.649 -0.412 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.846 10.370 -0.380 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.947 9.894 0.189 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.935 8.702 0.770 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -19.065 10.609 0.178 1.00 0.00 N ATOM 0 H ARG A 109 -12.433 9.036 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.037 11.362 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.078 11.301 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.565 9.625 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.491 10.159 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.565 11.543 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.659 8.799 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.362 9.248 0.579 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.889 11.290 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.078 8.148 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.782 8.339 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.079 11.526 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.910 10.241 0.616 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.740 11.895 -0.957 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.195 12.921 -0.077 1.00 0.00 C ATOM 1775 C GLN A 110 -10.053 13.671 -0.755 1.00 0.00 C ATOM 1776 O GLN A 110 -10.030 14.901 -0.777 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.703 12.294 1.228 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.793 11.568 2.002 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.512 11.510 3.490 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.004 10.511 4.000 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.841 12.585 4.197 1.00 0.00 N ATOM 0 H GLN A 110 -11.540 10.939 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.991 13.632 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.899 11.593 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.279 13.075 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.747 12.069 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.894 10.554 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.260 13.391 3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.675 12.604 5.203 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.106 12.920 -1.309 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.960 13.514 -1.989 1.00 0.00 C ATOM 1792 C ALA A 111 -8.407 14.362 -3.175 1.00 0.00 C ATOM 1793 O ALA A 111 -7.644 15.184 -3.683 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.998 12.428 -2.448 1.00 0.00 C ATOM 0 H ALA A 111 -9.109 11.900 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.445 14.165 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.148 12.885 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.646 11.865 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.510 11.755 -3.136 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.647 14.158 -3.610 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.193 14.905 -4.738 1.00 0.00 C ATOM 1802 C GLU A 112 -11.044 16.076 -4.253 1.00 0.00 C ATOM 1803 O GLU A 112 -10.961 17.182 -4.788 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.030 13.985 -5.630 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.221 12.892 -6.306 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.797 12.484 -7.647 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -12.032 12.568 -7.812 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -10.013 12.080 -8.532 1.00 0.00 O ATOM 0 H GLU A 112 -10.292 13.483 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.359 15.300 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.815 13.526 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.524 14.585 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.196 13.237 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.178 12.020 -5.653 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.863 15.824 -3.239 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.730 16.855 -2.680 1.00 0.00 C ATOM 1817 C LYS A 113 -11.909 18.017 -2.132 1.00 0.00 C ATOM 1818 O LYS A 113 -12.418 19.127 -1.970 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.607 16.267 -1.571 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.973 16.342 -0.193 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.917 15.831 0.883 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.407 16.162 2.277 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.516 16.257 3.266 1.00 0.00 N ATOM 0 H LYS A 113 -11.945 14.914 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.369 17.230 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.560 16.796 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.825 15.225 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.055 15.755 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.695 17.373 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.904 16.272 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.033 14.752 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.700 15.396 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.863 17.106 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.127 16.484 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.177 17.005 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.020 15.348 3.311 1.00 0.00 H new ATOM 1837 N MET A 114 -10.636 17.757 -1.850 1.00 0.00 N ATOM 1838 CA MET A 114 -9.745 18.784 -1.323 1.00 0.00 C ATOM 1839 C MET A 114 -9.933 20.102 -2.067 1.00 0.00 C ATOM 1840 O MET A 114 -9.935 21.173 -1.464 1.00 0.00 O ATOM 1841 CB MET A 114 -8.289 18.328 -1.427 1.00 0.00 C ATOM 1842 CG MET A 114 -8.024 16.984 -0.768 1.00 0.00 C ATOM 1843 SD MET A 114 -6.316 16.805 -0.216 1.00 0.00 S ATOM 1844 CE MET A 114 -6.529 15.727 1.198 1.00 0.00 C ATOM 0 H MET A 114 -10.199 16.844 -1.978 1.00 0.00 H new ATOM 0 HA MET A 114 -9.994 18.942 -0.274 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.010 18.269 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.648 19.081 -0.969 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.692 16.864 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.260 16.186 -1.472 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.161 16.226 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.586 15.493 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.969 14.805 1.040 1.00 0.00 H new