USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 68 GLN : amide:sc= -0.549 K(o=-1.2,f=-0.13) USER MOD Set 1.2: A 72 MET CE :methyl 170:sc= -0.617 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0234 (180deg=-0.34) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.272 (180deg=-1.23!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -9.39! C(o=-9.4!,f=-13!) USER MOD Single : A 44 CYS SG : rot -40:sc= -0.347 USER MOD Single : A 49 ASN : amide:sc=-0.00762 X(o=-0.0076,f=0.19) USER MOD Single : A 50 CYS SG : rot -130:sc= -1.35 USER MOD Single : A 51 MET CE :methyl 169:sc= 0 (180deg=-0.231) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 57:sc= 1.31 USER MOD Single : A 57 MET CE :methyl 156:sc= -0.125 (180deg=-1.31) USER MOD Single : A 59 THR OG1 : rot 121:sc= -0.77 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 100:sc= 1.11 USER MOD Single : A 69 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.24) USER MOD Single : A 71 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.81) USER MOD Single : A 73 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.5!) USER MOD Single : A 77 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-4.5!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -9.867 -6.579 -0.119 1.00 0.00 N ATOM 31 CA ARG A 20 -10.294 -7.729 0.664 1.00 0.00 C ATOM 32 C ARG A 20 -10.480 -8.946 -0.236 1.00 0.00 C ATOM 33 O ARG A 20 -11.603 -9.306 -0.591 1.00 0.00 O ATOM 34 CB ARG A 20 -11.604 -7.420 1.386 1.00 0.00 C ATOM 35 CG ARG A 20 -11.987 -8.606 2.275 1.00 0.00 C ATOM 36 CD ARG A 20 -13.052 -8.166 3.282 1.00 0.00 C ATOM 37 NE ARG A 20 -14.236 -7.677 2.585 1.00 0.00 N ATOM 38 CZ ARG A 20 -15.238 -7.107 3.246 1.00 0.00 C ATOM 39 NH1 ARG A 20 -15.172 -6.977 4.543 1.00 0.00 N ATOM 40 NH2 ARG A 20 -16.287 -6.680 2.600 1.00 0.00 N ATOM 0 HA ARG A 20 -9.522 -7.948 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.495 -6.519 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.394 -7.225 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.366 -9.425 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.108 -8.980 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.321 -9.003 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.652 -7.383 3.926 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.296 -7.774 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.352 -7.313 5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.940 -6.540 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.339 -6.783 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.056 -6.243 3.108 1.00 0.00 H new ATOM 54 N PRO A 21 -9.400 -9.586 -0.604 1.00 0.00 N ATOM 55 CA PRO A 21 -9.433 -10.792 -1.482 1.00 0.00 C ATOM 56 C PRO A 21 -10.405 -11.851 -0.965 1.00 0.00 C ATOM 57 O PRO A 21 -10.980 -12.611 -1.745 1.00 0.00 O ATOM 58 CB PRO A 21 -7.986 -11.307 -1.445 1.00 0.00 C ATOM 59 CG PRO A 21 -7.153 -10.109 -1.117 1.00 0.00 C ATOM 60 CD PRO A 21 -8.025 -9.219 -0.230 1.00 0.00 C ATOM 0 HA PRO A 21 -9.780 -10.559 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.865 -12.088 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.696 -11.738 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.239 -10.399 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.853 -9.583 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.836 -9.402 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.830 -8.162 -0.410 1.00 0.00 H new ATOM 68 N GLU A 22 -10.577 -11.898 0.349 1.00 0.00 N ATOM 69 CA GLU A 22 -11.478 -12.868 0.954 1.00 0.00 C ATOM 70 C GLU A 22 -12.896 -12.666 0.438 1.00 0.00 C ATOM 71 O GLU A 22 -13.685 -13.612 0.370 1.00 0.00 O ATOM 72 CB GLU A 22 -11.460 -12.724 2.478 1.00 0.00 C ATOM 73 CG GLU A 22 -12.229 -13.887 3.117 1.00 0.00 C ATOM 74 CD GLU A 22 -13.730 -13.652 2.994 1.00 0.00 C ATOM 75 OE1 GLU A 22 -14.152 -12.523 3.196 1.00 0.00 O ATOM 76 OE2 GLU A 22 -14.437 -14.601 2.698 1.00 0.00 O ATOM 0 H GLU A 22 -10.108 -11.281 1.012 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.141 -13.869 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.432 -12.713 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.910 -11.775 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.958 -14.824 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.953 -13.983 4.167 1.00 0.00 H new ATOM 83 N GLU A 23 -13.224 -11.428 0.081 1.00 0.00 N ATOM 84 CA GLU A 23 -14.558 -11.116 -0.427 1.00 0.00 C ATOM 85 C GLU A 23 -14.591 -11.255 -1.946 1.00 0.00 C ATOM 86 O GLU A 23 -15.574 -11.729 -2.514 1.00 0.00 O ATOM 87 CB GLU A 23 -14.945 -9.690 -0.031 1.00 0.00 C ATOM 88 CG GLU A 23 -16.421 -9.450 -0.358 1.00 0.00 C ATOM 89 CD GLU A 23 -17.303 -10.214 0.624 1.00 0.00 C ATOM 90 OE1 GLU A 23 -16.763 -10.766 1.568 1.00 0.00 O ATOM 91 OE2 GLU A 23 -18.505 -10.235 0.416 1.00 0.00 O ATOM 0 H GLU A 23 -12.591 -10.630 0.133 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.271 -11.817 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.768 -9.537 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.322 -8.972 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.645 -8.384 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.633 -9.772 -1.377 1.00 0.00 H new ATOM 98 N ILE A 24 -13.516 -10.830 -2.600 1.00 0.00 N ATOM 99 CA ILE A 24 -13.436 -10.908 -4.055 1.00 0.00 C ATOM 100 C ILE A 24 -13.419 -12.359 -4.510 1.00 0.00 C ATOM 101 O ILE A 24 -14.088 -12.724 -5.478 1.00 0.00 O ATOM 102 CB ILE A 24 -12.173 -10.198 -4.548 1.00 0.00 C ATOM 103 CG1 ILE A 24 -12.117 -8.784 -3.956 1.00 0.00 C ATOM 104 CG2 ILE A 24 -12.200 -10.106 -6.077 1.00 0.00 C ATOM 105 CD1 ILE A 24 -13.418 -8.032 -4.269 1.00 0.00 C ATOM 0 H ILE A 24 -12.692 -10.430 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.313 -10.418 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.295 -10.762 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.969 -8.838 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.266 -8.242 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.300 -9.600 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.241 -11.109 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.079 -9.543 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.370 -7.029 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.548 -7.963 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.262 -8.569 -3.836 1.00 0.00 H new ATOM 117 N GLU A 25 -12.645 -13.182 -3.813 1.00 0.00 N ATOM 118 CA GLU A 25 -12.539 -14.595 -4.163 1.00 0.00 C ATOM 119 C GLU A 25 -13.929 -15.203 -4.333 1.00 0.00 C ATOM 120 O GLU A 25 -14.139 -16.061 -5.189 1.00 0.00 O ATOM 121 CB GLU A 25 -11.784 -15.349 -3.066 1.00 0.00 C ATOM 122 CG GLU A 25 -11.432 -16.752 -3.561 1.00 0.00 C ATOM 123 CD GLU A 25 -10.345 -16.672 -4.626 1.00 0.00 C ATOM 124 OE1 GLU A 25 -9.797 -15.596 -4.806 1.00 0.00 O ATOM 125 OE2 GLU A 25 -10.084 -17.683 -5.257 1.00 0.00 O ATOM 0 H GLU A 25 -12.085 -12.900 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.994 -14.681 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.877 -14.808 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.396 -15.412 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.091 -17.366 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.319 -17.235 -3.971 1.00 0.00 H new ATOM 132 N GLU A 26 -14.873 -14.752 -3.513 1.00 0.00 N ATOM 133 CA GLU A 26 -16.239 -15.262 -3.588 1.00 0.00 C ATOM 134 C GLU A 26 -16.885 -14.873 -4.915 1.00 0.00 C ATOM 135 O GLU A 26 -17.546 -15.690 -5.556 1.00 0.00 O ATOM 136 CB GLU A 26 -17.067 -14.700 -2.430 1.00 0.00 C ATOM 137 CG GLU A 26 -16.556 -15.273 -1.109 1.00 0.00 C ATOM 138 CD GLU A 26 -17.320 -14.659 0.058 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.179 -13.831 -0.193 1.00 0.00 O ATOM 140 OE2 GLU A 26 -17.037 -15.028 1.186 1.00 0.00 O ATOM 0 H GLU A 26 -14.721 -14.042 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.207 -16.349 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.000 -13.612 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.119 -14.953 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.676 -16.356 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.490 -15.070 -1.003 1.00 0.00 H new ATOM 147 N LEU A 27 -16.689 -13.625 -5.320 1.00 0.00 N ATOM 148 CA LEU A 27 -17.255 -13.140 -6.572 1.00 0.00 C ATOM 149 C LEU A 27 -16.669 -13.898 -7.755 1.00 0.00 C ATOM 150 O LEU A 27 -17.379 -14.242 -8.700 1.00 0.00 O ATOM 151 CB LEU A 27 -16.966 -11.645 -6.732 1.00 0.00 C ATOM 152 CG LEU A 27 -17.704 -10.863 -5.640 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.281 -9.393 -5.692 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.225 -10.968 -5.854 1.00 0.00 C ATOM 0 H LEU A 27 -16.146 -12.934 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.332 -13.303 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.894 -11.462 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.286 -11.305 -7.717 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.451 -11.283 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.805 -8.836 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.206 -9.318 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.530 -8.977 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.742 -10.409 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.485 -10.555 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.527 -12.014 -5.812 1.00 0.00 H new ATOM 166 N ARG A 28 -15.371 -14.158 -7.693 1.00 0.00 N ATOM 167 CA ARG A 28 -14.700 -14.874 -8.763 1.00 0.00 C ATOM 168 C ARG A 28 -15.320 -16.254 -8.960 1.00 0.00 C ATOM 169 O ARG A 28 -15.545 -16.688 -10.090 1.00 0.00 O ATOM 170 CB ARG A 28 -13.212 -15.026 -8.435 1.00 0.00 C ATOM 171 CG ARG A 28 -12.496 -15.763 -9.594 1.00 0.00 C ATOM 172 CD ARG A 28 -12.219 -17.213 -9.187 1.00 0.00 C ATOM 173 NE ARG A 28 -11.548 -17.917 -10.268 1.00 0.00 N ATOM 174 CZ ARG A 28 -11.353 -19.228 -10.212 1.00 0.00 C ATOM 175 NH1 ARG A 28 -11.766 -19.907 -9.175 1.00 0.00 N ATOM 176 NH2 ARG A 28 -10.750 -19.839 -11.192 1.00 0.00 N ATOM 0 H ARG A 28 -14.767 -13.885 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.816 -14.302 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.761 -14.046 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.089 -15.583 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.114 -15.738 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.561 -15.258 -9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.601 -17.235 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.155 -17.715 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.222 -17.395 -11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.239 -19.429 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.616 -20.915 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.428 -19.309 -12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.600 -20.847 -11.149 1.00 0.00 H new ATOM 190 N GLU A 29 -15.591 -16.938 -7.857 1.00 0.00 N ATOM 191 CA GLU A 29 -16.181 -18.270 -7.924 1.00 0.00 C ATOM 192 C GLU A 29 -17.497 -18.229 -8.695 1.00 0.00 C ATOM 193 O GLU A 29 -17.779 -19.112 -9.505 1.00 0.00 O ATOM 194 CB GLU A 29 -16.434 -18.796 -6.508 1.00 0.00 C ATOM 195 CG GLU A 29 -16.838 -20.271 -6.574 1.00 0.00 C ATOM 196 CD GLU A 29 -15.639 -21.120 -6.985 1.00 0.00 C ATOM 197 OE1 GLU A 29 -14.546 -20.579 -7.041 1.00 0.00 O ATOM 198 OE2 GLU A 29 -15.831 -22.294 -7.246 1.00 0.00 O ATOM 0 H GLU A 29 -15.414 -16.597 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.488 -18.934 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.536 -18.681 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.221 -18.214 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.211 -20.599 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -17.650 -20.403 -7.289 1.00 0.00 H new ATOM 205 N ALA A 30 -18.299 -17.200 -8.438 1.00 0.00 N ATOM 206 CA ALA A 30 -19.579 -17.058 -9.119 1.00 0.00 C ATOM 207 C ALA A 30 -19.372 -16.816 -10.607 1.00 0.00 C ATOM 208 O ALA A 30 -19.977 -17.483 -11.444 1.00 0.00 O ATOM 209 CB ALA A 30 -20.363 -15.892 -8.515 1.00 0.00 C ATOM 0 H ALA A 30 -18.087 -16.459 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.142 -17.982 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.319 -15.791 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.538 -16.081 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.791 -14.971 -8.629 1.00 0.00 H new ATOM 215 N PHE A 31 -18.511 -15.855 -10.935 1.00 0.00 N ATOM 216 CA PHE A 31 -18.246 -15.528 -12.330 1.00 0.00 C ATOM 217 C PHE A 31 -17.868 -16.779 -13.112 1.00 0.00 C ATOM 218 O PHE A 31 -18.420 -17.044 -14.178 1.00 0.00 O ATOM 219 CB PHE A 31 -17.097 -14.517 -12.410 1.00 0.00 C ATOM 220 CG PHE A 31 -16.928 -14.058 -13.840 1.00 0.00 C ATOM 221 CD1 PHE A 31 -16.189 -14.832 -14.741 1.00 0.00 C ATOM 222 CD2 PHE A 31 -17.511 -12.857 -14.263 1.00 0.00 C ATOM 223 CE1 PHE A 31 -16.031 -14.405 -16.065 1.00 0.00 C ATOM 224 CE2 PHE A 31 -17.356 -12.432 -15.587 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.615 -13.203 -16.487 1.00 0.00 C ATOM 0 H PHE A 31 -17.991 -15.295 -10.260 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.150 -15.100 -12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -17.304 -13.663 -11.765 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -16.173 -14.971 -12.051 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.740 -15.759 -14.415 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.080 -12.259 -13.567 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -15.459 -15.002 -16.761 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.809 -11.508 -15.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.492 -12.872 -17.508 1.00 0.00 H new ATOM 235 N ARG A 32 -16.935 -17.549 -12.573 1.00 0.00 N ATOM 236 CA ARG A 32 -16.501 -18.777 -13.228 1.00 0.00 C ATOM 237 C ARG A 32 -17.645 -19.781 -13.303 1.00 0.00 C ATOM 238 O ARG A 32 -17.700 -20.609 -14.210 1.00 0.00 O ATOM 239 CB ARG A 32 -15.327 -19.392 -12.458 1.00 0.00 C ATOM 240 CG ARG A 32 -14.162 -18.398 -12.422 1.00 0.00 C ATOM 241 CD ARG A 32 -13.587 -18.210 -13.831 1.00 0.00 C ATOM 242 NE ARG A 32 -12.202 -17.777 -13.757 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.497 -17.551 -14.861 1.00 0.00 C ATOM 244 NH1 ARG A 32 -12.048 -17.714 -16.033 1.00 0.00 N ATOM 245 NH2 ARG A 32 -10.253 -17.167 -14.773 1.00 0.00 N ATOM 0 H ARG A 32 -16.466 -17.349 -11.690 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.184 -18.532 -14.242 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.636 -19.643 -11.443 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.012 -20.320 -12.935 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.503 -17.440 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.385 -18.760 -11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.653 -19.146 -14.386 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.177 -17.473 -14.376 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.765 -17.645 -12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.020 -18.015 -16.102 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.506 -17.540 -16.880 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.822 -17.040 -13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.712 -16.994 -15.620 1.00 0.00 H new ATOM 259 N GLU A 33 -18.544 -19.714 -12.334 1.00 0.00 N ATOM 260 CA GLU A 33 -19.676 -20.631 -12.295 1.00 0.00 C ATOM 261 C GLU A 33 -20.634 -20.345 -13.443 1.00 0.00 C ATOM 262 O GLU A 33 -21.517 -21.150 -13.746 1.00 0.00 O ATOM 263 CB GLU A 33 -20.421 -20.487 -10.963 1.00 0.00 C ATOM 264 CG GLU A 33 -21.309 -21.713 -10.730 1.00 0.00 C ATOM 265 CD GLU A 33 -20.441 -22.933 -10.437 1.00 0.00 C ATOM 266 OE1 GLU A 33 -19.293 -22.743 -10.069 1.00 0.00 O ATOM 267 OE2 GLU A 33 -20.937 -24.037 -10.585 1.00 0.00 O ATOM 0 H GLU A 33 -18.514 -19.040 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.298 -21.649 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.707 -20.383 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.029 -19.582 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.987 -21.529 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.927 -21.898 -11.609 1.00 0.00 H new ATOM 274 N PHE A 34 -20.467 -19.189 -14.079 1.00 0.00 N ATOM 275 CA PHE A 34 -21.329 -18.799 -15.192 1.00 0.00 C ATOM 276 C PHE A 34 -20.546 -18.775 -16.498 1.00 0.00 C ATOM 277 O PHE A 34 -21.121 -18.567 -17.568 1.00 0.00 O ATOM 278 CB PHE A 34 -21.923 -17.417 -14.923 1.00 0.00 C ATOM 279 CG PHE A 34 -22.847 -17.488 -13.725 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.031 -18.234 -13.799 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.523 -16.808 -12.545 1.00 0.00 C ATOM 282 CE1 PHE A 34 -24.887 -18.299 -12.694 1.00 0.00 C ATOM 283 CE2 PHE A 34 -23.379 -16.875 -11.440 1.00 0.00 C ATOM 284 CZ PHE A 34 -24.559 -17.620 -11.514 1.00 0.00 C ATOM 0 H PHE A 34 -19.745 -18.507 -13.844 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.131 -19.531 -15.282 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.126 -16.697 -14.739 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.471 -17.069 -15.798 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.283 -18.759 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.612 -16.231 -12.487 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -25.800 -18.873 -12.751 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.128 -16.351 -10.530 1.00 0.00 H new ATOM 0 HZ PHE A 34 -25.219 -17.672 -10.660 1.00 0.00 H new ATOM 294 N ASP A 35 -19.237 -18.988 -16.408 1.00 0.00 N ATOM 295 CA ASP A 35 -18.399 -18.981 -17.600 1.00 0.00 C ATOM 296 C ASP A 35 -18.917 -19.979 -18.628 1.00 0.00 C ATOM 297 O ASP A 35 -19.164 -19.620 -19.776 1.00 0.00 O ATOM 298 CB ASP A 35 -16.946 -19.335 -17.212 1.00 0.00 C ATOM 299 CG ASP A 35 -16.061 -18.095 -17.275 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.123 -17.407 -18.280 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.346 -17.851 -16.324 1.00 0.00 O ATOM 0 H ASP A 35 -18.740 -19.165 -15.535 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.427 -17.985 -18.042 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.924 -19.755 -16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.559 -20.100 -17.885 1.00 0.00 H new ATOM 306 N LYS A 36 -19.071 -21.224 -18.204 1.00 0.00 N ATOM 307 CA LYS A 36 -19.557 -22.267 -19.094 1.00 0.00 C ATOM 308 C LYS A 36 -18.552 -22.553 -20.206 1.00 0.00 C ATOM 309 O LYS A 36 -17.983 -23.642 -20.276 1.00 0.00 O ATOM 310 CB LYS A 36 -20.892 -21.831 -19.717 1.00 0.00 C ATOM 311 CG LYS A 36 -21.675 -23.062 -20.183 1.00 0.00 C ATOM 312 CD LYS A 36 -23.049 -22.629 -20.691 1.00 0.00 C ATOM 313 CE LYS A 36 -23.795 -23.848 -21.238 1.00 0.00 C ATOM 314 NZ LYS A 36 -24.087 -24.794 -20.124 1.00 0.00 N ATOM 0 H LYS A 36 -18.868 -21.536 -17.254 1.00 0.00 H new ATOM 0 HA LYS A 36 -19.695 -23.177 -18.510 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -21.478 -21.271 -18.988 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -20.710 -21.164 -20.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -21.128 -23.576 -20.974 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -21.786 -23.769 -19.361 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -23.620 -22.171 -19.883 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -22.940 -21.875 -21.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.723 -23.535 -21.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.194 -24.343 -22.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -24.825 -25.464 -20.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.223 -25.318 -19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -24.417 -24.262 -19.294 1.00 0.00 H new ATOM 328 N ASP A 37 -18.343 -21.569 -21.079 1.00 0.00 N ATOM 329 CA ASP A 37 -17.419 -21.729 -22.193 1.00 0.00 C ATOM 330 C ASP A 37 -16.007 -21.348 -21.773 1.00 0.00 C ATOM 331 O ASP A 37 -15.048 -21.581 -22.508 1.00 0.00 O ATOM 332 CB ASP A 37 -17.859 -20.848 -23.363 1.00 0.00 C ATOM 333 CG ASP A 37 -18.060 -19.413 -22.890 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.697 -19.129 -21.760 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.572 -18.621 -23.663 1.00 0.00 O ATOM 0 H ASP A 37 -18.800 -20.658 -21.035 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.425 -22.775 -22.501 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.109 -20.877 -24.153 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.786 -21.232 -23.789 1.00 0.00 H new ATOM 340 N LYS A 38 -15.873 -20.778 -20.582 1.00 0.00 N ATOM 341 CA LYS A 38 -14.578 -20.389 -20.080 1.00 0.00 C ATOM 342 C LYS A 38 -13.772 -19.652 -21.136 1.00 0.00 C ATOM 343 O LYS A 38 -12.618 -19.988 -21.402 1.00 0.00 O ATOM 344 CB LYS A 38 -13.809 -21.626 -19.613 1.00 0.00 C ATOM 345 CG LYS A 38 -12.623 -21.198 -18.749 1.00 0.00 C ATOM 346 CD LYS A 38 -13.080 -20.903 -17.318 1.00 0.00 C ATOM 347 CE LYS A 38 -11.869 -20.840 -16.390 1.00 0.00 C ATOM 348 NZ LYS A 38 -11.134 -22.135 -16.441 1.00 0.00 N ATOM 0 H LYS A 38 -16.650 -20.578 -19.952 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.732 -19.713 -19.239 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.468 -22.283 -19.044 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.458 -22.195 -20.474 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.869 -21.985 -18.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.155 -20.312 -19.177 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.622 -19.958 -17.287 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.769 -21.677 -16.980 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.211 -20.024 -16.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.190 -20.632 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.602 -22.267 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.812 -22.915 -16.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.474 -22.128 -17.244 1.00 0.00 H new ATOM 362 N ASP A 39 -14.378 -18.630 -21.721 1.00 0.00 N ATOM 363 CA ASP A 39 -13.699 -17.827 -22.736 1.00 0.00 C ATOM 364 C ASP A 39 -12.993 -16.648 -22.074 1.00 0.00 C ATOM 365 O ASP A 39 -12.516 -15.734 -22.747 1.00 0.00 O ATOM 366 CB ASP A 39 -14.707 -17.309 -23.760 1.00 0.00 C ATOM 367 CG ASP A 39 -15.877 -16.640 -23.050 1.00 0.00 C ATOM 368 OD1 ASP A 39 -16.130 -16.983 -21.906 1.00 0.00 O ATOM 369 OD2 ASP A 39 -16.505 -15.788 -23.659 1.00 0.00 O ATOM 0 H ASP A 39 -15.332 -18.335 -21.515 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.965 -18.452 -23.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.224 -16.598 -24.430 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.068 -18.133 -24.376 1.00 0.00 H new ATOM 374 N GLY A 40 -12.938 -16.668 -20.741 1.00 0.00 N ATOM 375 CA GLY A 40 -12.294 -15.593 -19.990 1.00 0.00 C ATOM 376 C GLY A 40 -13.270 -14.454 -19.741 1.00 0.00 C ATOM 377 O GLY A 40 -13.104 -13.668 -18.809 1.00 0.00 O ATOM 0 H GLY A 40 -13.329 -17.412 -20.164 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.925 -15.977 -19.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.429 -15.224 -20.542 1.00 0.00 H new ATOM 381 N TYR A 41 -14.293 -14.364 -20.586 1.00 0.00 N ATOM 382 CA TYR A 41 -15.292 -13.300 -20.457 1.00 0.00 C ATOM 383 C TYR A 41 -16.684 -13.835 -20.757 1.00 0.00 C ATOM 384 O TYR A 41 -16.844 -14.749 -21.558 1.00 0.00 O ATOM 385 CB TYR A 41 -14.970 -12.153 -21.420 1.00 0.00 C ATOM 386 CG TYR A 41 -13.475 -11.912 -21.431 1.00 0.00 C ATOM 387 CD1 TYR A 41 -12.833 -11.433 -20.284 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.735 -12.169 -22.593 1.00 0.00 C ATOM 389 CE1 TYR A 41 -11.451 -11.210 -20.297 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.355 -11.946 -22.606 1.00 0.00 C ATOM 391 CZ TYR A 41 -10.712 -11.467 -21.460 1.00 0.00 C ATOM 392 OH TYR A 41 -9.349 -11.249 -21.474 1.00 0.00 O ATOM 0 H TYR A 41 -14.454 -15.007 -21.361 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.266 -12.931 -19.432 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.318 -12.397 -22.424 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.493 -11.248 -21.113 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.404 -11.235 -19.389 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.231 -12.539 -23.478 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.955 -10.840 -19.412 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.785 -12.144 -23.502 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.990 -11.478 -22.357 1.00 0.00 H new ATOM 402 N ILE A 42 -17.689 -13.250 -20.120 1.00 0.00 N ATOM 403 CA ILE A 42 -19.077 -13.666 -20.332 1.00 0.00 C ATOM 404 C ILE A 42 -19.874 -12.534 -20.955 1.00 0.00 C ATOM 405 O ILE A 42 -19.306 -11.561 -21.435 1.00 0.00 O ATOM 406 CB ILE A 42 -19.712 -14.063 -19.002 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.731 -12.861 -18.057 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.903 -15.198 -18.369 1.00 0.00 C ATOM 409 CD1 ILE A 42 -20.285 -13.289 -16.699 1.00 0.00 C ATOM 0 H ILE A 42 -17.574 -12.487 -19.453 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.085 -14.522 -21.006 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.734 -14.397 -19.178 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.724 -12.460 -17.941 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -20.345 -12.064 -18.477 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.356 -15.482 -17.419 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.896 -16.058 -19.039 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.880 -14.864 -18.197 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -20.299 -12.432 -16.025 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.299 -13.669 -16.823 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.653 -14.071 -16.278 1.00 0.00 H new ATOM 421 N ASN A 43 -21.197 -12.671 -20.958 1.00 0.00 N ATOM 422 CA ASN A 43 -22.073 -11.646 -21.526 1.00 0.00 C ATOM 423 C ASN A 43 -23.236 -11.359 -20.582 1.00 0.00 C ATOM 424 O ASN A 43 -23.360 -11.976 -19.525 1.00 0.00 O ATOM 425 CB ASN A 43 -22.599 -12.099 -22.888 1.00 0.00 C ATOM 426 CG ASN A 43 -22.868 -13.596 -22.869 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.156 -14.163 -21.814 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.779 -14.277 -23.976 1.00 0.00 N ATOM 0 H ASN A 43 -21.687 -13.479 -20.575 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.498 -10.730 -21.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.514 -11.560 -23.131 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.873 -11.861 -23.665 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.948 -15.283 -23.971 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.540 -13.804 -24.848 1.00 0.00 H new ATOM 435 N CYS A 44 -24.075 -10.405 -20.967 1.00 0.00 N ATOM 436 CA CYS A 44 -25.218 -10.027 -20.146 1.00 0.00 C ATOM 437 C CYS A 44 -26.278 -11.120 -20.150 1.00 0.00 C ATOM 438 O CYS A 44 -27.473 -10.837 -20.042 1.00 0.00 O ATOM 439 CB CYS A 44 -25.824 -8.710 -20.663 1.00 0.00 C ATOM 440 SG CYS A 44 -24.568 -7.790 -21.586 1.00 0.00 S ATOM 0 H CYS A 44 -23.986 -9.882 -21.838 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.871 -9.889 -19.122 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.681 -8.918 -21.303 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.188 -8.112 -19.828 1.00 0.00 H new ATOM 0 HG CYS A 44 -23.423 -7.889 -20.978 1.00 0.00 H new ATOM 446 N ARG A 45 -25.842 -12.364 -20.285 1.00 0.00 N ATOM 447 CA ARG A 45 -26.768 -13.487 -20.308 1.00 0.00 C ATOM 448 C ARG A 45 -26.983 -14.036 -18.905 1.00 0.00 C ATOM 449 O ARG A 45 -28.089 -13.988 -18.370 1.00 0.00 O ATOM 450 CB ARG A 45 -26.224 -14.596 -21.211 1.00 0.00 C ATOM 451 CG ARG A 45 -26.234 -14.123 -22.666 1.00 0.00 C ATOM 452 CD ARG A 45 -25.899 -15.300 -23.585 1.00 0.00 C ATOM 453 NE ARG A 45 -24.575 -15.821 -23.278 1.00 0.00 N ATOM 454 CZ ARG A 45 -24.132 -16.944 -23.834 1.00 0.00 C ATOM 455 NH1 ARG A 45 -24.888 -17.600 -24.671 1.00 0.00 N ATOM 456 NH2 ARG A 45 -22.943 -17.393 -23.540 1.00 0.00 N ATOM 0 H ARG A 45 -24.859 -12.620 -20.380 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.723 -13.134 -20.698 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.210 -14.859 -20.910 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.831 -15.495 -21.106 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.212 -13.715 -22.921 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.509 -13.321 -22.804 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.644 -16.087 -23.465 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.939 -14.980 -24.626 1.00 0.00 H new ATOM 0 HE ARG A 45 -23.977 -15.315 -22.625 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.819 -17.251 -24.899 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -24.548 -18.462 -25.098 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -22.353 -16.882 -22.883 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.603 -18.255 -23.967 1.00 0.00 H new ATOM 470 N ASP A 46 -25.915 -14.561 -18.311 1.00 0.00 N ATOM 471 CA ASP A 46 -25.990 -15.124 -16.963 1.00 0.00 C ATOM 472 C ASP A 46 -25.641 -14.074 -15.920 1.00 0.00 C ATOM 473 O ASP A 46 -25.736 -14.332 -14.722 1.00 0.00 O ATOM 474 CB ASP A 46 -25.039 -16.317 -16.844 1.00 0.00 C ATOM 475 CG ASP A 46 -25.548 -17.480 -17.692 1.00 0.00 C ATOM 476 OD1 ASP A 46 -26.685 -17.415 -18.132 1.00 0.00 O ATOM 477 OD2 ASP A 46 -24.797 -18.423 -17.883 1.00 0.00 O ATOM 0 H ASP A 46 -24.990 -14.609 -18.738 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.012 -15.459 -16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.039 -16.029 -17.170 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -24.958 -16.625 -15.802 1.00 0.00 H new ATOM 482 N LEU A 47 -25.235 -12.901 -16.382 1.00 0.00 N ATOM 483 CA LEU A 47 -24.870 -11.828 -15.471 1.00 0.00 C ATOM 484 C LEU A 47 -26.040 -11.492 -14.548 1.00 0.00 C ATOM 485 O LEU A 47 -25.875 -11.404 -13.331 1.00 0.00 O ATOM 486 CB LEU A 47 -24.479 -10.586 -16.271 1.00 0.00 C ATOM 487 CG LEU A 47 -24.165 -9.421 -15.302 1.00 0.00 C ATOM 488 CD1 LEU A 47 -22.895 -8.704 -15.755 1.00 0.00 C ATOM 489 CD2 LEU A 47 -25.335 -8.429 -15.295 1.00 0.00 C ATOM 0 H LEU A 47 -25.151 -12.670 -17.372 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.025 -12.155 -14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.609 -10.800 -16.892 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.289 -10.304 -16.944 1.00 0.00 H new ATOM 0 HG LEU A 47 -24.018 -9.818 -14.298 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.676 -7.884 -15.071 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -22.062 -9.407 -15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -23.039 -8.309 -16.761 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -25.113 -7.609 -14.612 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -25.483 -8.034 -16.300 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -26.242 -8.938 -14.968 1.00 0.00 H new ATOM 501 N GLY A 48 -27.221 -11.317 -15.132 1.00 0.00 N ATOM 502 CA GLY A 48 -28.410 -11.001 -14.347 1.00 0.00 C ATOM 503 C GLY A 48 -28.657 -12.081 -13.300 1.00 0.00 C ATOM 504 O GLY A 48 -29.064 -11.788 -12.175 1.00 0.00 O ATOM 0 H GLY A 48 -27.380 -11.388 -16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.285 -10.034 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.276 -10.917 -15.004 1.00 0.00 H new ATOM 508 N ASN A 49 -28.407 -13.338 -13.678 1.00 0.00 N ATOM 509 CA ASN A 49 -28.604 -14.450 -12.756 1.00 0.00 C ATOM 510 C ASN A 49 -27.467 -14.514 -11.739 1.00 0.00 C ATOM 511 O ASN A 49 -27.604 -15.117 -10.675 1.00 0.00 O ATOM 512 CB ASN A 49 -28.665 -15.764 -13.537 1.00 0.00 C ATOM 513 CG ASN A 49 -29.095 -16.899 -12.614 1.00 0.00 C ATOM 514 OD1 ASN A 49 -28.254 -17.660 -12.134 1.00 0.00 O ATOM 515 ND2 ASN A 49 -30.360 -17.061 -12.337 1.00 0.00 N ATOM 0 H ASN A 49 -28.072 -13.605 -14.604 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.542 -14.296 -12.223 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.367 -15.672 -14.366 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -27.689 -15.985 -13.969 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.654 -17.819 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -31.054 -16.429 -12.736 1.00 0.00 H new ATOM 522 N CYS A 50 -26.339 -13.896 -12.078 1.00 0.00 N ATOM 523 CA CYS A 50 -25.183 -13.891 -11.192 1.00 0.00 C ATOM 524 C CYS A 50 -25.441 -13.022 -9.970 1.00 0.00 C ATOM 525 O CYS A 50 -25.089 -13.390 -8.860 1.00 0.00 O ATOM 526 CB CYS A 50 -23.954 -13.369 -11.941 1.00 0.00 C ATOM 527 SG CYS A 50 -22.453 -13.821 -11.037 1.00 0.00 S ATOM 0 H CYS A 50 -26.203 -13.395 -12.956 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.002 -14.914 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.924 -13.787 -12.947 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.014 -12.286 -12.048 1.00 0.00 H new ATOM 0 HG CYS A 50 -21.701 -12.770 -10.891 1.00 0.00 H new ATOM 533 N MET A 51 -26.058 -11.869 -10.185 1.00 0.00 N ATOM 534 CA MET A 51 -26.353 -10.950 -9.095 1.00 0.00 C ATOM 535 C MET A 51 -27.328 -11.583 -8.112 1.00 0.00 C ATOM 536 O MET A 51 -27.253 -11.342 -6.907 1.00 0.00 O ATOM 537 CB MET A 51 -26.944 -9.652 -9.647 1.00 0.00 C ATOM 538 CG MET A 51 -25.873 -8.890 -10.430 1.00 0.00 C ATOM 539 SD MET A 51 -26.562 -7.329 -11.033 1.00 0.00 S ATOM 540 CE MET A 51 -25.032 -6.660 -11.732 1.00 0.00 C ATOM 0 H MET A 51 -26.364 -11.548 -11.103 1.00 0.00 H new ATOM 0 HA MET A 51 -25.423 -10.726 -8.572 1.00 0.00 H new ATOM 0 HB2 MET A 51 -27.793 -9.874 -10.294 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.319 -9.035 -8.830 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.010 -8.697 -9.793 1.00 0.00 H new ATOM 0 HG3 MET A 51 -25.522 -9.493 -11.268 1.00 0.00 H new ATOM 0 HE1 MET A 51 -25.261 -5.781 -12.334 1.00 0.00 H new ATOM 0 HE2 MET A 51 -24.355 -6.381 -10.925 1.00 0.00 H new ATOM 0 HE3 MET A 51 -24.558 -7.415 -12.359 1.00 0.00 H new ATOM 550 N ARG A 52 -28.247 -12.384 -8.635 1.00 0.00 N ATOM 551 CA ARG A 52 -29.237 -13.040 -7.797 1.00 0.00 C ATOM 552 C ARG A 52 -28.571 -14.001 -6.815 1.00 0.00 C ATOM 553 O ARG A 52 -29.100 -14.270 -5.736 1.00 0.00 O ATOM 554 CB ARG A 52 -30.238 -13.808 -8.664 1.00 0.00 C ATOM 555 CG ARG A 52 -31.099 -12.818 -9.448 1.00 0.00 C ATOM 556 CD ARG A 52 -32.099 -13.584 -10.315 1.00 0.00 C ATOM 557 NE ARG A 52 -32.911 -12.654 -11.092 1.00 0.00 N ATOM 558 CZ ARG A 52 -33.907 -11.977 -10.530 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.174 -12.139 -9.263 1.00 0.00 N ATOM 560 NH2 ARG A 52 -34.620 -11.151 -11.247 1.00 0.00 N ATOM 0 H ARG A 52 -28.326 -12.593 -9.630 1.00 0.00 H new ATOM 0 HA ARG A 52 -29.762 -12.270 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -29.709 -14.469 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.869 -14.438 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -31.628 -12.157 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -30.468 -12.187 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -31.567 -14.260 -10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -32.741 -14.199 -9.685 1.00 0.00 H new ATOM 0 HE ARG A 52 -32.711 -12.521 -12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -33.618 -12.786 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -34.939 -11.619 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -34.412 -11.026 -12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -35.385 -10.631 -10.816 1.00 0.00 H new ATOM 574 N THR A 53 -27.419 -14.526 -7.203 1.00 0.00 N ATOM 575 CA THR A 53 -26.698 -15.466 -6.355 1.00 0.00 C ATOM 576 C THR A 53 -26.410 -14.845 -4.988 1.00 0.00 C ATOM 577 O THR A 53 -26.410 -15.535 -3.973 1.00 0.00 O ATOM 578 CB THR A 53 -25.382 -15.883 -7.042 1.00 0.00 C ATOM 579 OG1 THR A 53 -25.038 -17.200 -6.629 1.00 0.00 O ATOM 580 CG2 THR A 53 -24.255 -14.915 -6.662 1.00 0.00 C ATOM 0 H THR A 53 -26.965 -14.320 -8.093 1.00 0.00 H new ATOM 0 HA THR A 53 -27.317 -16.350 -6.204 1.00 0.00 H new ATOM 0 HB THR A 53 -25.518 -15.856 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 53 -24.203 -17.472 -7.064 1.00 0.00 H new ATOM 0 HG21 THR A 53 -23.332 -15.221 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 53 -24.519 -13.906 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 53 -24.112 -14.929 -5.581 1.00 0.00 H new ATOM 588 N MET A 54 -26.119 -13.547 -4.988 1.00 0.00 N ATOM 589 CA MET A 54 -25.790 -12.847 -3.760 1.00 0.00 C ATOM 590 C MET A 54 -25.655 -11.349 -4.018 1.00 0.00 C ATOM 591 O MET A 54 -24.550 -10.809 -4.054 1.00 0.00 O ATOM 592 CB MET A 54 -24.477 -13.385 -3.179 1.00 0.00 C ATOM 593 CG MET A 54 -24.229 -12.747 -1.809 1.00 0.00 C ATOM 594 SD MET A 54 -22.697 -13.403 -1.106 1.00 0.00 S ATOM 595 CE MET A 54 -21.568 -12.212 -1.867 1.00 0.00 C ATOM 0 H MET A 54 -26.106 -12.964 -5.825 1.00 0.00 H new ATOM 0 HA MET A 54 -26.596 -13.014 -3.046 1.00 0.00 H new ATOM 0 HB2 MET A 54 -24.526 -14.470 -3.084 1.00 0.00 H new ATOM 0 HB3 MET A 54 -23.650 -13.161 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 54 -24.162 -11.664 -1.907 1.00 0.00 H new ATOM 0 HG3 MET A 54 -25.066 -12.955 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 54 -20.545 -12.434 -1.562 1.00 0.00 H new ATOM 0 HE2 MET A 54 -21.646 -12.279 -2.952 1.00 0.00 H new ATOM 0 HE3 MET A 54 -21.831 -11.204 -1.546 1.00 0.00 H new ATOM 605 N GLY A 55 -26.790 -10.685 -4.193 1.00 0.00 N ATOM 606 CA GLY A 55 -26.792 -9.249 -4.441 1.00 0.00 C ATOM 607 C GLY A 55 -28.149 -8.641 -4.105 1.00 0.00 C ATOM 608 O GLY A 55 -28.417 -8.290 -2.957 1.00 0.00 O ATOM 0 H GLY A 55 -27.715 -11.114 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.017 -8.771 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.551 -9.056 -5.486 1.00 0.00 H new ATOM 612 N TYR A 56 -29.001 -8.512 -5.117 1.00 0.00 N ATOM 613 CA TYR A 56 -30.329 -7.940 -4.923 1.00 0.00 C ATOM 614 C TYR A 56 -31.289 -8.460 -5.978 1.00 0.00 C ATOM 615 O TYR A 56 -30.867 -9.000 -7.000 1.00 0.00 O ATOM 616 CB TYR A 56 -30.256 -6.414 -4.991 1.00 0.00 C ATOM 617 CG TYR A 56 -29.472 -6.003 -6.213 1.00 0.00 C ATOM 618 CD1 TYR A 56 -28.073 -6.082 -6.203 1.00 0.00 C ATOM 619 CD2 TYR A 56 -30.138 -5.540 -7.353 1.00 0.00 C ATOM 620 CE1 TYR A 56 -27.343 -5.699 -7.333 1.00 0.00 C ATOM 621 CE2 TYR A 56 -29.406 -5.156 -8.483 1.00 0.00 C ATOM 622 CZ TYR A 56 -28.009 -5.236 -8.474 1.00 0.00 C ATOM 623 OH TYR A 56 -27.288 -4.860 -9.588 1.00 0.00 O ATOM 0 H TYR A 56 -28.797 -8.794 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 56 -30.696 -8.237 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -31.260 -5.992 -5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -29.781 -6.021 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -27.558 -6.439 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -31.216 -5.479 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -26.265 -5.761 -7.325 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -29.920 -4.798 -9.363 1.00 0.00 H new ATOM 0 HH TYR A 56 -26.729 -5.609 -9.884 1.00 0.00 H new ATOM 633 N MET A 57 -32.589 -8.306 -5.721 1.00 0.00 N ATOM 634 CA MET A 57 -33.612 -8.774 -6.656 1.00 0.00 C ATOM 635 C MET A 57 -34.402 -7.589 -7.220 1.00 0.00 C ATOM 636 O MET A 57 -35.415 -7.183 -6.646 1.00 0.00 O ATOM 637 CB MET A 57 -34.561 -9.739 -5.953 1.00 0.00 C ATOM 638 CG MET A 57 -34.843 -9.242 -4.537 1.00 0.00 C ATOM 639 SD MET A 57 -36.346 -10.034 -3.913 1.00 0.00 S ATOM 640 CE MET A 57 -35.863 -11.744 -4.255 1.00 0.00 C ATOM 0 H MET A 57 -32.956 -7.864 -4.878 1.00 0.00 H new ATOM 0 HA MET A 57 -33.119 -9.292 -7.479 1.00 0.00 H new ATOM 0 HB2 MET A 57 -35.493 -9.821 -6.513 1.00 0.00 H new ATOM 0 HB3 MET A 57 -34.122 -10.736 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 57 -34.000 -9.470 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 57 -34.962 -8.159 -4.537 1.00 0.00 H new ATOM 0 HE1 MET A 57 -36.412 -12.416 -3.595 1.00 0.00 H new ATOM 0 HE2 MET A 57 -36.093 -11.987 -5.292 1.00 0.00 H new ATOM 0 HE3 MET A 57 -34.793 -11.861 -4.084 1.00 0.00 H new ATOM 650 N PRO A 58 -33.962 -7.034 -8.322 1.00 0.00 N ATOM 651 CA PRO A 58 -34.639 -5.881 -8.966 1.00 0.00 C ATOM 652 C PRO A 58 -35.845 -6.314 -9.796 1.00 0.00 C ATOM 653 O PRO A 58 -36.186 -7.495 -9.845 1.00 0.00 O ATOM 654 CB PRO A 58 -33.541 -5.279 -9.850 1.00 0.00 C ATOM 655 CG PRO A 58 -32.634 -6.423 -10.196 1.00 0.00 C ATOM 656 CD PRO A 58 -32.766 -7.455 -9.073 1.00 0.00 C ATOM 0 HA PRO A 58 -35.043 -5.175 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -33.963 -4.827 -10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -32.999 -4.494 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.913 -6.859 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.602 -6.083 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.882 -8.463 -9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -31.881 -7.464 -8.437 1.00 0.00 H new ATOM 664 N THR A 59 -36.475 -5.349 -10.454 1.00 0.00 N ATOM 665 CA THR A 59 -37.635 -5.638 -11.287 1.00 0.00 C ATOM 666 C THR A 59 -37.212 -6.347 -12.570 1.00 0.00 C ATOM 667 O THR A 59 -36.036 -6.638 -12.772 1.00 0.00 O ATOM 668 CB THR A 59 -38.372 -4.337 -11.634 1.00 0.00 C ATOM 669 OG1 THR A 59 -37.423 -3.334 -11.955 1.00 0.00 O ATOM 670 CG2 THR A 59 -39.206 -3.882 -10.434 1.00 0.00 C ATOM 0 H THR A 59 -36.205 -4.366 -10.428 1.00 0.00 H new ATOM 0 HA THR A 59 -38.304 -6.293 -10.729 1.00 0.00 H new ATOM 0 HB THR A 59 -39.030 -4.508 -12.486 1.00 0.00 H new ATOM 0 HG1 THR A 59 -37.583 -3.012 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 59 -39.728 -2.958 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 59 -39.934 -4.654 -10.183 1.00 0.00 H new ATOM 0 HG23 THR A 59 -38.551 -3.710 -9.580 1.00 0.00 H new ATOM 678 N GLU A 60 -38.183 -6.622 -13.428 1.00 0.00 N ATOM 679 CA GLU A 60 -37.907 -7.295 -14.691 1.00 0.00 C ATOM 680 C GLU A 60 -37.305 -6.319 -15.699 1.00 0.00 C ATOM 681 O GLU A 60 -36.244 -6.572 -16.264 1.00 0.00 O ATOM 682 CB GLU A 60 -39.200 -7.906 -15.261 1.00 0.00 C ATOM 683 CG GLU A 60 -40.399 -7.070 -14.809 1.00 0.00 C ATOM 684 CD GLU A 60 -41.658 -7.542 -15.520 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.536 -8.354 -16.420 1.00 0.00 O ATOM 686 OE2 GLU A 60 -42.726 -7.082 -15.155 1.00 0.00 O ATOM 0 H GLU A 60 -39.165 -6.391 -13.275 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.188 -8.093 -14.505 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.153 -7.935 -16.350 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.311 -8.935 -14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -40.527 -7.156 -13.730 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -40.221 -6.017 -15.026 1.00 0.00 H new ATOM 693 N MET A 61 -38.001 -5.215 -15.927 1.00 0.00 N ATOM 694 CA MET A 61 -37.535 -4.220 -16.882 1.00 0.00 C ATOM 695 C MET A 61 -36.176 -3.689 -16.472 1.00 0.00 C ATOM 696 O MET A 61 -35.347 -3.368 -17.323 1.00 0.00 O ATOM 697 CB MET A 61 -38.543 -3.065 -16.971 1.00 0.00 C ATOM 698 CG MET A 61 -39.834 -3.551 -17.636 1.00 0.00 C ATOM 699 SD MET A 61 -41.023 -2.188 -17.711 1.00 0.00 S ATOM 700 CE MET A 61 -42.472 -3.176 -18.158 1.00 0.00 C ATOM 0 H MET A 61 -38.883 -4.986 -15.468 1.00 0.00 H new ATOM 0 HA MET A 61 -37.445 -4.692 -17.860 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.759 -2.682 -15.974 1.00 0.00 H new ATOM 0 HB3 MET A 61 -38.116 -2.241 -17.544 1.00 0.00 H new ATOM 0 HG2 MET A 61 -39.622 -3.919 -18.640 1.00 0.00 H new ATOM 0 HG3 MET A 61 -40.255 -4.384 -17.073 1.00 0.00 H new ATOM 0 HE1 MET A 61 -43.340 -2.524 -18.259 1.00 0.00 H new ATOM 0 HE2 MET A 61 -42.288 -3.684 -19.105 1.00 0.00 H new ATOM 0 HE3 MET A 61 -42.662 -3.916 -17.380 1.00 0.00 H new ATOM 710 N GLU A 62 -35.946 -3.612 -15.171 1.00 0.00 N ATOM 711 CA GLU A 62 -34.666 -3.133 -14.663 1.00 0.00 C ATOM 712 C GLU A 62 -33.558 -4.106 -15.054 1.00 0.00 C ATOM 713 O GLU A 62 -32.544 -3.710 -15.622 1.00 0.00 O ATOM 714 CB GLU A 62 -34.724 -2.994 -13.141 1.00 0.00 C ATOM 715 CG GLU A 62 -33.420 -2.382 -12.627 1.00 0.00 C ATOM 716 CD GLU A 62 -33.327 -0.923 -13.064 1.00 0.00 C ATOM 717 OE1 GLU A 62 -34.309 -0.411 -13.578 1.00 0.00 O ATOM 718 OE2 GLU A 62 -32.272 -0.341 -12.882 1.00 0.00 O ATOM 0 H GLU A 62 -36.621 -3.872 -14.451 1.00 0.00 H new ATOM 0 HA GLU A 62 -34.455 -2.156 -15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -35.568 -2.366 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -34.884 -3.970 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -33.380 -2.449 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -32.568 -2.942 -13.013 1.00 0.00 H new ATOM 725 N LEU A 63 -33.761 -5.378 -14.750 1.00 0.00 N ATOM 726 CA LEU A 63 -32.779 -6.396 -15.084 1.00 0.00 C ATOM 727 C LEU A 63 -32.580 -6.456 -16.593 1.00 0.00 C ATOM 728 O LEU A 63 -31.478 -6.733 -17.075 1.00 0.00 O ATOM 729 CB LEU A 63 -33.248 -7.767 -14.576 1.00 0.00 C ATOM 730 CG LEU A 63 -32.044 -8.724 -14.469 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.378 -8.560 -13.100 1.00 0.00 C ATOM 732 CD2 LEU A 63 -32.522 -10.168 -14.637 1.00 0.00 C ATOM 0 H LEU A 63 -34.593 -5.729 -14.275 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.834 -6.138 -14.606 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.727 -7.660 -13.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -33.994 -8.181 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.323 -8.488 -15.252 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.527 -9.237 -13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -31.035 -7.532 -12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -32.097 -8.794 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -31.671 -10.844 -14.561 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -33.244 -10.405 -13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -32.992 -10.284 -15.614 1.00 0.00 H new ATOM 744 N ILE A 64 -33.661 -6.203 -17.341 1.00 0.00 N ATOM 745 CA ILE A 64 -33.590 -6.239 -18.793 1.00 0.00 C ATOM 746 C ILE A 64 -32.897 -4.990 -19.326 1.00 0.00 C ATOM 747 O ILE A 64 -31.878 -5.076 -20.008 1.00 0.00 O ATOM 748 CB ILE A 64 -35.000 -6.341 -19.376 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.600 -7.708 -19.028 1.00 0.00 C ATOM 750 CG2 ILE A 64 -34.942 -6.182 -20.896 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.099 -7.698 -19.332 1.00 0.00 C ATOM 0 H ILE A 64 -34.581 -5.975 -16.964 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.010 -7.112 -19.094 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.622 -5.552 -18.954 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.106 -8.491 -19.604 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.433 -7.933 -17.975 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -35.948 -6.255 -21.308 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.518 -5.209 -21.144 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.318 -6.968 -21.321 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.527 -8.670 -19.085 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.586 -6.925 -18.737 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.254 -7.492 -20.391 1.00 0.00 H new ATOM 763 N GLU A 65 -33.452 -3.831 -18.995 1.00 0.00 N ATOM 764 CA GLU A 65 -32.877 -2.568 -19.439 1.00 0.00 C ATOM 765 C GLU A 65 -31.398 -2.523 -19.086 1.00 0.00 C ATOM 766 O GLU A 65 -30.573 -2.070 -19.880 1.00 0.00 O ATOM 767 CB GLU A 65 -33.604 -1.399 -18.768 1.00 0.00 C ATOM 768 CG GLU A 65 -35.001 -1.246 -19.372 1.00 0.00 C ATOM 769 CD GLU A 65 -34.894 -0.737 -20.807 1.00 0.00 C ATOM 770 OE1 GLU A 65 -33.872 -0.155 -21.132 1.00 0.00 O ATOM 771 OE2 GLU A 65 -35.835 -0.936 -21.557 1.00 0.00 O ATOM 0 H GLU A 65 -34.293 -3.739 -18.425 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.991 -2.486 -20.520 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -33.678 -1.572 -17.694 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.036 -0.479 -18.904 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -35.521 -2.204 -19.355 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -35.591 -0.552 -18.774 1.00 0.00 H new ATOM 778 N LEU A 66 -31.069 -3.000 -17.888 1.00 0.00 N ATOM 779 CA LEU A 66 -29.678 -3.005 -17.448 1.00 0.00 C ATOM 780 C LEU A 66 -28.841 -3.913 -18.338 1.00 0.00 C ATOM 781 O LEU A 66 -27.997 -3.447 -19.100 1.00 0.00 O ATOM 782 CB LEU A 66 -29.593 -3.493 -16.000 1.00 0.00 C ATOM 783 CG LEU A 66 -28.206 -3.172 -15.423 1.00 0.00 C ATOM 784 CD1 LEU A 66 -28.175 -1.720 -14.925 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.907 -4.115 -14.254 1.00 0.00 C ATOM 0 H LEU A 66 -31.734 -3.382 -17.215 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.290 -1.989 -17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -30.366 -3.014 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.775 -4.567 -15.957 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.455 -3.304 -16.201 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -27.189 -1.496 -14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -28.385 -1.046 -15.755 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.928 -1.585 -14.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.923 -3.887 -13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.662 -3.984 -13.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -27.924 -5.147 -14.605 1.00 0.00 H new ATOM 797 N SER A 67 -29.079 -5.217 -18.238 1.00 0.00 N ATOM 798 CA SER A 67 -28.337 -6.187 -19.043 1.00 0.00 C ATOM 799 C SER A 67 -28.129 -5.648 -20.453 1.00 0.00 C ATOM 800 O SER A 67 -27.016 -5.683 -20.980 1.00 0.00 O ATOM 801 CB SER A 67 -29.109 -7.506 -19.103 1.00 0.00 C ATOM 802 OG SER A 67 -29.403 -7.943 -17.782 1.00 0.00 O ATOM 0 H SER A 67 -29.774 -5.626 -17.613 1.00 0.00 H new ATOM 0 HA SER A 67 -27.364 -6.359 -18.583 1.00 0.00 H new ATOM 0 HB2 SER A 67 -30.032 -7.374 -19.668 1.00 0.00 H new ATOM 0 HB3 SER A 67 -28.521 -8.261 -19.625 1.00 0.00 H new ATOM 0 HG SER A 67 -30.331 -7.716 -17.561 1.00 0.00 H new ATOM 808 N GLN A 68 -29.201 -5.138 -21.048 1.00 0.00 N ATOM 809 CA GLN A 68 -29.118 -4.578 -22.394 1.00 0.00 C ATOM 810 C GLN A 68 -28.096 -3.450 -22.427 1.00 0.00 C ATOM 811 O GLN A 68 -27.092 -3.538 -23.128 1.00 0.00 O ATOM 812 CB GLN A 68 -30.488 -4.055 -22.829 1.00 0.00 C ATOM 813 CG GLN A 68 -30.440 -3.663 -24.305 1.00 0.00 C ATOM 814 CD GLN A 68 -31.819 -3.210 -24.768 1.00 0.00 C ATOM 815 OE1 GLN A 68 -32.804 -3.925 -24.580 1.00 0.00 O ATOM 816 NE2 GLN A 68 -31.950 -2.058 -25.369 1.00 0.00 N ATOM 0 H GLN A 68 -30.129 -5.100 -20.626 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.803 -5.361 -23.084 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.248 -4.820 -22.670 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.770 -3.194 -22.222 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -29.716 -2.862 -24.454 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.106 -4.510 -24.904 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -31.133 -1.468 -25.524 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -32.870 -1.749 -25.684 1.00 0.00 H new ATOM 825 N GLN A 69 -28.358 -2.395 -21.654 1.00 0.00 N ATOM 826 CA GLN A 69 -27.442 -1.251 -21.587 1.00 0.00 C ATOM 827 C GLN A 69 -25.999 -1.746 -21.660 1.00 0.00 C ATOM 828 O GLN A 69 -25.190 -1.229 -22.427 1.00 0.00 O ATOM 829 CB GLN A 69 -27.670 -0.478 -20.286 1.00 0.00 C ATOM 830 CG GLN A 69 -28.896 0.419 -20.431 1.00 0.00 C ATOM 831 CD GLN A 69 -28.560 1.612 -21.315 1.00 0.00 C ATOM 832 OE1 GLN A 69 -27.654 2.384 -20.998 1.00 0.00 O ATOM 833 NE2 GLN A 69 -29.230 1.811 -22.417 1.00 0.00 N ATOM 0 H GLN A 69 -29.189 -2.307 -21.069 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.633 -0.585 -22.429 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -27.811 -1.173 -19.458 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -26.792 0.124 -20.050 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -29.722 -0.145 -20.864 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -29.225 0.763 -19.450 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -29.980 1.172 -22.680 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -29.003 2.605 -23.015 1.00 0.00 H new ATOM 842 N ILE A 70 -25.698 -2.769 -20.862 1.00 0.00 N ATOM 843 CA ILE A 70 -24.360 -3.345 -20.860 1.00 0.00 C ATOM 844 C ILE A 70 -24.068 -4.005 -22.205 1.00 0.00 C ATOM 845 O ILE A 70 -22.963 -3.893 -22.739 1.00 0.00 O ATOM 846 CB ILE A 70 -24.227 -4.374 -19.735 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.267 -3.660 -18.382 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.899 -5.126 -19.879 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.323 -4.699 -17.257 1.00 0.00 C ATOM 0 H ILE A 70 -26.355 -3.209 -20.218 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.638 -2.545 -20.694 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.052 -5.084 -19.795 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.386 -3.029 -18.265 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.137 -3.005 -18.330 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.807 -5.858 -19.077 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.873 -5.637 -20.841 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.072 -4.418 -19.821 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.351 -4.191 -16.293 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.218 -5.311 -17.371 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.440 -5.336 -17.305 1.00 0.00 H new ATOM 861 N ASN A 71 -25.060 -4.720 -22.729 1.00 0.00 N ATOM 862 CA ASN A 71 -24.892 -5.420 -23.993 1.00 0.00 C ATOM 863 C ASN A 71 -24.554 -4.444 -25.110 1.00 0.00 C ATOM 864 O ASN A 71 -23.637 -4.676 -25.889 1.00 0.00 O ATOM 865 CB ASN A 71 -26.175 -6.171 -24.348 1.00 0.00 C ATOM 866 CG ASN A 71 -25.979 -6.971 -25.630 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.028 -6.411 -26.726 1.00 0.00 O ATOM 868 ND2 ASN A 71 -25.763 -8.255 -25.560 1.00 0.00 N ATOM 0 H ASN A 71 -25.979 -4.828 -22.301 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.070 -6.128 -23.884 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.451 -6.839 -23.532 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.996 -5.465 -24.473 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.634 -8.798 -26.414 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.723 -8.717 -24.651 1.00 0.00 H new ATOM 875 N MET A 72 -25.290 -3.346 -25.169 1.00 0.00 N ATOM 876 CA MET A 72 -25.056 -2.332 -26.187 1.00 0.00 C ATOM 877 C MET A 72 -23.712 -1.646 -25.966 1.00 0.00 C ATOM 878 O MET A 72 -23.040 -1.255 -26.922 1.00 0.00 O ATOM 879 CB MET A 72 -26.176 -1.289 -26.157 1.00 0.00 C ATOM 880 CG MET A 72 -27.489 -1.935 -26.603 1.00 0.00 C ATOM 881 SD MET A 72 -28.785 -0.675 -26.684 1.00 0.00 S ATOM 882 CE MET A 72 -29.953 -1.616 -27.700 1.00 0.00 C ATOM 0 H MET A 72 -26.053 -3.133 -24.526 1.00 0.00 H new ATOM 0 HA MET A 72 -25.043 -2.822 -27.161 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.282 -0.883 -25.151 1.00 0.00 H new ATOM 0 HB3 MET A 72 -25.928 -0.455 -26.813 1.00 0.00 H new ATOM 0 HG2 MET A 72 -27.362 -2.405 -27.578 1.00 0.00 H new ATOM 0 HG3 MET A 72 -27.775 -2.722 -25.905 1.00 0.00 H new ATOM 0 HE1 MET A 72 -30.910 -1.095 -27.730 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.560 -1.712 -28.712 1.00 0.00 H new ATOM 0 HE3 MET A 72 -30.093 -2.608 -27.270 1.00 0.00 H new ATOM 892 N ASN A 73 -23.339 -1.483 -24.701 1.00 0.00 N ATOM 893 CA ASN A 73 -22.083 -0.828 -24.370 1.00 0.00 C ATOM 894 C ASN A 73 -20.898 -1.693 -24.772 1.00 0.00 C ATOM 895 O ASN A 73 -19.990 -1.241 -25.467 1.00 0.00 O ATOM 896 CB ASN A 73 -22.026 -0.546 -22.865 1.00 0.00 C ATOM 897 CG ASN A 73 -22.946 0.622 -22.520 1.00 0.00 C ATOM 898 OD1 ASN A 73 -23.359 1.372 -23.405 1.00 0.00 O ATOM 899 ND2 ASN A 73 -23.293 0.823 -21.277 1.00 0.00 N ATOM 0 H ASN A 73 -23.884 -1.793 -23.896 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.030 0.111 -24.921 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.326 -1.434 -22.308 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -21.003 -0.315 -22.568 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.907 1.602 -21.038 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.950 0.201 -20.545 1.00 0.00 H new ATOM 906 N LEU A 74 -20.904 -2.941 -24.314 1.00 0.00 N ATOM 907 CA LEU A 74 -19.814 -3.866 -24.612 1.00 0.00 C ATOM 908 C LEU A 74 -20.191 -4.797 -25.752 1.00 0.00 C ATOM 909 O LEU A 74 -19.523 -5.803 -25.987 1.00 0.00 O ATOM 910 CB LEU A 74 -19.467 -4.685 -23.360 1.00 0.00 C ATOM 911 CG LEU A 74 -18.572 -3.856 -22.426 1.00 0.00 C ATOM 912 CD1 LEU A 74 -17.188 -3.642 -23.078 1.00 0.00 C ATOM 913 CD2 LEU A 74 -19.234 -2.496 -22.162 1.00 0.00 C ATOM 0 H LEU A 74 -21.648 -3.335 -23.737 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.943 -3.285 -24.917 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.380 -4.976 -22.840 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.956 -5.605 -23.646 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.443 -4.388 -21.484 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -16.558 -3.054 -22.411 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -16.719 -4.609 -23.261 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -17.309 -3.113 -24.023 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -18.601 -1.906 -21.499 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -19.366 -1.966 -23.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.206 -2.649 -21.693 1.00 0.00 H new ATOM 925 N GLY A 75 -21.259 -4.454 -26.451 1.00 0.00 N ATOM 926 CA GLY A 75 -21.714 -5.268 -27.571 1.00 0.00 C ATOM 927 C GLY A 75 -21.973 -6.703 -27.131 1.00 0.00 C ATOM 928 O GLY A 75 -21.836 -7.637 -27.922 1.00 0.00 O ATOM 0 H GLY A 75 -21.825 -3.625 -26.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -22.626 -4.841 -27.989 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -20.965 -5.256 -28.363 1.00 0.00 H new ATOM 932 N GLY A 76 -22.350 -6.874 -25.867 1.00 0.00 N ATOM 933 CA GLY A 76 -22.626 -8.208 -25.338 1.00 0.00 C ATOM 934 C GLY A 76 -21.354 -8.880 -24.843 1.00 0.00 C ATOM 935 O GLY A 76 -20.988 -9.956 -25.313 1.00 0.00 O ATOM 0 H GLY A 76 -22.471 -6.116 -25.196 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.344 -8.136 -24.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.086 -8.821 -26.113 1.00 0.00 H new ATOM 939 N HIS A 77 -20.689 -8.244 -23.883 1.00 0.00 N ATOM 940 CA HIS A 77 -19.466 -8.799 -23.323 1.00 0.00 C ATOM 941 C HIS A 77 -19.158 -8.167 -21.970 1.00 0.00 C ATOM 942 O HIS A 77 -19.086 -6.949 -21.844 1.00 0.00 O ATOM 943 CB HIS A 77 -18.292 -8.566 -24.279 1.00 0.00 C ATOM 944 CG HIS A 77 -18.410 -9.490 -25.456 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.906 -9.070 -26.680 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.105 -10.819 -25.611 1.00 0.00 C ATOM 947 CE1 HIS A 77 -18.884 -10.128 -27.510 1.00 0.00 C ATOM 948 NE2 HIS A 77 -18.405 -11.219 -26.909 1.00 0.00 N ATOM 0 H HIS A 77 -20.975 -7.351 -23.481 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.611 -9.871 -23.186 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.285 -7.530 -24.617 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.348 -8.739 -23.761 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -17.695 -11.457 -24.842 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.214 -10.098 -28.538 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -18.285 -12.147 -27.315 1.00 0.00 H new ATOM 956 N VAL A 78 -18.971 -9.003 -20.953 1.00 0.00 N ATOM 957 CA VAL A 78 -18.654 -8.509 -19.614 1.00 0.00 C ATOM 958 C VAL A 78 -17.501 -9.309 -19.022 1.00 0.00 C ATOM 959 O VAL A 78 -17.551 -10.536 -18.962 1.00 0.00 O ATOM 960 CB VAL A 78 -19.888 -8.606 -18.713 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.481 -8.365 -17.259 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.906 -7.554 -19.141 1.00 0.00 C ATOM 0 H VAL A 78 -19.033 -10.018 -21.028 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.354 -7.463 -19.683 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.329 -9.599 -18.802 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.360 -8.434 -16.619 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.751 -9.116 -16.956 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.041 -7.372 -17.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.787 -7.619 -18.502 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.464 -6.562 -19.050 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.196 -7.728 -20.177 1.00 0.00 H new ATOM 972 N ASP A 79 -16.466 -8.607 -18.569 1.00 0.00 N ATOM 973 CA ASP A 79 -15.304 -9.259 -17.966 1.00 0.00 C ATOM 974 C ASP A 79 -15.423 -9.296 -16.452 1.00 0.00 C ATOM 975 O ASP A 79 -16.107 -8.470 -15.853 1.00 0.00 O ATOM 976 CB ASP A 79 -14.032 -8.513 -18.366 1.00 0.00 C ATOM 977 CG ASP A 79 -13.783 -8.661 -19.866 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.687 -9.100 -20.556 1.00 0.00 O ATOM 979 OD2 ASP A 79 -12.688 -8.341 -20.299 1.00 0.00 O ATOM 0 H ASP A 79 -16.407 -7.589 -18.607 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.258 -10.285 -18.330 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.124 -7.458 -18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.181 -8.905 -17.808 1.00 0.00 H new ATOM 984 N PHE A 80 -14.752 -10.266 -15.837 1.00 0.00 N ATOM 985 CA PHE A 80 -14.791 -10.397 -14.386 1.00 0.00 C ATOM 986 C PHE A 80 -14.583 -9.038 -13.730 1.00 0.00 C ATOM 987 O PHE A 80 -15.018 -8.811 -12.600 1.00 0.00 O ATOM 988 CB PHE A 80 -13.701 -11.368 -13.919 1.00 0.00 C ATOM 989 CG PHE A 80 -13.636 -11.368 -12.407 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.745 -11.783 -11.661 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.471 -10.947 -11.754 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.690 -11.778 -10.264 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.416 -10.943 -10.357 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.524 -11.359 -9.612 1.00 0.00 C ATOM 0 H PHE A 80 -14.182 -10.964 -16.315 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.767 -10.786 -14.096 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.914 -12.373 -14.284 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.737 -11.076 -14.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.644 -12.107 -12.165 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.615 -10.626 -12.329 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.546 -12.097 -9.688 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.518 -10.619 -9.853 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.480 -11.357 -8.533 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.922 -8.135 -14.444 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.664 -6.799 -13.917 1.00 0.00 C ATOM 1006 C ASP A 81 -14.934 -5.962 -13.972 1.00 0.00 C ATOM 1007 O ASP A 81 -15.344 -5.376 -12.977 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.559 -6.116 -14.728 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.219 -6.794 -14.464 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -10.894 -6.984 -13.303 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.540 -7.115 -15.425 1.00 0.00 O ATOM 0 H ASP A 81 -13.557 -8.300 -15.382 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.340 -6.889 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.796 -6.163 -15.791 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.500 -5.061 -14.461 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.564 -5.927 -15.144 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.796 -5.173 -15.314 1.00 0.00 C ATOM 1018 C ASP A 82 -17.893 -5.755 -14.429 1.00 0.00 C ATOM 1019 O ASP A 82 -18.670 -5.021 -13.830 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.235 -5.207 -16.784 1.00 0.00 C ATOM 1021 CG ASP A 82 -16.533 -4.107 -17.571 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -16.512 -2.987 -17.089 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -16.023 -4.403 -18.637 1.00 0.00 O ATOM 0 H ASP A 82 -15.242 -6.410 -15.983 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.618 -4.138 -15.021 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.002 -6.179 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.315 -5.079 -16.851 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.934 -7.075 -14.339 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.924 -7.745 -13.507 1.00 0.00 C ATOM 1030 C PHE A 83 -18.764 -7.314 -12.053 1.00 0.00 C ATOM 1031 O PHE A 83 -19.742 -7.015 -11.374 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.765 -9.264 -13.625 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.554 -9.948 -12.529 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.942 -9.783 -12.459 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.892 -10.732 -11.576 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.667 -10.406 -11.437 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.616 -11.353 -10.557 1.00 0.00 C ATOM 1038 CZ PHE A 83 -21.001 -11.192 -10.486 1.00 0.00 C ATOM 0 H PHE A 83 -17.297 -7.703 -14.829 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.920 -7.466 -13.849 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.114 -9.601 -14.601 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.712 -9.536 -13.552 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.452 -9.176 -13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.821 -10.856 -11.630 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.738 -10.282 -11.381 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -19.105 -11.958 -9.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.560 -11.674 -9.697 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.526 -7.297 -11.586 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.240 -6.900 -10.215 1.00 0.00 C ATOM 1050 C VAL A 84 -17.502 -5.410 -10.027 1.00 0.00 C ATOM 1051 O VAL A 84 -18.054 -4.989 -9.010 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.785 -7.228 -9.866 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.421 -6.577 -8.521 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.617 -8.745 -9.753 1.00 0.00 C ATOM 0 H VAL A 84 -16.704 -7.553 -12.134 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.898 -7.455 -9.547 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.130 -6.844 -10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.386 -6.810 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.542 -5.496 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.077 -6.963 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.582 -8.979 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.273 -9.126 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.876 -9.212 -10.703 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.070 -4.615 -10.999 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.239 -3.168 -10.923 1.00 0.00 C ATOM 1066 C GLU A 85 -18.712 -2.798 -10.888 1.00 0.00 C ATOM 1067 O GLU A 85 -19.146 -2.027 -10.035 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.564 -2.503 -12.126 1.00 0.00 C ATOM 1069 CG GLU A 85 -15.044 -2.534 -11.951 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.629 -1.596 -10.823 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.392 -0.694 -10.519 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -13.550 -1.787 -10.286 1.00 0.00 O ATOM 0 H GLU A 85 -16.603 -4.945 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.773 -2.814 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.844 -3.020 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.907 -1.473 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.716 -3.550 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.557 -2.237 -12.880 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.472 -3.365 -11.805 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.906 -3.106 -11.858 1.00 0.00 C ATOM 1081 C LEU A 86 -21.598 -3.620 -10.613 1.00 0.00 C ATOM 1082 O LEU A 86 -22.546 -3.005 -10.121 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.517 -3.756 -13.119 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.522 -2.745 -14.274 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.554 -1.631 -13.976 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -20.119 -2.119 -14.432 1.00 0.00 C ATOM 0 H LEU A 86 -19.128 -4.005 -12.521 1.00 0.00 H new ATOM 0 HA LEU A 86 -21.057 -2.028 -11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.943 -4.639 -13.399 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.534 -4.090 -12.911 1.00 0.00 H new ATOM 0 HG LEU A 86 -21.790 -3.257 -15.198 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -22.559 -0.912 -14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.546 -2.072 -13.873 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.285 -1.124 -13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -20.131 -1.403 -15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -19.842 -1.609 -13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -19.393 -2.903 -14.645 1.00 0.00 H new ATOM 1098 N MET A 87 -21.137 -4.752 -10.128 1.00 0.00 N ATOM 1099 CA MET A 87 -21.721 -5.359 -8.945 1.00 0.00 C ATOM 1100 C MET A 87 -21.686 -4.379 -7.779 1.00 0.00 C ATOM 1101 O MET A 87 -22.592 -4.357 -6.946 1.00 0.00 O ATOM 1102 CB MET A 87 -20.950 -6.629 -8.568 1.00 0.00 C ATOM 1103 CG MET A 87 -21.612 -7.298 -7.357 1.00 0.00 C ATOM 1104 SD MET A 87 -21.029 -6.503 -5.839 1.00 0.00 S ATOM 1105 CE MET A 87 -21.830 -7.629 -4.674 1.00 0.00 C ATOM 0 H MET A 87 -20.359 -5.273 -10.532 1.00 0.00 H new ATOM 0 HA MET A 87 -22.757 -5.619 -9.164 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.933 -7.319 -9.412 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.914 -6.381 -8.337 1.00 0.00 H new ATOM 0 HG2 MET A 87 -22.696 -7.216 -7.430 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.373 -8.361 -7.339 1.00 0.00 H new ATOM 0 HE1 MET A 87 -21.601 -7.321 -3.654 1.00 0.00 H new ATOM 0 HE2 MET A 87 -22.909 -7.604 -4.827 1.00 0.00 H new ATOM 0 HE3 MET A 87 -21.464 -8.643 -4.838 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.631 -3.574 -7.724 1.00 0.00 N ATOM 1116 CA GLY A 88 -20.487 -2.594 -6.654 1.00 0.00 C ATOM 1117 C GLY A 88 -20.601 -3.265 -5.288 1.00 0.00 C ATOM 1118 O GLY A 88 -21.677 -3.299 -4.690 1.00 0.00 O ATOM 0 H GLY A 88 -19.869 -3.580 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.522 -2.094 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -21.254 -1.826 -6.752 1.00 0.00 H new