USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=11 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 50 CYS SG : rot 72:sc= -2.23! USER MOD Set 1.2: A 54 MET CE :methyl 144:sc= -0.718 (180deg=-1.18) USER MOD Set 2.1: A 44 CYS SG : rot 120:sc= -0.713 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.516 K(o=-1.2,f=-2.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0563) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -8.45! C(o=-8.4!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -0.0567 K(o=-0.057,f=-1.6!) USER MOD Single : A 51 MET CE :methyl -174:sc= 0 (180deg=-0.0131) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.031) USER MOD Single : A 67 SER OG : rot 107:sc= 0.14 USER MOD Single : A 68 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.59) USER MOD Single : A 69 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.6!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.7!) USER MOD Single : A 77 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-4!) USER MOD Single : A 87 MET CE :methyl 180:sc= -0.0186 (180deg=-0.0186) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -13.896 -6.906 2.330 1.00 0.00 N ATOM 31 CA ARG A 20 -13.720 -6.661 0.903 1.00 0.00 C ATOM 32 C ARG A 20 -12.835 -7.740 0.290 1.00 0.00 C ATOM 33 O ARG A 20 -13.287 -8.489 -0.578 1.00 0.00 O ATOM 34 CB ARG A 20 -13.087 -5.258 0.665 1.00 0.00 C ATOM 35 CG ARG A 20 -14.116 -4.301 0.053 1.00 0.00 C ATOM 36 CD ARG A 20 -14.217 -4.580 -1.446 1.00 0.00 C ATOM 37 NE ARG A 20 -15.422 -3.973 -1.981 1.00 0.00 N ATOM 38 CZ ARG A 20 -15.762 -4.130 -3.253 1.00 0.00 C ATOM 39 NH1 ARG A 20 -15.011 -4.847 -4.046 1.00 0.00 N ATOM 40 NH2 ARG A 20 -16.846 -3.570 -3.710 1.00 0.00 N ATOM 0 HA ARG A 20 -14.699 -6.689 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.721 -4.853 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.227 -5.349 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.087 -4.437 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.819 -3.267 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.341 -4.183 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.231 -5.655 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.017 -3.416 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.163 -5.286 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.272 -4.968 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.432 -3.012 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.109 -3.690 -4.688 1.00 0.00 H new ATOM 54 N PRO A 21 -11.595 -7.819 0.708 1.00 0.00 N ATOM 55 CA PRO A 21 -10.626 -8.817 0.166 1.00 0.00 C ATOM 56 C PRO A 21 -11.171 -10.240 0.241 1.00 0.00 C ATOM 57 O PRO A 21 -10.945 -11.049 -0.660 1.00 0.00 O ATOM 58 CB PRO A 21 -9.378 -8.635 1.066 1.00 0.00 C ATOM 59 CG PRO A 21 -9.853 -7.850 2.253 1.00 0.00 C ATOM 60 CD PRO A 21 -10.977 -6.976 1.747 1.00 0.00 C ATOM 0 HA PRO A 21 -10.412 -8.661 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.969 -9.599 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.586 -8.106 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.200 -8.512 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.047 -7.247 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.683 -6.725 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.607 -6.035 1.339 1.00 0.00 H new ATOM 68 N GLU A 22 -11.889 -10.537 1.313 1.00 0.00 N ATOM 69 CA GLU A 22 -12.458 -11.864 1.491 1.00 0.00 C ATOM 70 C GLU A 22 -13.566 -12.109 0.475 1.00 0.00 C ATOM 71 O GLU A 22 -13.760 -13.234 0.016 1.00 0.00 O ATOM 72 CB GLU A 22 -13.020 -12.010 2.909 1.00 0.00 C ATOM 73 CG GLU A 22 -11.873 -12.003 3.928 1.00 0.00 C ATOM 74 CD GLU A 22 -11.349 -10.584 4.122 1.00 0.00 C ATOM 75 OE1 GLU A 22 -12.100 -9.655 3.876 1.00 0.00 O ATOM 76 OE2 GLU A 22 -10.199 -10.446 4.507 1.00 0.00 O ATOM 0 H GLU A 22 -12.091 -9.882 2.068 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.669 -12.600 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.712 -11.195 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.586 -12.938 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.221 -12.403 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.068 -12.652 3.584 1.00 0.00 H new ATOM 83 N GLU A 23 -14.289 -11.048 0.128 1.00 0.00 N ATOM 84 CA GLU A 23 -15.374 -11.157 -0.833 1.00 0.00 C ATOM 85 C GLU A 23 -14.824 -11.369 -2.232 1.00 0.00 C ATOM 86 O GLU A 23 -15.352 -12.168 -3.004 1.00 0.00 O ATOM 87 CB GLU A 23 -16.233 -9.894 -0.800 1.00 0.00 C ATOM 88 CG GLU A 23 -16.975 -9.819 0.535 1.00 0.00 C ATOM 89 CD GLU A 23 -17.769 -8.519 0.618 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.760 -7.781 -0.354 1.00 0.00 O ATOM 91 OE2 GLU A 23 -18.371 -8.281 1.651 1.00 0.00 O ATOM 0 H GLU A 23 -14.142 -10.109 0.498 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.990 -12.015 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.607 -9.011 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.946 -9.904 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.646 -10.672 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.264 -9.874 1.359 1.00 0.00 H new ATOM 98 N ILE A 24 -13.760 -10.646 -2.557 1.00 0.00 N ATOM 99 CA ILE A 24 -13.152 -10.761 -3.884 1.00 0.00 C ATOM 100 C ILE A 24 -13.088 -12.215 -4.330 1.00 0.00 C ATOM 101 O ILE A 24 -13.221 -12.515 -5.517 1.00 0.00 O ATOM 102 CB ILE A 24 -11.740 -10.165 -3.871 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.817 -8.655 -3.598 1.00 0.00 C ATOM 104 CG2 ILE A 24 -11.054 -10.402 -5.218 1.00 0.00 C ATOM 105 CD1 ILE A 24 -12.624 -7.932 -4.696 1.00 0.00 C ATOM 0 H ILE A 24 -13.303 -9.982 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.773 -10.208 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.162 -10.650 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.281 -8.481 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.811 -8.239 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.052 -9.974 -5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.987 -11.473 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.634 -9.928 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.662 -6.865 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.144 -8.087 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.637 -8.332 -4.726 1.00 0.00 H new ATOM 117 N GLU A 25 -12.889 -13.107 -3.375 1.00 0.00 N ATOM 118 CA GLU A 25 -12.815 -14.528 -3.679 1.00 0.00 C ATOM 119 C GLU A 25 -14.163 -15.041 -4.174 1.00 0.00 C ATOM 120 O GLU A 25 -14.227 -15.891 -5.061 1.00 0.00 O ATOM 121 CB GLU A 25 -12.393 -15.305 -2.433 1.00 0.00 C ATOM 122 CG GLU A 25 -10.932 -14.992 -2.105 1.00 0.00 C ATOM 123 CD GLU A 25 -10.523 -15.706 -0.822 1.00 0.00 C ATOM 124 OE1 GLU A 25 -11.317 -15.719 0.104 1.00 0.00 O ATOM 125 OE2 GLU A 25 -9.422 -16.232 -0.786 1.00 0.00 O ATOM 0 H GLU A 25 -12.776 -12.876 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.075 -14.676 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.031 -15.037 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.518 -16.375 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.290 -15.308 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.798 -13.916 -1.991 1.00 0.00 H new ATOM 132 N GLU A 26 -15.239 -14.521 -3.592 1.00 0.00 N ATOM 133 CA GLU A 26 -16.580 -14.940 -3.979 1.00 0.00 C ATOM 134 C GLU A 26 -16.861 -14.557 -5.428 1.00 0.00 C ATOM 135 O GLU A 26 -17.548 -15.279 -6.149 1.00 0.00 O ATOM 136 CB GLU A 26 -17.618 -14.287 -3.063 1.00 0.00 C ATOM 137 CG GLU A 26 -17.476 -14.853 -1.648 1.00 0.00 C ATOM 138 CD GLU A 26 -18.471 -14.175 -0.714 1.00 0.00 C ATOM 139 OE1 GLU A 26 -19.253 -13.370 -1.194 1.00 0.00 O ATOM 140 OE2 GLU A 26 -18.438 -14.469 0.471 1.00 0.00 O ATOM 0 H GLU A 26 -15.209 -13.815 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.645 -16.024 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.479 -13.206 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.623 -14.474 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.650 -15.929 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.460 -14.698 -1.285 1.00 0.00 H new ATOM 147 N LEU A 27 -16.329 -13.418 -5.847 1.00 0.00 N ATOM 148 CA LEU A 27 -16.534 -12.950 -7.212 1.00 0.00 C ATOM 149 C LEU A 27 -15.931 -13.926 -8.210 1.00 0.00 C ATOM 150 O LEU A 27 -16.537 -14.227 -9.237 1.00 0.00 O ATOM 151 CB LEU A 27 -15.893 -11.564 -7.383 1.00 0.00 C ATOM 152 CG LEU A 27 -16.834 -10.483 -6.827 1.00 0.00 C ATOM 153 CD1 LEU A 27 -18.086 -10.344 -7.728 1.00 0.00 C ATOM 154 CD2 LEU A 27 -17.259 -10.861 -5.400 1.00 0.00 C ATOM 0 H LEU A 27 -15.756 -12.804 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.605 -12.882 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.936 -11.529 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.689 -11.375 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.309 -9.528 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.743 -9.575 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.780 -10.064 -8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.618 -11.295 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.926 -10.095 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.777 -11.820 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.376 -10.936 -4.765 1.00 0.00 H new ATOM 166 N ARG A 28 -14.732 -14.397 -7.914 1.00 0.00 N ATOM 167 CA ARG A 28 -14.052 -15.325 -8.803 1.00 0.00 C ATOM 168 C ARG A 28 -14.883 -16.589 -8.980 1.00 0.00 C ATOM 169 O ARG A 28 -14.995 -17.121 -10.083 1.00 0.00 O ATOM 170 CB ARG A 28 -12.686 -15.689 -8.223 1.00 0.00 C ATOM 171 CG ARG A 28 -11.776 -14.459 -8.239 1.00 0.00 C ATOM 172 CD ARG A 28 -10.415 -14.823 -7.645 1.00 0.00 C ATOM 173 NE ARG A 28 -9.556 -13.643 -7.593 1.00 0.00 N ATOM 174 CZ ARG A 28 -8.822 -13.277 -8.639 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.862 -13.976 -9.740 1.00 0.00 N ATOM 176 NH2 ARG A 28 -8.064 -12.218 -8.565 1.00 0.00 N ATOM 0 H ARG A 28 -14.211 -14.155 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.920 -14.848 -9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.799 -16.057 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.236 -16.494 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.654 -14.097 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.230 -13.650 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.545 -15.232 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.943 -15.599 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.519 -13.089 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.456 -14.803 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.299 -13.695 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.035 -11.671 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.501 -11.937 -9.368 1.00 0.00 H new ATOM 190 N GLU A 29 -15.463 -17.067 -7.882 1.00 0.00 N ATOM 191 CA GLU A 29 -16.282 -18.272 -7.929 1.00 0.00 C ATOM 192 C GLU A 29 -17.559 -18.024 -8.720 1.00 0.00 C ATOM 193 O GLU A 29 -17.949 -18.839 -9.552 1.00 0.00 O ATOM 194 CB GLU A 29 -16.638 -18.715 -6.508 1.00 0.00 C ATOM 195 CG GLU A 29 -15.364 -19.106 -5.758 1.00 0.00 C ATOM 196 CD GLU A 29 -14.736 -20.341 -6.396 1.00 0.00 C ATOM 197 OE1 GLU A 29 -15.442 -21.323 -6.558 1.00 0.00 O ATOM 198 OE2 GLU A 29 -13.561 -20.286 -6.715 1.00 0.00 O ATOM 0 H GLU A 29 -15.382 -16.642 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.710 -19.057 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.149 -17.908 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.326 -19.560 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.655 -18.278 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.596 -19.306 -4.712 1.00 0.00 H new ATOM 205 N ALA A 30 -18.209 -16.896 -8.454 1.00 0.00 N ATOM 206 CA ALA A 30 -19.444 -16.557 -9.150 1.00 0.00 C ATOM 207 C ALA A 30 -19.188 -16.351 -10.639 1.00 0.00 C ATOM 208 O ALA A 30 -19.922 -16.859 -11.483 1.00 0.00 O ATOM 209 CB ALA A 30 -20.045 -15.283 -8.555 1.00 0.00 C ATOM 0 H ALA A 30 -17.904 -16.206 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.143 -17.384 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.968 -15.036 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.260 -15.441 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.336 -14.462 -8.662 1.00 0.00 H new ATOM 215 N PHE A 31 -18.145 -15.598 -10.953 1.00 0.00 N ATOM 216 CA PHE A 31 -17.809 -15.319 -12.342 1.00 0.00 C ATOM 217 C PHE A 31 -17.660 -16.615 -13.127 1.00 0.00 C ATOM 218 O PHE A 31 -18.251 -16.771 -14.193 1.00 0.00 O ATOM 219 CB PHE A 31 -16.494 -14.537 -12.415 1.00 0.00 C ATOM 220 CG PHE A 31 -16.241 -14.102 -13.839 1.00 0.00 C ATOM 221 CD1 PHE A 31 -16.753 -12.885 -14.299 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.495 -14.916 -14.698 1.00 0.00 C ATOM 223 CE1 PHE A 31 -16.519 -12.478 -15.618 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.259 -14.507 -16.019 1.00 0.00 C ATOM 225 CZ PHE A 31 -15.772 -13.288 -16.478 1.00 0.00 C ATOM 0 H PHE A 31 -17.519 -15.171 -10.270 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.615 -14.728 -12.776 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.540 -13.666 -11.761 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.670 -15.157 -12.062 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.330 -12.258 -13.636 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.101 -15.858 -14.345 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -16.916 -11.538 -15.971 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.681 -15.133 -16.683 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.591 -12.974 -17.495 1.00 0.00 H new ATOM 235 N ARG A 32 -16.880 -17.544 -12.590 1.00 0.00 N ATOM 236 CA ARG A 32 -16.669 -18.830 -13.251 1.00 0.00 C ATOM 237 C ARG A 32 -17.931 -19.685 -13.198 1.00 0.00 C ATOM 238 O ARG A 32 -18.284 -20.350 -14.173 1.00 0.00 O ATOM 239 CB ARG A 32 -15.520 -19.577 -12.577 1.00 0.00 C ATOM 240 CG ARG A 32 -14.198 -18.867 -12.878 1.00 0.00 C ATOM 241 CD ARG A 32 -13.067 -19.540 -12.099 1.00 0.00 C ATOM 242 NE ARG A 32 -12.901 -20.921 -12.537 1.00 0.00 N ATOM 243 CZ ARG A 32 -12.060 -21.740 -11.916 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.366 -21.316 -10.897 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.930 -22.974 -12.327 1.00 0.00 N ATOM 0 H ARG A 32 -16.385 -17.435 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.422 -18.639 -14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.684 -19.621 -11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.482 -20.606 -12.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.989 -18.903 -13.947 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.267 -17.815 -12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.137 -18.990 -12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.286 -19.514 -11.032 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.439 -21.263 -13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.468 -20.354 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.721 -21.947 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.474 -23.306 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.285 -23.605 -11.851 1.00 0.00 H new ATOM 259 N GLU A 33 -18.602 -19.670 -12.054 1.00 0.00 N ATOM 260 CA GLU A 33 -19.816 -20.457 -11.876 1.00 0.00 C ATOM 261 C GLU A 33 -20.859 -20.079 -12.918 1.00 0.00 C ATOM 262 O GLU A 33 -21.750 -20.867 -13.227 1.00 0.00 O ATOM 263 CB GLU A 33 -20.390 -20.230 -10.476 1.00 0.00 C ATOM 264 CG GLU A 33 -21.616 -21.123 -10.271 1.00 0.00 C ATOM 265 CD GLU A 33 -22.138 -20.974 -8.848 1.00 0.00 C ATOM 266 OE1 GLU A 33 -21.420 -20.424 -8.028 1.00 0.00 O ATOM 267 OE2 GLU A 33 -23.250 -21.409 -8.598 1.00 0.00 O ATOM 0 H GLU A 33 -18.328 -19.124 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.560 -21.510 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.635 -20.453 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.666 -19.183 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.396 -20.853 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.354 -22.163 -10.464 1.00 0.00 H new ATOM 274 N PHE A 34 -20.740 -18.872 -13.462 1.00 0.00 N ATOM 275 CA PHE A 34 -21.676 -18.389 -14.477 1.00 0.00 C ATOM 276 C PHE A 34 -20.999 -18.313 -15.838 1.00 0.00 C ATOM 277 O PHE A 34 -21.634 -17.970 -16.834 1.00 0.00 O ATOM 278 CB PHE A 34 -22.207 -17.006 -14.078 1.00 0.00 C ATOM 279 CG PHE A 34 -23.307 -17.162 -13.050 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.529 -17.733 -13.425 1.00 0.00 C ATOM 281 CD2 PHE A 34 -23.111 -16.740 -11.731 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.552 -17.878 -12.485 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.135 -16.885 -10.789 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.357 -17.452 -11.167 1.00 0.00 C ATOM 0 H PHE A 34 -20.005 -18.208 -13.218 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.509 -19.089 -14.544 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.399 -16.398 -13.671 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.587 -16.484 -14.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.681 -18.062 -14.442 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.168 -16.302 -11.439 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.494 -18.319 -12.776 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.982 -16.559 -9.771 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.149 -17.561 -10.441 1.00 0.00 H new ATOM 294 N ASP A 35 -19.711 -18.639 -15.881 1.00 0.00 N ATOM 295 CA ASP A 35 -18.973 -18.603 -17.137 1.00 0.00 C ATOM 296 C ASP A 35 -19.201 -19.886 -17.926 1.00 0.00 C ATOM 297 O ASP A 35 -18.564 -20.907 -17.669 1.00 0.00 O ATOM 298 CB ASP A 35 -17.480 -18.429 -16.857 1.00 0.00 C ATOM 299 CG ASP A 35 -16.739 -18.115 -18.150 1.00 0.00 C ATOM 300 OD1 ASP A 35 -17.374 -17.628 -19.068 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.544 -18.362 -18.198 1.00 0.00 O ATOM 0 H ASP A 35 -19.163 -18.928 -15.071 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.332 -17.760 -17.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.328 -17.625 -16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.078 -19.338 -16.409 1.00 0.00 H new ATOM 306 N LYS A 36 -20.116 -19.827 -18.886 1.00 0.00 N ATOM 307 CA LYS A 36 -20.426 -20.991 -19.708 1.00 0.00 C ATOM 308 C LYS A 36 -19.352 -21.203 -20.764 1.00 0.00 C ATOM 309 O LYS A 36 -19.625 -21.098 -21.957 1.00 0.00 O ATOM 310 CB LYS A 36 -21.775 -20.798 -20.394 1.00 0.00 C ATOM 311 CG LYS A 36 -22.886 -20.799 -19.343 1.00 0.00 C ATOM 312 CD LYS A 36 -24.228 -20.468 -20.010 1.00 0.00 C ATOM 313 CE LYS A 36 -24.745 -21.684 -20.787 1.00 0.00 C ATOM 314 NZ LYS A 36 -26.182 -21.486 -21.117 1.00 0.00 N ATOM 0 H LYS A 36 -20.654 -18.991 -19.114 1.00 0.00 H new ATOM 0 HA LYS A 36 -20.464 -21.867 -19.061 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -21.783 -19.858 -20.946 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.944 -21.595 -21.118 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -22.940 -21.774 -18.858 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -22.665 -20.068 -18.565 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -24.956 -20.174 -19.254 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -24.108 -19.620 -20.684 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.166 -21.818 -21.701 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -24.618 -22.589 -20.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.534 -22.310 -21.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.728 -21.378 -20.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.290 -20.631 -21.699 1.00 0.00 H new ATOM 328 N ASP A 37 -18.137 -21.500 -20.314 1.00 0.00 N ATOM 329 CA ASP A 37 -17.018 -21.728 -21.227 1.00 0.00 C ATOM 330 C ASP A 37 -15.695 -21.752 -20.461 1.00 0.00 C ATOM 331 O ASP A 37 -14.695 -22.281 -20.947 1.00 0.00 O ATOM 332 CB ASP A 37 -16.974 -20.619 -22.291 1.00 0.00 C ATOM 333 CG ASP A 37 -17.388 -19.292 -21.665 1.00 0.00 C ATOM 334 OD1 ASP A 37 -16.553 -18.678 -21.023 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.536 -18.912 -21.830 1.00 0.00 O ATOM 0 H ASP A 37 -17.901 -21.589 -19.326 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.162 -22.693 -21.713 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.969 -20.539 -22.706 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.641 -20.867 -23.117 1.00 0.00 H new ATOM 340 N LYS A 38 -15.694 -21.174 -19.263 1.00 0.00 N ATOM 341 CA LYS A 38 -14.491 -21.136 -18.446 1.00 0.00 C ATOM 342 C LYS A 38 -13.321 -20.583 -19.245 1.00 0.00 C ATOM 343 O LYS A 38 -12.172 -20.943 -19.007 1.00 0.00 O ATOM 344 CB LYS A 38 -14.150 -22.544 -17.955 1.00 0.00 C ATOM 345 CG LYS A 38 -15.387 -23.186 -17.327 1.00 0.00 C ATOM 346 CD LYS A 38 -15.815 -22.393 -16.089 1.00 0.00 C ATOM 347 CE LYS A 38 -16.749 -23.242 -15.225 1.00 0.00 C ATOM 348 NZ LYS A 38 -15.940 -24.206 -14.429 1.00 0.00 N ATOM 0 H LYS A 38 -16.509 -20.729 -18.841 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.675 -20.485 -17.591 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.795 -23.153 -18.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.342 -22.499 -17.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.201 -23.213 -18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.171 -24.218 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.938 -22.100 -15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.319 -21.475 -16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.331 -22.603 -14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.459 -23.778 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.442 -25.115 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.018 -24.348 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.795 -23.829 -13.471 1.00 0.00 H new ATOM 362 N ASP A 39 -13.626 -19.703 -20.197 1.00 0.00 N ATOM 363 CA ASP A 39 -12.592 -19.098 -21.034 1.00 0.00 C ATOM 364 C ASP A 39 -12.209 -17.722 -20.501 1.00 0.00 C ATOM 365 O ASP A 39 -11.381 -17.029 -21.090 1.00 0.00 O ATOM 366 CB ASP A 39 -13.093 -18.976 -22.473 1.00 0.00 C ATOM 367 CG ASP A 39 -14.393 -18.184 -22.507 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.627 -17.430 -21.577 1.00 0.00 O ATOM 369 OD2 ASP A 39 -15.137 -18.346 -23.460 1.00 0.00 O ATOM 0 H ASP A 39 -14.575 -19.394 -20.407 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.710 -19.738 -21.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.341 -18.482 -23.088 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.251 -19.968 -22.897 1.00 0.00 H new ATOM 374 N GLY A 40 -12.816 -17.331 -19.383 1.00 0.00 N ATOM 375 CA GLY A 40 -12.524 -16.039 -18.782 1.00 0.00 C ATOM 376 C GLY A 40 -13.258 -14.927 -19.512 1.00 0.00 C ATOM 377 O GLY A 40 -12.700 -13.856 -19.752 1.00 0.00 O ATOM 0 H GLY A 40 -13.507 -17.888 -18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.817 -16.046 -17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.450 -15.853 -18.812 1.00 0.00 H new ATOM 381 N TYR A 41 -14.513 -15.186 -19.861 1.00 0.00 N ATOM 382 CA TYR A 41 -15.318 -14.190 -20.570 1.00 0.00 C ATOM 383 C TYR A 41 -16.802 -14.502 -20.448 1.00 0.00 C ATOM 384 O TYR A 41 -17.194 -15.665 -20.400 1.00 0.00 O ATOM 385 CB TYR A 41 -14.931 -14.160 -22.048 1.00 0.00 C ATOM 386 CG TYR A 41 -13.559 -13.550 -22.203 1.00 0.00 C ATOM 387 CD1 TYR A 41 -13.407 -12.160 -22.166 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.441 -14.373 -22.382 1.00 0.00 C ATOM 389 CE1 TYR A 41 -12.138 -11.590 -22.308 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.169 -13.803 -22.524 1.00 0.00 C ATOM 391 CZ TYR A 41 -11.019 -12.411 -22.487 1.00 0.00 C ATOM 392 OH TYR A 41 -9.766 -11.850 -22.627 1.00 0.00 O ATOM 0 H TYR A 41 -14.993 -16.065 -19.669 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.124 -13.217 -20.118 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.938 -15.171 -22.456 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.662 -13.582 -22.614 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.271 -11.526 -22.028 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.559 -15.446 -22.411 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.022 -10.517 -22.280 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.305 -14.436 -22.662 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.101 -12.560 -22.741 1.00 0.00 H new ATOM 402 N ILE A 42 -17.625 -13.455 -20.406 1.00 0.00 N ATOM 403 CA ILE A 42 -19.070 -13.629 -20.300 1.00 0.00 C ATOM 404 C ILE A 42 -19.791 -12.423 -20.890 1.00 0.00 C ATOM 405 O ILE A 42 -19.158 -11.479 -21.347 1.00 0.00 O ATOM 406 CB ILE A 42 -19.473 -13.808 -18.833 1.00 0.00 C ATOM 407 CG1 ILE A 42 -18.932 -12.641 -18.009 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.896 -15.117 -18.295 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.542 -12.673 -16.608 1.00 0.00 C ATOM 0 H ILE A 42 -17.317 -12.483 -20.444 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.355 -14.520 -20.859 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.560 -13.835 -18.761 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.846 -12.702 -17.945 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.170 -11.697 -18.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.185 -15.240 -17.251 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.282 -15.952 -18.880 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.809 -15.093 -18.370 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.154 -11.839 -16.023 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.626 -12.591 -16.681 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.281 -13.612 -16.119 1.00 0.00 H new ATOM 421 N ASN A 43 -21.120 -12.466 -20.876 1.00 0.00 N ATOM 422 CA ASN A 43 -21.928 -11.370 -21.415 1.00 0.00 C ATOM 423 C ASN A 43 -23.138 -11.105 -20.523 1.00 0.00 C ATOM 424 O ASN A 43 -23.301 -11.736 -19.478 1.00 0.00 O ATOM 425 CB ASN A 43 -22.385 -11.708 -22.841 1.00 0.00 C ATOM 426 CG ASN A 43 -22.690 -13.198 -22.942 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.036 -13.833 -21.945 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.580 -13.799 -24.095 1.00 0.00 N ATOM 0 H ASN A 43 -21.661 -13.244 -20.499 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.317 -10.468 -21.442 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.271 -11.127 -23.097 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.609 -11.436 -23.556 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.781 -14.796 -24.172 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.293 -13.272 -24.920 1.00 0.00 H new ATOM 435 N CYS A 44 -23.969 -10.156 -20.940 1.00 0.00 N ATOM 436 CA CYS A 44 -25.155 -9.796 -20.170 1.00 0.00 C ATOM 437 C CYS A 44 -26.221 -10.882 -20.288 1.00 0.00 C ATOM 438 O CYS A 44 -27.415 -10.599 -20.237 1.00 0.00 O ATOM 439 CB CYS A 44 -25.715 -8.457 -20.670 1.00 0.00 C ATOM 440 SG CYS A 44 -25.600 -8.408 -22.472 1.00 0.00 S ATOM 0 H CYS A 44 -23.845 -9.625 -21.802 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.873 -9.699 -19.122 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.752 -8.342 -20.356 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.156 -7.629 -20.234 1.00 0.00 H new ATOM 0 HG CYS A 44 -26.789 -8.270 -22.979 1.00 0.00 H new ATOM 446 N ARG A 45 -25.781 -12.129 -20.439 1.00 0.00 N ATOM 447 CA ARG A 45 -26.716 -13.246 -20.557 1.00 0.00 C ATOM 448 C ARG A 45 -27.039 -13.817 -19.180 1.00 0.00 C ATOM 449 O ARG A 45 -28.181 -13.767 -18.732 1.00 0.00 O ATOM 450 CB ARG A 45 -26.116 -14.340 -21.441 1.00 0.00 C ATOM 451 CG ARG A 45 -26.032 -13.841 -22.884 1.00 0.00 C ATOM 452 CD ARG A 45 -25.641 -15.000 -23.800 1.00 0.00 C ATOM 453 NE ARG A 45 -24.319 -15.503 -23.449 1.00 0.00 N ATOM 454 CZ ARG A 45 -23.797 -16.556 -24.069 1.00 0.00 C ATOM 455 NH1 ARG A 45 -24.469 -17.159 -25.009 1.00 0.00 N ATOM 456 NH2 ARG A 45 -22.612 -16.988 -23.733 1.00 0.00 N ATOM 0 H ARG A 45 -24.796 -12.390 -20.482 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.637 -12.881 -21.012 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.124 -14.610 -21.080 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.729 -15.240 -21.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.991 -13.426 -23.193 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.298 -13.039 -22.961 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.375 -15.801 -23.717 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.647 -14.669 -24.838 1.00 0.00 H new ATOM 0 HE ARG A 45 -23.785 -15.039 -22.714 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.396 -16.823 -25.269 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -24.068 -17.967 -25.485 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -22.088 -16.517 -22.995 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.210 -17.796 -24.208 1.00 0.00 H new ATOM 470 N ASP A 46 -26.023 -14.355 -18.515 1.00 0.00 N ATOM 471 CA ASP A 46 -26.195 -14.935 -17.184 1.00 0.00 C ATOM 472 C ASP A 46 -25.872 -13.913 -16.108 1.00 0.00 C ATOM 473 O ASP A 46 -26.036 -14.175 -14.919 1.00 0.00 O ATOM 474 CB ASP A 46 -25.292 -16.156 -17.028 1.00 0.00 C ATOM 475 CG ASP A 46 -23.872 -15.821 -17.475 1.00 0.00 C ATOM 476 OD1 ASP A 46 -23.454 -14.696 -17.258 1.00 0.00 O ATOM 477 OD2 ASP A 46 -23.225 -16.694 -18.032 1.00 0.00 O ATOM 0 H ASP A 46 -25.070 -14.403 -18.874 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.236 -15.240 -17.071 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.286 -16.483 -15.988 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.682 -16.984 -17.620 1.00 0.00 H new ATOM 482 N LEU A 47 -25.405 -12.752 -16.530 1.00 0.00 N ATOM 483 CA LEU A 47 -25.053 -11.707 -15.584 1.00 0.00 C ATOM 484 C LEU A 47 -26.234 -11.397 -14.671 1.00 0.00 C ATOM 485 O LEU A 47 -26.096 -11.381 -13.449 1.00 0.00 O ATOM 486 CB LEU A 47 -24.648 -10.444 -16.347 1.00 0.00 C ATOM 487 CG LEU A 47 -24.191 -9.341 -15.349 1.00 0.00 C ATOM 488 CD1 LEU A 47 -22.970 -8.602 -15.907 1.00 0.00 C ATOM 489 CD2 LEU A 47 -25.327 -8.328 -15.125 1.00 0.00 C ATOM 0 H LEU A 47 -25.261 -12.510 -17.510 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.218 -12.050 -14.973 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.841 -10.673 -17.043 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.488 -10.083 -16.941 1.00 0.00 H new ATOM 0 HG LEU A 47 -23.932 -9.816 -14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.657 -7.832 -15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -22.154 -9.309 -16.058 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -23.229 -8.139 -16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.997 -7.560 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -25.593 -7.863 -16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -26.197 -8.842 -14.716 1.00 0.00 H new ATOM 501 N GLY A 48 -27.395 -11.150 -15.270 1.00 0.00 N ATOM 502 CA GLY A 48 -28.589 -10.843 -14.496 1.00 0.00 C ATOM 503 C GLY A 48 -28.937 -12.006 -13.575 1.00 0.00 C ATOM 504 O GLY A 48 -29.376 -11.803 -12.442 1.00 0.00 O ATOM 0 H GLY A 48 -27.532 -11.157 -16.281 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.427 -9.940 -13.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.423 -10.640 -15.167 1.00 0.00 H new ATOM 508 N ASN A 49 -28.737 -13.227 -14.068 1.00 0.00 N ATOM 509 CA ASN A 49 -29.031 -14.417 -13.277 1.00 0.00 C ATOM 510 C ASN A 49 -28.100 -14.510 -12.071 1.00 0.00 C ATOM 511 O ASN A 49 -28.439 -15.121 -11.058 1.00 0.00 O ATOM 512 CB ASN A 49 -28.873 -15.666 -14.141 1.00 0.00 C ATOM 513 CG ASN A 49 -29.995 -15.734 -15.172 1.00 0.00 C ATOM 514 OD1 ASN A 49 -31.090 -15.226 -14.933 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.783 -16.330 -16.313 1.00 0.00 N ATOM 0 H ASN A 49 -28.376 -13.416 -15.003 1.00 0.00 H new ATOM 0 HA ASN A 49 -30.058 -14.346 -12.920 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.906 -15.650 -14.644 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.891 -16.557 -13.513 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.526 -16.376 -17.010 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.874 -16.750 -16.508 1.00 0.00 H new ATOM 522 N CYS A 50 -26.925 -13.903 -12.189 1.00 0.00 N ATOM 523 CA CYS A 50 -25.952 -13.921 -11.102 1.00 0.00 C ATOM 524 C CYS A 50 -26.388 -13.010 -9.959 1.00 0.00 C ATOM 525 O CYS A 50 -26.137 -13.304 -8.791 1.00 0.00 O ATOM 526 CB CYS A 50 -24.582 -13.478 -11.628 1.00 0.00 C ATOM 527 SG CYS A 50 -23.291 -14.045 -10.495 1.00 0.00 S ATOM 0 H CYS A 50 -26.624 -13.395 -13.021 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.885 -14.939 -10.718 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.413 -13.888 -12.624 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.549 -12.392 -11.720 1.00 0.00 H new ATOM 0 HG CYS A 50 -23.148 -15.332 -10.609 1.00 0.00 H new ATOM 533 N MET A 51 -27.032 -11.899 -10.299 1.00 0.00 N ATOM 534 CA MET A 51 -27.485 -10.953 -9.298 1.00 0.00 C ATOM 535 C MET A 51 -28.520 -11.597 -8.393 1.00 0.00 C ATOM 536 O MET A 51 -28.535 -11.362 -7.184 1.00 0.00 O ATOM 537 CB MET A 51 -28.084 -9.719 -9.978 1.00 0.00 C ATOM 538 CG MET A 51 -27.009 -9.018 -10.817 1.00 0.00 C ATOM 539 SD MET A 51 -25.755 -8.311 -9.718 1.00 0.00 S ATOM 540 CE MET A 51 -24.674 -7.640 -11.004 1.00 0.00 C ATOM 0 H MET A 51 -27.250 -11.636 -11.260 1.00 0.00 H new ATOM 0 HA MET A 51 -26.631 -10.649 -8.693 1.00 0.00 H new ATOM 0 HB2 MET A 51 -28.921 -10.012 -10.612 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.478 -9.033 -9.228 1.00 0.00 H new ATOM 0 HG2 MET A 51 -26.548 -9.728 -11.504 1.00 0.00 H new ATOM 0 HG3 MET A 51 -27.460 -8.233 -11.424 1.00 0.00 H new ATOM 0 HE1 MET A 51 -23.767 -7.244 -10.547 1.00 0.00 H new ATOM 0 HE2 MET A 51 -24.411 -8.430 -11.707 1.00 0.00 H new ATOM 0 HE3 MET A 51 -25.192 -6.841 -11.534 1.00 0.00 H new ATOM 550 N ARG A 52 -29.388 -12.408 -8.987 1.00 0.00 N ATOM 551 CA ARG A 52 -30.426 -13.076 -8.227 1.00 0.00 C ATOM 552 C ARG A 52 -29.811 -14.003 -7.181 1.00 0.00 C ATOM 553 O ARG A 52 -30.314 -14.113 -6.062 1.00 0.00 O ATOM 554 CB ARG A 52 -31.337 -13.878 -9.160 1.00 0.00 C ATOM 555 CG ARG A 52 -32.556 -14.386 -8.381 1.00 0.00 C ATOM 556 CD ARG A 52 -33.440 -15.220 -9.309 1.00 0.00 C ATOM 557 NE ARG A 52 -34.026 -14.372 -10.342 1.00 0.00 N ATOM 558 CZ ARG A 52 -34.837 -14.877 -11.267 1.00 0.00 C ATOM 559 NH1 ARG A 52 -35.124 -16.149 -11.258 1.00 0.00 N ATOM 560 NH2 ARG A 52 -35.347 -14.099 -12.182 1.00 0.00 N ATOM 0 H ARG A 52 -29.390 -12.615 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 52 -31.020 -12.316 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.660 -13.254 -9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.789 -14.719 -9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.233 -14.987 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -33.122 -13.545 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.850 -16.013 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -34.230 -15.704 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.810 -13.375 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.726 -16.756 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.746 -16.536 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -35.124 -13.104 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -35.969 -14.486 -12.892 1.00 0.00 H new ATOM 574 N THR A 53 -28.721 -14.663 -7.557 1.00 0.00 N ATOM 575 CA THR A 53 -28.030 -15.569 -6.646 1.00 0.00 C ATOM 576 C THR A 53 -27.423 -14.802 -5.478 1.00 0.00 C ATOM 577 O THR A 53 -27.506 -15.233 -4.328 1.00 0.00 O ATOM 578 CB THR A 53 -26.938 -16.332 -7.394 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.532 -17.143 -8.398 1.00 0.00 O ATOM 580 CG2 THR A 53 -26.159 -17.209 -6.410 1.00 0.00 C ATOM 0 H THR A 53 -28.298 -14.588 -8.482 1.00 0.00 H new ATOM 0 HA THR A 53 -28.757 -16.279 -6.251 1.00 0.00 H new ATOM 0 HB THR A 53 -26.253 -15.625 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 -26.980 -17.939 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.380 -17.753 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.703 -16.581 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 53 -26.839 -17.919 -5.938 1.00 0.00 H new ATOM 588 N MET A 54 -26.804 -13.666 -5.783 1.00 0.00 N ATOM 589 CA MET A 54 -26.178 -12.845 -4.752 1.00 0.00 C ATOM 590 C MET A 54 -27.229 -12.268 -3.813 1.00 0.00 C ATOM 591 O MET A 54 -26.901 -11.660 -2.794 1.00 0.00 O ATOM 592 CB MET A 54 -25.379 -11.710 -5.396 1.00 0.00 C ATOM 593 CG MET A 54 -24.148 -12.287 -6.102 1.00 0.00 C ATOM 594 SD MET A 54 -23.170 -10.938 -6.807 1.00 0.00 S ATOM 595 CE MET A 54 -21.987 -11.963 -7.712 1.00 0.00 C ATOM 0 H MET A 54 -26.722 -13.294 -6.729 1.00 0.00 H new ATOM 0 HA MET A 54 -25.503 -13.476 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 54 -26.002 -11.172 -6.111 1.00 0.00 H new ATOM 0 HB3 MET A 54 -25.072 -10.991 -4.637 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.545 -12.858 -5.396 1.00 0.00 H new ATOM 0 HG3 MET A 54 -24.456 -12.977 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 54 -21.727 -11.475 -8.651 1.00 0.00 H new ATOM 0 HE2 MET A 54 -21.087 -12.097 -7.111 1.00 0.00 H new ATOM 0 HE3 MET A 54 -22.433 -12.936 -7.920 1.00 0.00 H new ATOM 605 N GLY A 55 -28.495 -12.460 -4.164 1.00 0.00 N ATOM 606 CA GLY A 55 -29.590 -11.959 -3.344 1.00 0.00 C ATOM 607 C GLY A 55 -29.789 -10.463 -3.558 1.00 0.00 C ATOM 608 O GLY A 55 -30.456 -9.800 -2.762 1.00 0.00 O ATOM 0 H GLY A 55 -28.787 -12.956 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.508 -12.491 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -29.382 -12.156 -2.292 1.00 0.00 H new ATOM 612 N TYR A 56 -29.212 -9.932 -4.638 1.00 0.00 N ATOM 613 CA TYR A 56 -29.341 -8.514 -4.931 1.00 0.00 C ATOM 614 C TYR A 56 -30.799 -8.153 -5.190 1.00 0.00 C ATOM 615 O TYR A 56 -31.116 -7.007 -5.515 1.00 0.00 O ATOM 616 CB TYR A 56 -28.500 -8.171 -6.159 1.00 0.00 C ATOM 617 CG TYR A 56 -28.627 -6.699 -6.465 1.00 0.00 C ATOM 618 CD1 TYR A 56 -27.878 -5.767 -5.738 1.00 0.00 C ATOM 619 CD2 TYR A 56 -29.497 -6.264 -7.474 1.00 0.00 C ATOM 620 CE1 TYR A 56 -27.997 -4.400 -6.019 1.00 0.00 C ATOM 621 CE2 TYR A 56 -29.614 -4.898 -7.755 1.00 0.00 C ATOM 622 CZ TYR A 56 -28.865 -3.966 -7.027 1.00 0.00 C ATOM 623 OH TYR A 56 -28.983 -2.619 -7.303 1.00 0.00 O ATOM 0 H TYR A 56 -28.659 -10.460 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 56 -28.988 -7.943 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -27.456 -8.427 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.830 -8.760 -7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -27.208 -6.102 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -30.077 -6.983 -8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -27.419 -3.681 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -30.283 -4.563 -8.534 1.00 0.00 H new ATOM 0 HH TYR A 56 -29.626 -2.489 -8.031 1.00 0.00 H new ATOM 633 N MET A 57 -31.682 -9.137 -5.054 1.00 0.00 N ATOM 634 CA MET A 57 -33.102 -8.912 -5.284 1.00 0.00 C ATOM 635 C MET A 57 -33.321 -8.131 -6.578 1.00 0.00 C ATOM 636 O MET A 57 -33.934 -7.065 -6.574 1.00 0.00 O ATOM 637 CB MET A 57 -33.707 -8.139 -4.110 1.00 0.00 C ATOM 638 CG MET A 57 -35.233 -8.262 -4.145 1.00 0.00 C ATOM 639 SD MET A 57 -35.963 -7.028 -3.041 1.00 0.00 S ATOM 640 CE MET A 57 -35.909 -8.020 -1.528 1.00 0.00 C ATOM 0 H MET A 57 -31.440 -10.091 -4.787 1.00 0.00 H new ATOM 0 HA MET A 57 -33.593 -9.881 -5.372 1.00 0.00 H new ATOM 0 HB2 MET A 57 -33.322 -8.529 -3.168 1.00 0.00 H new ATOM 0 HB3 MET A 57 -33.415 -7.090 -4.163 1.00 0.00 H new ATOM 0 HG2 MET A 57 -35.597 -8.116 -5.162 1.00 0.00 H new ATOM 0 HG3 MET A 57 -35.535 -9.264 -3.839 1.00 0.00 H new ATOM 0 HE1 MET A 57 -36.320 -7.443 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 57 -36.498 -8.926 -1.666 1.00 0.00 H new ATOM 0 HE3 MET A 57 -34.876 -8.289 -1.306 1.00 0.00 H new ATOM 650 N PRO A 58 -32.833 -8.647 -7.677 1.00 0.00 N ATOM 651 CA PRO A 58 -32.979 -7.990 -9.008 1.00 0.00 C ATOM 652 C PRO A 58 -34.398 -8.119 -9.551 1.00 0.00 C ATOM 653 O PRO A 58 -35.012 -9.182 -9.468 1.00 0.00 O ATOM 654 CB PRO A 58 -31.975 -8.745 -9.892 1.00 0.00 C ATOM 655 CG PRO A 58 -31.859 -10.106 -9.273 1.00 0.00 C ATOM 656 CD PRO A 58 -32.090 -9.916 -7.769 1.00 0.00 C ATOM 0 HA PRO A 58 -32.790 -6.917 -8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.326 -8.809 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -31.010 -8.238 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.595 -10.790 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -30.876 -10.538 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.660 -10.743 -7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -31.147 -9.866 -7.224 1.00 0.00 H new ATOM 664 N THR A 59 -34.914 -7.030 -10.113 1.00 0.00 N ATOM 665 CA THR A 59 -36.263 -7.034 -10.676 1.00 0.00 C ATOM 666 C THR A 59 -36.205 -7.224 -12.186 1.00 0.00 C ATOM 667 O THR A 59 -35.175 -6.973 -12.816 1.00 0.00 O ATOM 668 CB THR A 59 -36.965 -5.711 -10.348 1.00 0.00 C ATOM 669 OG1 THR A 59 -36.062 -4.635 -10.553 1.00 0.00 O ATOM 670 CG2 THR A 59 -37.424 -5.720 -8.888 1.00 0.00 C ATOM 0 H THR A 59 -34.424 -6.139 -10.191 1.00 0.00 H new ATOM 0 HA THR A 59 -36.824 -7.860 -10.239 1.00 0.00 H new ATOM 0 HB THR A 59 -37.832 -5.590 -10.998 1.00 0.00 H new ATOM 0 HG1 THR A 59 -36.510 -3.788 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 59 -37.923 -4.779 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 59 -38.117 -6.546 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 -36.559 -5.842 -8.236 1.00 0.00 H new ATOM 678 N GLU A 60 -37.315 -7.672 -12.761 1.00 0.00 N ATOM 679 CA GLU A 60 -37.380 -7.897 -14.198 1.00 0.00 C ATOM 680 C GLU A 60 -36.779 -6.717 -14.948 1.00 0.00 C ATOM 681 O GLU A 60 -36.293 -6.862 -16.066 1.00 0.00 O ATOM 682 CB GLU A 60 -38.838 -8.088 -14.630 1.00 0.00 C ATOM 683 CG GLU A 60 -39.400 -9.365 -13.996 1.00 0.00 C ATOM 684 CD GLU A 60 -38.678 -10.588 -14.554 1.00 0.00 C ATOM 685 OE1 GLU A 60 -38.097 -10.472 -15.619 1.00 0.00 O ATOM 686 OE2 GLU A 60 -38.719 -11.621 -13.907 1.00 0.00 O ATOM 0 H GLU A 60 -38.176 -7.885 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 60 -36.809 -8.795 -14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.433 -7.227 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -38.900 -8.152 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.281 -9.325 -12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -40.469 -9.440 -14.197 1.00 0.00 H new ATOM 693 N MET A 61 -36.807 -5.547 -14.324 1.00 0.00 N ATOM 694 CA MET A 61 -36.247 -4.353 -14.945 1.00 0.00 C ATOM 695 C MET A 61 -34.743 -4.294 -14.743 1.00 0.00 C ATOM 696 O MET A 61 -34.014 -3.843 -15.622 1.00 0.00 O ATOM 697 CB MET A 61 -36.902 -3.103 -14.342 1.00 0.00 C ATOM 698 CG MET A 61 -38.375 -3.042 -14.756 1.00 0.00 C ATOM 699 SD MET A 61 -39.152 -1.574 -14.032 1.00 0.00 S ATOM 700 CE MET A 61 -39.523 -2.283 -12.407 1.00 0.00 C ATOM 0 H MET A 61 -37.207 -5.399 -13.398 1.00 0.00 H new ATOM 0 HA MET A 61 -36.449 -4.392 -16.015 1.00 0.00 H new ATOM 0 HB2 MET A 61 -36.820 -3.126 -13.255 1.00 0.00 H new ATOM 0 HB3 MET A 61 -36.381 -2.208 -14.682 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.456 -3.010 -15.842 1.00 0.00 H new ATOM 0 HG3 MET A 61 -38.894 -3.941 -14.424 1.00 0.00 H new ATOM 0 HE1 MET A 61 -40.123 -1.578 -11.831 1.00 0.00 H new ATOM 0 HE2 MET A 61 -40.077 -3.213 -12.534 1.00 0.00 H new ATOM 0 HE3 MET A 61 -38.592 -2.485 -11.877 1.00 0.00 H new ATOM 710 N GLU A 62 -34.286 -4.754 -13.590 1.00 0.00 N ATOM 711 CA GLU A 62 -32.857 -4.748 -13.290 1.00 0.00 C ATOM 712 C GLU A 62 -32.145 -5.834 -14.074 1.00 0.00 C ATOM 713 O GLU A 62 -30.919 -5.855 -14.156 1.00 0.00 O ATOM 714 CB GLU A 62 -32.636 -4.962 -11.792 1.00 0.00 C ATOM 715 CG GLU A 62 -33.130 -3.737 -11.021 1.00 0.00 C ATOM 716 CD GLU A 62 -32.244 -2.534 -11.322 1.00 0.00 C ATOM 717 OE1 GLU A 62 -31.114 -2.747 -11.736 1.00 0.00 O ATOM 718 OE2 GLU A 62 -32.701 -1.420 -11.132 1.00 0.00 O ATOM 0 H GLU A 62 -34.875 -5.134 -12.849 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.447 -3.781 -13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.168 -5.853 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -31.578 -5.129 -11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -34.161 -3.516 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -33.123 -3.944 -9.951 1.00 0.00 H new ATOM 725 N LEU A 63 -32.922 -6.740 -14.647 1.00 0.00 N ATOM 726 CA LEU A 63 -32.360 -7.829 -15.426 1.00 0.00 C ATOM 727 C LEU A 63 -32.386 -7.491 -16.904 1.00 0.00 C ATOM 728 O LEU A 63 -31.588 -8.016 -17.677 1.00 0.00 O ATOM 729 CB LEU A 63 -33.146 -9.113 -15.171 1.00 0.00 C ATOM 730 CG LEU A 63 -32.487 -10.302 -15.934 1.00 0.00 C ATOM 731 CD1 LEU A 63 -32.464 -11.543 -15.040 1.00 0.00 C ATOM 732 CD2 LEU A 63 -33.285 -10.613 -17.210 1.00 0.00 C ATOM 0 H LEU A 63 -33.940 -6.742 -14.587 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.324 -7.978 -15.120 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.173 -9.326 -14.102 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -34.178 -8.988 -15.498 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.467 -10.026 -16.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -32.002 -12.371 -15.578 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -31.889 -11.331 -14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -33.484 -11.813 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -32.818 -11.445 -17.737 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -34.308 -10.880 -16.944 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -33.296 -9.735 -17.855 1.00 0.00 H new ATOM 744 N ILE A 64 -33.311 -6.613 -17.298 1.00 0.00 N ATOM 745 CA ILE A 64 -33.426 -6.219 -18.699 1.00 0.00 C ATOM 746 C ILE A 64 -32.744 -4.883 -18.935 1.00 0.00 C ATOM 747 O ILE A 64 -31.818 -4.782 -19.741 1.00 0.00 O ATOM 748 CB ILE A 64 -34.920 -6.140 -19.099 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.437 -7.529 -19.542 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.114 -5.136 -20.248 1.00 0.00 C ATOM 751 CD1 ILE A 64 -35.751 -8.392 -18.317 1.00 0.00 C ATOM 0 H ILE A 64 -33.983 -6.167 -16.673 1.00 0.00 H new ATOM 0 HA ILE A 64 -32.931 -6.968 -19.317 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.486 -5.808 -18.229 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.332 -7.414 -20.154 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -34.689 -8.023 -20.162 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.169 -5.092 -20.518 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.779 -4.149 -19.929 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.531 -5.455 -21.112 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -36.114 -9.367 -18.642 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -34.847 -8.521 -17.722 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.516 -7.903 -17.714 1.00 0.00 H new ATOM 763 N GLU A 65 -33.227 -3.863 -18.241 1.00 0.00 N ATOM 764 CA GLU A 65 -32.684 -2.532 -18.401 1.00 0.00 C ATOM 765 C GLU A 65 -31.174 -2.568 -18.284 1.00 0.00 C ATOM 766 O GLU A 65 -30.467 -2.010 -19.121 1.00 0.00 O ATOM 767 CB GLU A 65 -33.249 -1.598 -17.329 1.00 0.00 C ATOM 768 CG GLU A 65 -34.778 -1.576 -17.420 1.00 0.00 C ATOM 769 CD GLU A 65 -35.212 -0.978 -18.754 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.409 -0.291 -19.361 1.00 0.00 O ATOM 771 OE2 GLU A 65 -36.340 -1.221 -19.150 1.00 0.00 O ATOM 0 H GLU A 65 -33.989 -3.935 -17.567 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.964 -2.162 -19.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -32.938 -1.934 -16.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.852 -0.592 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -35.171 -2.588 -17.320 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -35.191 -0.991 -16.598 1.00 0.00 H new ATOM 778 N LEU A 66 -30.685 -3.231 -17.246 1.00 0.00 N ATOM 779 CA LEU A 66 -29.246 -3.325 -17.039 1.00 0.00 C ATOM 780 C LEU A 66 -28.593 -4.192 -18.113 1.00 0.00 C ATOM 781 O LEU A 66 -27.665 -3.767 -18.794 1.00 0.00 O ATOM 782 CB LEU A 66 -28.954 -3.923 -15.659 1.00 0.00 C ATOM 783 CG LEU A 66 -27.438 -3.962 -15.406 1.00 0.00 C ATOM 784 CD1 LEU A 66 -26.868 -2.531 -15.378 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.166 -4.653 -14.067 1.00 0.00 C ATOM 0 H LEU A 66 -31.252 -3.705 -16.544 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.830 -2.319 -17.101 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.444 -3.330 -14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.366 -4.930 -15.597 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.954 -4.517 -16.210 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.794 -2.571 -15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.058 -2.045 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.349 -1.963 -14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.092 -4.682 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.655 -4.099 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -27.557 -5.670 -14.096 1.00 0.00 H new ATOM 797 N SER A 67 -29.072 -5.415 -18.249 1.00 0.00 N ATOM 798 CA SER A 67 -28.501 -6.331 -19.224 1.00 0.00 C ATOM 799 C SER A 67 -28.291 -5.619 -20.547 1.00 0.00 C ATOM 800 O SER A 67 -27.186 -5.595 -21.083 1.00 0.00 O ATOM 801 CB SER A 67 -29.449 -7.518 -19.422 1.00 0.00 C ATOM 802 OG SER A 67 -29.082 -8.236 -20.591 1.00 0.00 O ATOM 0 H SER A 67 -29.846 -5.796 -17.704 1.00 0.00 H new ATOM 0 HA SER A 67 -27.538 -6.689 -18.859 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.410 -8.175 -18.553 1.00 0.00 H new ATOM 0 HB3 SER A 67 -30.476 -7.164 -19.509 1.00 0.00 H new ATOM 0 HG SER A 67 -28.663 -9.084 -20.336 1.00 0.00 H new ATOM 808 N GLN A 68 -29.354 -5.036 -21.065 1.00 0.00 N ATOM 809 CA GLN A 68 -29.256 -4.323 -22.330 1.00 0.00 C ATOM 810 C GLN A 68 -28.280 -3.158 -22.209 1.00 0.00 C ATOM 811 O GLN A 68 -27.436 -2.947 -23.081 1.00 0.00 O ATOM 812 CB GLN A 68 -30.645 -3.793 -22.738 1.00 0.00 C ATOM 813 CG GLN A 68 -31.603 -4.962 -22.968 1.00 0.00 C ATOM 814 CD GLN A 68 -31.176 -5.749 -24.200 1.00 0.00 C ATOM 815 OE1 GLN A 68 -30.864 -5.160 -25.235 1.00 0.00 O ATOM 816 NE2 GLN A 68 -31.146 -7.052 -24.154 1.00 0.00 N ATOM 0 H GLN A 68 -30.282 -5.039 -20.641 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.890 -5.011 -23.092 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.037 -3.139 -21.959 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.563 -3.195 -23.646 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.611 -5.614 -22.094 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -32.619 -4.590 -23.098 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -31.405 -7.538 -23.295 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -30.864 -7.585 -24.977 1.00 0.00 H new ATOM 825 N GLN A 69 -28.387 -2.418 -21.108 1.00 0.00 N ATOM 826 CA GLN A 69 -27.493 -1.291 -20.879 1.00 0.00 C ATOM 827 C GLN A 69 -26.054 -1.764 -21.056 1.00 0.00 C ATOM 828 O GLN A 69 -25.284 -1.174 -21.815 1.00 0.00 O ATOM 829 CB GLN A 69 -27.697 -0.735 -19.468 1.00 0.00 C ATOM 830 CG GLN A 69 -26.854 0.518 -19.282 1.00 0.00 C ATOM 831 CD GLN A 69 -27.147 1.138 -17.919 1.00 0.00 C ATOM 832 OE1 GLN A 69 -28.192 0.870 -17.323 1.00 0.00 O ATOM 833 NE2 GLN A 69 -26.279 1.951 -17.386 1.00 0.00 N ATOM 0 H GLN A 69 -29.074 -2.577 -20.371 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.710 -0.497 -21.594 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.750 -0.503 -19.307 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.419 -1.485 -18.728 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -25.795 0.270 -19.359 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -27.072 1.235 -20.073 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -25.415 2.171 -17.882 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -26.464 2.367 -16.473 1.00 0.00 H new ATOM 842 N ILE A 70 -25.701 -2.842 -20.356 1.00 0.00 N ATOM 843 CA ILE A 70 -24.363 -3.395 -20.459 1.00 0.00 C ATOM 844 C ILE A 70 -24.102 -3.855 -21.886 1.00 0.00 C ATOM 845 O ILE A 70 -23.002 -3.686 -22.415 1.00 0.00 O ATOM 846 CB ILE A 70 -24.197 -4.576 -19.492 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.192 -4.059 -18.051 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.876 -5.303 -19.773 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.194 -5.243 -17.081 1.00 0.00 C ATOM 0 H ILE A 70 -26.321 -3.342 -19.719 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.643 -2.621 -20.193 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.026 -5.270 -19.633 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.313 -3.437 -17.880 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.066 -3.431 -17.876 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.767 -6.139 -19.082 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.877 -5.676 -20.797 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.044 -4.611 -19.639 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.190 -4.873 -16.056 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.086 -5.847 -17.246 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.307 -5.853 -17.250 1.00 0.00 H new ATOM 861 N ASN A 71 -25.115 -4.456 -22.497 1.00 0.00 N ATOM 862 CA ASN A 71 -24.975 -4.958 -23.856 1.00 0.00 C ATOM 863 C ASN A 71 -24.598 -3.831 -24.814 1.00 0.00 C ATOM 864 O ASN A 71 -23.759 -4.009 -25.696 1.00 0.00 O ATOM 865 CB ASN A 71 -26.289 -5.589 -24.313 1.00 0.00 C ATOM 866 CG ASN A 71 -26.061 -6.434 -25.562 1.00 0.00 C ATOM 867 OD1 ASN A 71 -25.206 -7.319 -25.564 1.00 0.00 O ATOM 868 ND2 ASN A 71 -26.779 -6.214 -26.628 1.00 0.00 N ATOM 0 H ASN A 71 -26.033 -4.606 -22.078 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.183 -5.707 -23.864 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.700 -6.209 -23.516 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.022 -4.810 -24.521 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -26.633 -6.776 -27.466 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -27.487 -5.480 -26.623 1.00 0.00 H new ATOM 875 N MET A 72 -25.232 -2.679 -24.639 1.00 0.00 N ATOM 876 CA MET A 72 -24.966 -1.531 -25.499 1.00 0.00 C ATOM 877 C MET A 72 -23.757 -0.745 -25.002 1.00 0.00 C ATOM 878 O MET A 72 -22.725 -0.684 -25.670 1.00 0.00 O ATOM 879 CB MET A 72 -26.188 -0.615 -25.527 1.00 0.00 C ATOM 880 CG MET A 72 -27.394 -1.384 -26.073 1.00 0.00 C ATOM 881 SD MET A 72 -27.104 -1.832 -27.802 1.00 0.00 S ATOM 882 CE MET A 72 -27.844 -0.357 -28.544 1.00 0.00 C ATOM 0 H MET A 72 -25.930 -2.514 -23.914 1.00 0.00 H new ATOM 0 HA MET A 72 -24.754 -1.898 -26.503 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.402 -0.247 -24.524 1.00 0.00 H new ATOM 0 HB3 MET A 72 -25.987 0.257 -26.150 1.00 0.00 H new ATOM 0 HG2 MET A 72 -27.564 -2.282 -25.479 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.293 -0.773 -25.992 1.00 0.00 H new ATOM 0 HE1 MET A 72 -27.774 -0.422 -29.630 1.00 0.00 H new ATOM 0 HE2 MET A 72 -28.892 -0.289 -28.251 1.00 0.00 H new ATOM 0 HE3 MET A 72 -27.313 0.530 -28.199 1.00 0.00 H new ATOM 892 N ASN A 73 -23.900 -0.131 -23.834 1.00 0.00 N ATOM 893 CA ASN A 73 -22.819 0.668 -23.268 1.00 0.00 C ATOM 894 C ASN A 73 -21.489 -0.058 -23.397 1.00 0.00 C ATOM 895 O ASN A 73 -20.548 0.451 -24.008 1.00 0.00 O ATOM 896 CB ASN A 73 -23.097 0.958 -21.791 1.00 0.00 C ATOM 897 CG ASN A 73 -24.283 1.910 -21.661 1.00 0.00 C ATOM 898 OD1 ASN A 73 -24.742 2.471 -22.657 1.00 0.00 O ATOM 899 ND2 ASN A 73 -24.802 2.137 -20.485 1.00 0.00 N ATOM 0 H ASN A 73 -24.745 -0.170 -23.264 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.765 1.606 -23.820 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.307 0.028 -21.262 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -22.215 1.397 -21.326 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.589 2.779 -20.390 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.421 1.672 -19.661 1.00 0.00 H new ATOM 906 N LEU A 74 -21.409 -1.237 -22.810 1.00 0.00 N ATOM 907 CA LEU A 74 -20.175 -2.002 -22.856 1.00 0.00 C ATOM 908 C LEU A 74 -19.804 -2.351 -24.288 1.00 0.00 C ATOM 909 O LEU A 74 -18.799 -1.873 -24.815 1.00 0.00 O ATOM 910 CB LEU A 74 -20.328 -3.290 -22.028 1.00 0.00 C ATOM 911 CG LEU A 74 -18.970 -3.709 -21.445 1.00 0.00 C ATOM 912 CD1 LEU A 74 -17.950 -3.856 -22.587 1.00 0.00 C ATOM 913 CD2 LEU A 74 -18.477 -2.655 -20.422 1.00 0.00 C ATOM 0 H LEU A 74 -22.173 -1.683 -22.301 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.377 -1.391 -22.434 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.044 -3.130 -21.222 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.725 -4.089 -22.654 1.00 0.00 H new ATOM 0 HG LEU A 74 -19.078 -4.664 -20.931 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -16.985 -4.153 -22.177 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -18.296 -4.616 -23.288 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -17.846 -2.903 -23.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.514 -2.964 -20.017 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -18.369 -1.690 -20.917 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -19.201 -2.568 -19.612 1.00 0.00 H new ATOM 925 N GLY A 75 -20.618 -3.188 -24.912 1.00 0.00 N ATOM 926 CA GLY A 75 -20.366 -3.600 -26.287 1.00 0.00 C ATOM 927 C GLY A 75 -20.986 -4.960 -26.576 1.00 0.00 C ATOM 928 O GLY A 75 -21.181 -5.323 -27.733 1.00 0.00 O ATOM 0 H GLY A 75 -21.454 -3.594 -24.493 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.775 -2.858 -26.973 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.292 -3.642 -26.466 1.00 0.00 H new ATOM 932 N GLY A 76 -21.298 -5.711 -25.519 1.00 0.00 N ATOM 933 CA GLY A 76 -21.900 -7.040 -25.672 1.00 0.00 C ATOM 934 C GLY A 76 -21.068 -8.099 -24.961 1.00 0.00 C ATOM 935 O GLY A 76 -21.195 -9.288 -25.240 1.00 0.00 O ATOM 0 H GLY A 76 -21.146 -5.425 -24.552 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.912 -7.034 -25.267 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.982 -7.287 -26.731 1.00 0.00 H new ATOM 939 N HIS A 77 -20.216 -7.662 -24.042 1.00 0.00 N ATOM 940 CA HIS A 77 -19.363 -8.584 -23.295 1.00 0.00 C ATOM 941 C HIS A 77 -19.000 -7.993 -21.944 1.00 0.00 C ATOM 942 O HIS A 77 -18.970 -6.780 -21.783 1.00 0.00 O ATOM 943 CB HIS A 77 -18.091 -8.878 -24.084 1.00 0.00 C ATOM 944 CG HIS A 77 -18.443 -9.642 -25.330 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.760 -9.008 -26.521 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.536 -10.987 -25.584 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.025 -9.964 -27.430 1.00 0.00 C ATOM 948 NE2 HIS A 77 -18.904 -11.189 -26.911 1.00 0.00 N ATOM 0 H HIS A 77 -20.096 -6.680 -23.795 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.912 -9.513 -23.139 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.588 -7.947 -24.345 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.396 -9.455 -23.474 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.352 -11.770 -24.864 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.302 -9.765 -28.455 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.050 -12.080 -27.385 1.00 0.00 H new ATOM 956 N VAL A 78 -18.714 -8.859 -20.974 1.00 0.00 N ATOM 957 CA VAL A 78 -18.345 -8.406 -19.634 1.00 0.00 C ATOM 958 C VAL A 78 -17.185 -9.239 -19.094 1.00 0.00 C ATOM 959 O VAL A 78 -17.271 -10.463 -19.014 1.00 0.00 O ATOM 960 CB VAL A 78 -19.552 -8.524 -18.699 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.241 -7.860 -17.361 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.762 -7.850 -19.338 1.00 0.00 C ATOM 0 H VAL A 78 -18.730 -9.872 -21.089 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.031 -7.364 -19.687 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.772 -9.578 -18.530 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.104 -7.948 -16.702 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.382 -8.350 -16.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.014 -6.806 -17.522 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.620 -7.935 -18.671 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.542 -6.797 -19.513 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.990 -8.336 -20.287 1.00 0.00 H new ATOM 972 N ASP A 79 -16.108 -8.561 -18.705 1.00 0.00 N ATOM 973 CA ASP A 79 -14.931 -9.233 -18.148 1.00 0.00 C ATOM 974 C ASP A 79 -14.994 -9.236 -16.636 1.00 0.00 C ATOM 975 O ASP A 79 -15.698 -8.424 -16.037 1.00 0.00 O ATOM 976 CB ASP A 79 -13.660 -8.526 -18.616 1.00 0.00 C ATOM 977 CG ASP A 79 -13.454 -8.762 -20.110 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.139 -9.609 -20.660 1.00 0.00 O ATOM 979 OD2 ASP A 79 -12.611 -8.091 -20.683 1.00 0.00 O ATOM 0 H ASP A 79 -16.023 -7.546 -18.764 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.916 -10.265 -18.499 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.733 -7.457 -18.414 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.800 -8.898 -18.058 1.00 0.00 H new ATOM 984 N PHE A 80 -14.260 -10.162 -16.023 1.00 0.00 N ATOM 985 CA PHE A 80 -14.241 -10.270 -14.568 1.00 0.00 C ATOM 986 C PHE A 80 -14.234 -8.884 -13.938 1.00 0.00 C ATOM 987 O PHE A 80 -14.717 -8.696 -12.822 1.00 0.00 O ATOM 988 CB PHE A 80 -12.997 -11.045 -14.119 1.00 0.00 C ATOM 989 CG PHE A 80 -12.931 -11.059 -12.610 1.00 0.00 C ATOM 990 CD1 PHE A 80 -13.779 -11.902 -11.881 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.025 -10.228 -11.938 1.00 0.00 C ATOM 992 CE1 PHE A 80 -13.722 -11.914 -10.483 1.00 0.00 C ATOM 993 CE2 PHE A 80 -11.969 -10.240 -10.539 1.00 0.00 C ATOM 994 CZ PHE A 80 -12.817 -11.084 -9.812 1.00 0.00 C ATOM 0 H PHE A 80 -13.675 -10.843 -16.507 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.135 -10.803 -14.245 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.033 -12.065 -14.502 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.099 -10.582 -14.529 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.477 -12.543 -12.398 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.370 -9.578 -12.499 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.377 -12.564 -9.922 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.272 -9.598 -10.021 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.773 -11.095 -8.733 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.685 -7.914 -14.666 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.620 -6.546 -14.164 1.00 0.00 C ATOM 1006 C ASP A 81 -14.950 -5.844 -14.388 1.00 0.00 C ATOM 1007 O ASP A 81 -15.522 -5.275 -13.465 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.501 -5.776 -14.875 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.140 -6.281 -14.405 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -11.103 -6.998 -13.419 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.153 -5.939 -15.037 1.00 0.00 O ATOM 0 H ASP A 81 -13.284 -8.048 -15.594 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.408 -6.575 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.591 -5.900 -15.954 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.594 -4.710 -14.668 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.436 -5.896 -15.621 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.700 -5.265 -15.957 1.00 0.00 C ATOM 1018 C ASP A 82 -17.838 -5.950 -15.212 1.00 0.00 C ATOM 1019 O ASP A 82 -18.948 -5.434 -15.146 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.945 -5.344 -17.467 1.00 0.00 C ATOM 1021 CG ASP A 82 -15.890 -4.535 -18.213 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -15.270 -3.691 -17.589 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -15.720 -4.771 -19.398 1.00 0.00 O ATOM 0 H ASP A 82 -14.975 -6.367 -16.400 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.659 -4.217 -15.660 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.916 -6.383 -17.794 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.939 -4.964 -17.702 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.545 -7.111 -14.641 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.541 -7.854 -13.876 1.00 0.00 C ATOM 1030 C PHE A 83 -18.478 -7.439 -12.408 1.00 0.00 C ATOM 1031 O PHE A 83 -19.504 -7.202 -11.773 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.291 -9.359 -14.009 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.200 -10.106 -13.057 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.583 -10.118 -13.277 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.662 -10.782 -11.956 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.426 -10.809 -12.397 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.503 -11.470 -11.077 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.883 -11.485 -11.297 1.00 0.00 C ATOM 0 H PHE A 83 -16.630 -7.558 -14.692 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.533 -7.628 -14.268 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.477 -9.680 -15.034 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.248 -9.587 -13.787 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.000 -9.595 -14.125 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.596 -10.772 -11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.493 -10.820 -12.566 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -19.086 -11.990 -10.227 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.532 -12.019 -10.618 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.261 -7.357 -11.880 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.065 -6.961 -10.493 1.00 0.00 C ATOM 1050 C VAL A 84 -17.360 -5.473 -10.306 1.00 0.00 C ATOM 1051 O VAL A 84 -18.020 -5.074 -9.346 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.629 -7.268 -10.059 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.360 -6.641 -8.682 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.446 -8.783 -9.959 1.00 0.00 C ATOM 0 H VAL A 84 -16.401 -7.559 -12.390 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.757 -7.530 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.935 -6.855 -10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.337 -6.861 -8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.497 -5.561 -8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.055 -7.055 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.425 -9.007 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.144 -9.186 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.639 -9.238 -10.931 1.00 0.00 H new ATOM 1064 N GLU A 85 -16.850 -4.660 -11.224 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.045 -3.219 -11.151 1.00 0.00 C ATOM 1066 C GLU A 85 -18.527 -2.884 -11.186 1.00 0.00 C ATOM 1067 O GLU A 85 -19.015 -2.100 -10.374 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.324 -2.537 -12.325 1.00 0.00 C ATOM 1069 CG GLU A 85 -14.834 -2.392 -12.004 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.231 -3.758 -11.696 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -14.532 -4.291 -10.641 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -13.474 -4.249 -12.517 1.00 0.00 O ATOM 0 H GLU A 85 -16.301 -4.974 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.628 -2.854 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.454 -3.124 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.762 -1.557 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.314 -1.938 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.700 -1.726 -11.152 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.237 -3.486 -12.125 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.671 -3.244 -12.248 1.00 0.00 C ATOM 1081 C LEU A 86 -21.395 -3.683 -10.992 1.00 0.00 C ATOM 1082 O LEU A 86 -22.301 -3.001 -10.514 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.222 -3.999 -13.473 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.133 -3.101 -14.721 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.159 -1.944 -14.609 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -19.701 -2.526 -14.859 1.00 0.00 C ATOM 0 H LEU A 86 -18.853 -4.139 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.837 -2.175 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.655 -4.916 -13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.257 -4.291 -13.297 1.00 0.00 H new ATOM 0 HG LEU A 86 -21.361 -3.696 -15.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -22.092 -1.311 -15.494 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.165 -2.356 -14.533 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -21.942 -1.350 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.647 -1.892 -15.744 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -19.459 -1.936 -13.975 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.988 -3.345 -14.955 1.00 0.00 H new ATOM 1098 N MET A 87 -20.993 -4.818 -10.466 1.00 0.00 N ATOM 1099 CA MET A 87 -21.608 -5.342 -9.261 1.00 0.00 C ATOM 1100 C MET A 87 -21.426 -4.363 -8.111 1.00 0.00 C ATOM 1101 O MET A 87 -22.342 -4.147 -7.316 1.00 0.00 O ATOM 1102 CB MET A 87 -20.974 -6.686 -8.888 1.00 0.00 C ATOM 1103 CG MET A 87 -21.663 -7.249 -7.642 1.00 0.00 C ATOM 1104 SD MET A 87 -20.975 -8.878 -7.252 1.00 0.00 S ATOM 1105 CE MET A 87 -20.932 -8.693 -5.451 1.00 0.00 C ATOM 0 H MET A 87 -20.246 -5.396 -10.850 1.00 0.00 H new ATOM 0 HA MET A 87 -22.672 -5.484 -9.449 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.069 -7.387 -9.717 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.908 -6.557 -8.700 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.522 -6.572 -6.799 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.737 -7.328 -7.812 1.00 0.00 H new ATOM 0 HE1 MET A 87 -20.533 -9.602 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 87 -20.296 -7.848 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 87 -21.941 -8.517 -5.079 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.230 -3.777 -8.026 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.923 -2.822 -6.966 1.00 0.00 C ATOM 1117 C GLY A 88 -20.060 -1.380 -7.482 1.00 0.00 C ATOM 1118 O GLY A 88 -19.244 -0.931 -8.286 1.00 0.00 O ATOM 0 H GLY A 88 -19.463 -3.948 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -20.596 -2.978 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.910 -2.989 -6.601 1.00 0.00 H new