USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=13 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 Single : A 36 LYS NZ :NH3+ -164:sc=-0.00907 (180deg=-0.291) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= -0.177 (180deg=-0.461) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.85! C(o=-5.9!,f=-2.6!) USER MOD Single : A 44 CYS SG : rot 62:sc= -0.525 USER MOD Single : A 49 ASN : amide:sc= -0.0515 K(o=-0.051,f=-1.6!) USER MOD Single : A 50 CYS SG : rot -86:sc= -5.06! USER MOD Single : A 51 MET CE :methyl -139:sc= -0.286 (180deg=-2.74!) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.467 USER MOD Single : A 54 MET CE :methyl -139:sc=-0.00105 (180deg=-1.99) 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= -0.037 USER MOD Single : A 61 MET CE :methyl 159:sc= -0.0393 (180deg=-0.559) USER MOD Single : A 67 SER OG : rot 94:sc= 1.01 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 77 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.28) USER MOD Single : A 87 MET CE :methyl -107:sc= -0.572 (180deg=-3.17!) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -11.295 -7.006 -0.112 1.00 0.00 N ATOM 31 CA ARG A 20 -10.234 -7.861 0.379 1.00 0.00 C ATOM 32 C ARG A 20 -10.199 -9.187 -0.395 1.00 0.00 C ATOM 33 O ARG A 20 -11.235 -9.663 -0.862 1.00 0.00 O ATOM 34 CB ARG A 20 -10.425 -8.146 1.871 1.00 0.00 C ATOM 35 CG ARG A 20 -11.841 -8.655 2.115 1.00 0.00 C ATOM 36 CD ARG A 20 -12.104 -8.727 3.618 1.00 0.00 C ATOM 37 NE ARG A 20 -11.901 -7.417 4.226 1.00 0.00 N ATOM 38 CZ ARG A 20 -12.798 -6.446 4.085 1.00 0.00 C ATOM 39 NH1 ARG A 20 -13.885 -6.657 3.395 1.00 0.00 N ATOM 40 NH2 ARG A 20 -12.592 -5.282 4.639 1.00 0.00 N ATOM 0 HA ARG A 20 -9.288 -7.340 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.698 -8.886 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.248 -7.240 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.564 -7.992 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.968 -9.640 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.123 -9.067 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.437 -9.457 4.077 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.055 -7.243 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.047 -7.567 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.573 -5.912 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.743 -5.118 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.280 -4.537 4.531 1.00 0.00 H new ATOM 54 N PRO A 21 -9.044 -9.787 -0.526 1.00 0.00 N ATOM 55 CA PRO A 21 -8.889 -11.084 -1.241 1.00 0.00 C ATOM 56 C PRO A 21 -9.998 -12.079 -0.891 1.00 0.00 C ATOM 57 O PRO A 21 -10.354 -12.934 -1.700 1.00 0.00 O ATOM 58 CB PRO A 21 -7.524 -11.596 -0.760 1.00 0.00 C ATOM 59 CG PRO A 21 -6.741 -10.367 -0.404 1.00 0.00 C ATOM 60 CD PRO A 21 -7.751 -9.292 -0.019 1.00 0.00 C ATOM 0 HA PRO A 21 -8.953 -10.965 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.633 -12.256 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.022 -12.169 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.059 -10.570 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.132 -10.040 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.780 -9.146 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.494 -8.331 -0.464 1.00 0.00 H new ATOM 68 N GLU A 22 -10.523 -11.967 0.320 1.00 0.00 N ATOM 69 CA GLU A 22 -11.582 -12.863 0.767 1.00 0.00 C ATOM 70 C GLU A 22 -12.920 -12.474 0.148 1.00 0.00 C ATOM 71 O GLU A 22 -13.796 -13.317 -0.041 1.00 0.00 O ATOM 72 CB GLU A 22 -11.695 -12.822 2.291 1.00 0.00 C ATOM 73 CG GLU A 22 -10.452 -13.460 2.913 1.00 0.00 C ATOM 74 CD GLU A 22 -10.493 -13.310 4.429 1.00 0.00 C ATOM 75 OE1 GLU A 22 -11.456 -12.747 4.924 1.00 0.00 O ATOM 76 OE2 GLU A 22 -9.559 -13.757 5.075 1.00 0.00 O ATOM 0 H GLU A 22 -10.236 -11.270 1.007 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.329 -13.874 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.796 -11.791 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.590 -13.354 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.402 -14.515 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.553 -12.987 2.517 1.00 0.00 H new ATOM 83 N GLU A 23 -13.071 -11.192 -0.166 1.00 0.00 N ATOM 84 CA GLU A 23 -14.307 -10.699 -0.762 1.00 0.00 C ATOM 85 C GLU A 23 -14.318 -10.930 -2.268 1.00 0.00 C ATOM 86 O GLU A 23 -15.326 -11.358 -2.831 1.00 0.00 O ATOM 87 CB GLU A 23 -14.464 -9.201 -0.468 1.00 0.00 C ATOM 88 CG GLU A 23 -14.912 -9.000 0.981 1.00 0.00 C ATOM 89 CD GLU A 23 -16.355 -9.462 1.147 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.202 -8.963 0.423 1.00 0.00 O ATOM 91 OE2 GLU A 23 -16.593 -10.311 1.990 1.00 0.00 O ATOM 0 H GLU A 23 -12.357 -10.479 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.140 -11.248 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.519 -8.686 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.194 -8.762 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.262 -9.561 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.824 -7.949 1.256 1.00 0.00 H new ATOM 98 N ILE A 24 -13.196 -10.635 -2.916 1.00 0.00 N ATOM 99 CA ILE A 24 -13.098 -10.807 -4.356 1.00 0.00 C ATOM 100 C ILE A 24 -13.160 -12.282 -4.731 1.00 0.00 C ATOM 101 O ILE A 24 -13.557 -12.637 -5.841 1.00 0.00 O ATOM 102 CB ILE A 24 -11.789 -10.197 -4.865 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.799 -10.157 -6.394 1.00 0.00 C ATOM 104 CG2 ILE A 24 -10.610 -11.050 -4.386 1.00 0.00 C ATOM 105 CD1 ILE A 24 -10.675 -9.249 -6.893 1.00 0.00 C ATOM 0 H ILE A 24 -12.351 -10.279 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.941 -10.297 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.689 -9.183 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.672 -11.163 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.761 -9.791 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.677 -10.617 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.599 -11.077 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.713 -12.064 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.685 -9.223 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.822 -8.241 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.716 -9.635 -6.548 1.00 0.00 H new ATOM 117 N GLU A 25 -12.749 -13.137 -3.801 1.00 0.00 N ATOM 118 CA GLU A 25 -12.751 -14.574 -4.048 1.00 0.00 C ATOM 119 C GLU A 25 -14.176 -15.080 -4.243 1.00 0.00 C ATOM 120 O GLU A 25 -14.435 -15.913 -5.110 1.00 0.00 O ATOM 121 CB GLU A 25 -12.102 -15.307 -2.872 1.00 0.00 C ATOM 122 CG GLU A 25 -12.018 -16.803 -3.185 1.00 0.00 C ATOM 123 CD GLU A 25 -11.290 -17.530 -2.060 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.644 -16.864 -1.269 1.00 0.00 O ATOM 125 OE2 GLU A 25 -11.391 -18.745 -2.004 1.00 0.00 O ATOM 0 H GLU A 25 -12.413 -12.864 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.180 -14.770 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.105 -14.907 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.684 -15.147 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.020 -17.214 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.494 -16.957 -4.128 1.00 0.00 H new ATOM 132 N GLU A 26 -15.096 -14.573 -3.428 1.00 0.00 N ATOM 133 CA GLU A 26 -16.492 -14.988 -3.519 1.00 0.00 C ATOM 134 C GLU A 26 -17.072 -14.619 -4.880 1.00 0.00 C ATOM 135 O GLU A 26 -17.740 -15.428 -5.523 1.00 0.00 O ATOM 136 CB GLU A 26 -17.308 -14.314 -2.414 1.00 0.00 C ATOM 137 CG GLU A 26 -16.861 -14.848 -1.052 1.00 0.00 C ATOM 138 CD GLU A 26 -17.634 -14.148 0.060 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.505 -13.355 -0.258 1.00 0.00 O ATOM 140 OE2 GLU A 26 -17.342 -14.414 1.216 1.00 0.00 O ATOM 0 H GLU A 26 -14.903 -13.881 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.540 -16.070 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.173 -13.233 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.370 -14.508 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.028 -15.924 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.791 -14.685 -0.921 1.00 0.00 H new ATOM 147 N LEU A 27 -16.806 -13.397 -5.318 1.00 0.00 N ATOM 148 CA LEU A 27 -17.298 -12.934 -6.610 1.00 0.00 C ATOM 149 C LEU A 27 -16.674 -13.734 -7.743 1.00 0.00 C ATOM 150 O LEU A 27 -17.316 -13.989 -8.763 1.00 0.00 O ATOM 151 CB LEU A 27 -16.977 -11.444 -6.788 1.00 0.00 C ATOM 152 CG LEU A 27 -18.026 -10.592 -6.043 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.416 -9.243 -5.661 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.243 -10.358 -6.952 1.00 0.00 C ATOM 0 H LEU A 27 -16.255 -12.711 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.378 -13.078 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.980 -11.229 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.972 -11.187 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.340 -11.119 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.159 -8.644 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.555 -9.404 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.099 -8.719 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.982 -9.756 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -18.928 -9.835 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.684 -11.317 -7.224 1.00 0.00 H new ATOM 166 N ARG A 28 -15.421 -14.114 -7.563 1.00 0.00 N ATOM 167 CA ARG A 28 -14.714 -14.878 -8.579 1.00 0.00 C ATOM 168 C ARG A 28 -15.392 -16.224 -8.805 1.00 0.00 C ATOM 169 O ARG A 28 -15.507 -16.692 -9.939 1.00 0.00 O ATOM 170 CB ARG A 28 -13.252 -15.091 -8.156 1.00 0.00 C ATOM 171 CG ARG A 28 -12.374 -15.267 -9.397 1.00 0.00 C ATOM 172 CD ARG A 28 -10.920 -15.447 -8.973 1.00 0.00 C ATOM 173 NE ARG A 28 -10.047 -15.374 -10.137 1.00 0.00 N ATOM 174 CZ ARG A 28 -10.045 -16.329 -11.058 1.00 0.00 C ATOM 175 NH1 ARG A 28 -10.838 -17.355 -10.934 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.252 -16.239 -12.092 1.00 0.00 N ATOM 0 H ARG A 28 -14.873 -13.908 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.737 -14.316 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.905 -14.239 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.173 -15.970 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.706 -16.133 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.469 -14.398 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.645 -14.676 -8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.795 -16.408 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.425 -14.573 -10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.460 -17.424 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.837 -18.089 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.634 -15.434 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.251 -16.974 -12.800 1.00 0.00 H new ATOM 190 N GLU A 29 -15.828 -16.849 -7.716 1.00 0.00 N ATOM 191 CA GLU A 29 -16.480 -18.148 -7.806 1.00 0.00 C ATOM 192 C GLU A 29 -17.733 -18.048 -8.672 1.00 0.00 C ATOM 193 O GLU A 29 -17.994 -18.921 -9.502 1.00 0.00 O ATOM 194 CB GLU A 29 -16.865 -18.638 -6.405 1.00 0.00 C ATOM 195 CG GLU A 29 -17.372 -20.080 -6.486 1.00 0.00 C ATOM 196 CD GLU A 29 -16.209 -21.022 -6.784 1.00 0.00 C ATOM 197 OE1 GLU A 29 -15.076 -20.577 -6.706 1.00 0.00 O ATOM 198 OE2 GLU A 29 -16.471 -22.170 -7.102 1.00 0.00 O ATOM 0 H GLU A 29 -15.742 -16.480 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.787 -18.857 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.003 -18.582 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.636 -17.994 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.848 -20.361 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.130 -20.165 -7.265 1.00 0.00 H new ATOM 205 N ALA A 30 -18.502 -16.985 -8.474 1.00 0.00 N ATOM 206 CA ALA A 30 -19.723 -16.784 -9.245 1.00 0.00 C ATOM 207 C ALA A 30 -19.396 -16.584 -10.721 1.00 0.00 C ATOM 208 O ALA A 30 -20.120 -17.053 -11.597 1.00 0.00 O ATOM 209 CB ALA A 30 -20.484 -15.569 -8.714 1.00 0.00 C ATOM 0 H ALA A 30 -18.304 -16.253 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.347 -17.672 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.394 -15.427 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.744 -15.731 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.857 -14.681 -8.799 1.00 0.00 H new ATOM 215 N PHE A 31 -18.304 -15.878 -10.987 1.00 0.00 N ATOM 216 CA PHE A 31 -17.896 -15.613 -12.361 1.00 0.00 C ATOM 217 C PHE A 31 -17.680 -16.922 -13.112 1.00 0.00 C ATOM 218 O PHE A 31 -18.150 -17.088 -14.237 1.00 0.00 O ATOM 219 CB PHE A 31 -16.599 -14.801 -12.372 1.00 0.00 C ATOM 220 CG PHE A 31 -16.338 -14.284 -13.767 1.00 0.00 C ATOM 221 CD1 PHE A 31 -16.863 -13.046 -14.160 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.576 -15.036 -14.666 1.00 0.00 C ATOM 223 CE1 PHE A 31 -16.621 -12.561 -15.453 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.336 -14.551 -15.960 1.00 0.00 C ATOM 225 CZ PHE A 31 -15.860 -13.312 -16.351 1.00 0.00 C ATOM 0 H PHE A 31 -17.689 -15.481 -10.276 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.685 -15.046 -12.854 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.673 -13.968 -11.672 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.766 -15.422 -12.041 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.454 -12.465 -13.467 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.172 -15.991 -14.364 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.024 -11.605 -15.755 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.748 -15.132 -16.654 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.675 -12.938 -17.347 1.00 0.00 H new ATOM 235 N ARG A 32 -16.975 -17.851 -12.478 1.00 0.00 N ATOM 236 CA ARG A 32 -16.714 -19.145 -13.092 1.00 0.00 C ATOM 237 C ARG A 32 -17.995 -19.956 -13.234 1.00 0.00 C ATOM 238 O ARG A 32 -18.219 -20.609 -14.256 1.00 0.00 O ATOM 239 CB ARG A 32 -15.703 -19.933 -12.253 1.00 0.00 C ATOM 240 CG ARG A 32 -14.317 -19.299 -12.385 1.00 0.00 C ATOM 241 CD ARG A 32 -13.315 -20.080 -11.532 1.00 0.00 C ATOM 242 NE ARG A 32 -11.966 -19.567 -11.744 1.00 0.00 N ATOM 243 CZ ARG A 32 -10.933 -20.045 -11.056 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.117 -20.985 -10.171 1.00 0.00 N ATOM 245 NH2 ARG A 32 -9.735 -19.573 -11.268 1.00 0.00 N ATOM 0 H ARG A 32 -16.577 -17.733 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.305 -18.966 -14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.012 -19.941 -11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.672 -20.971 -12.584 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.002 -19.302 -13.429 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.350 -18.258 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.582 -19.998 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.354 -21.138 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.812 -18.829 -12.431 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.054 -21.354 -10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.324 -21.351 -9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.592 -18.838 -11.961 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.942 -19.939 -10.741 1.00 0.00 H new ATOM 259 N GLU A 33 -18.829 -19.911 -12.205 1.00 0.00 N ATOM 260 CA GLU A 33 -20.085 -20.649 -12.221 1.00 0.00 C ATOM 261 C GLU A 33 -20.988 -20.151 -13.338 1.00 0.00 C ATOM 262 O GLU A 33 -21.887 -20.863 -13.784 1.00 0.00 O ATOM 263 CB GLU A 33 -20.802 -20.489 -10.877 1.00 0.00 C ATOM 264 CG GLU A 33 -22.085 -21.324 -10.874 1.00 0.00 C ATOM 265 CD GLU A 33 -22.763 -21.235 -9.513 1.00 0.00 C ATOM 266 OE1 GLU A 33 -22.119 -20.793 -8.579 1.00 0.00 O ATOM 267 OE2 GLU A 33 -23.922 -21.609 -9.427 1.00 0.00 O ATOM 0 H GLU A 33 -18.661 -19.375 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.861 -21.702 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.148 -20.807 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.039 -19.439 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.762 -20.968 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.853 -22.363 -11.106 1.00 0.00 H new ATOM 274 N PHE A 34 -20.748 -18.922 -13.788 1.00 0.00 N ATOM 275 CA PHE A 34 -21.545 -18.325 -14.857 1.00 0.00 C ATOM 276 C PHE A 34 -20.682 -18.013 -16.069 1.00 0.00 C ATOM 277 O PHE A 34 -21.092 -17.253 -16.948 1.00 0.00 O ATOM 278 CB PHE A 34 -22.217 -17.050 -14.347 1.00 0.00 C ATOM 279 CG PHE A 34 -23.347 -17.417 -13.408 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.475 -18.084 -13.902 1.00 0.00 C ATOM 281 CD2 PHE A 34 -23.274 -17.082 -12.050 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.526 -18.413 -13.040 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.324 -17.412 -11.189 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.451 -18.078 -11.682 1.00 0.00 C ATOM 0 H PHE A 34 -20.007 -18.319 -13.429 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.309 -19.040 -15.161 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.489 -16.424 -13.831 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.601 -16.468 -15.185 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.533 -18.344 -14.949 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.405 -16.568 -11.668 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.396 -18.926 -13.422 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -24.265 -17.153 -10.142 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.262 -18.334 -11.016 1.00 0.00 H new ATOM 294 N ASP A 35 -19.482 -18.594 -16.111 1.00 0.00 N ATOM 295 CA ASP A 35 -18.582 -18.353 -17.230 1.00 0.00 C ATOM 296 C ASP A 35 -19.289 -18.613 -18.559 1.00 0.00 C ATOM 297 O ASP A 35 -19.208 -17.805 -19.482 1.00 0.00 O ATOM 298 CB ASP A 35 -17.371 -19.276 -17.122 1.00 0.00 C ATOM 299 CG ASP A 35 -17.804 -20.728 -17.277 1.00 0.00 C ATOM 300 OD1 ASP A 35 -18.684 -21.152 -16.543 1.00 0.00 O ATOM 301 OD2 ASP A 35 -17.247 -21.395 -18.128 1.00 0.00 O ATOM 0 H ASP A 35 -19.119 -19.223 -15.395 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.263 -17.311 -17.196 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.641 -19.022 -17.890 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.882 -19.135 -16.158 1.00 0.00 H new ATOM 306 N LYS A 36 -19.972 -19.743 -18.649 1.00 0.00 N ATOM 307 CA LYS A 36 -20.684 -20.101 -19.870 1.00 0.00 C ATOM 308 C LYS A 36 -19.706 -20.263 -21.024 1.00 0.00 C ATOM 309 O LYS A 36 -20.006 -19.879 -22.151 1.00 0.00 O ATOM 310 CB LYS A 36 -21.703 -19.007 -20.222 1.00 0.00 C ATOM 311 CG LYS A 36 -22.780 -19.581 -21.150 1.00 0.00 C ATOM 312 CD LYS A 36 -23.871 -18.539 -21.371 1.00 0.00 C ATOM 313 CE LYS A 36 -24.989 -19.147 -22.220 1.00 0.00 C ATOM 314 NZ LYS A 36 -24.475 -19.429 -23.589 1.00 0.00 N ATOM 0 H LYS A 36 -20.050 -20.427 -17.896 1.00 0.00 H new ATOM 0 HA LYS A 36 -21.203 -21.045 -19.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -22.162 -18.619 -19.313 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.200 -18.171 -20.707 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -22.338 -19.867 -22.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -23.208 -20.483 -20.713 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -24.268 -18.203 -20.413 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -23.457 -17.662 -21.869 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -25.351 -20.066 -21.759 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -25.835 -18.462 -22.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -25.275 -19.581 -24.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.910 -18.621 -23.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.880 -20.282 -23.568 1.00 0.00 H new ATOM 328 N ASP A 37 -18.541 -20.835 -20.732 1.00 0.00 N ATOM 329 CA ASP A 37 -17.515 -21.043 -21.754 1.00 0.00 C ATOM 330 C ASP A 37 -16.161 -21.343 -21.107 1.00 0.00 C ATOM 331 O ASP A 37 -15.368 -22.115 -21.642 1.00 0.00 O ATOM 332 CB ASP A 37 -17.388 -19.788 -22.641 1.00 0.00 C ATOM 333 CG ASP A 37 -17.598 -18.535 -21.791 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.288 -18.584 -20.611 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.080 -17.553 -22.328 1.00 0.00 O ATOM 0 H ASP A 37 -18.283 -21.162 -19.801 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.813 -21.894 -22.366 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.405 -19.760 -23.111 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.124 -19.822 -23.444 1.00 0.00 H new ATOM 340 N LYS A 38 -15.905 -20.725 -19.966 1.00 0.00 N ATOM 341 CA LYS A 38 -14.654 -20.918 -19.266 1.00 0.00 C ATOM 342 C LYS A 38 -13.483 -20.422 -20.097 1.00 0.00 C ATOM 343 O LYS A 38 -12.386 -20.968 -20.020 1.00 0.00 O ATOM 344 CB LYS A 38 -14.470 -22.412 -18.939 1.00 0.00 C ATOM 345 CG LYS A 38 -13.864 -22.566 -17.542 1.00 0.00 C ATOM 346 CD LYS A 38 -14.950 -22.378 -16.478 1.00 0.00 C ATOM 347 CE LYS A 38 -14.395 -22.766 -15.110 1.00 0.00 C ATOM 348 NZ LYS A 38 -13.374 -21.768 -14.686 1.00 0.00 N ATOM 0 H LYS A 38 -16.552 -20.084 -19.507 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.683 -20.342 -18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.430 -22.925 -18.987 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.821 -22.879 -19.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.410 -23.552 -17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.071 -21.833 -17.398 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.286 -21.341 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.819 -22.992 -16.717 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.201 -22.810 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.950 -23.760 -15.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.132 -21.922 -13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.520 -21.876 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.756 -20.808 -14.806 1.00 0.00 H new ATOM 362 N ASP A 39 -13.721 -19.383 -20.878 1.00 0.00 N ATOM 363 CA ASP A 39 -12.681 -18.806 -21.721 1.00 0.00 C ATOM 364 C ASP A 39 -12.153 -17.517 -21.106 1.00 0.00 C ATOM 365 O ASP A 39 -11.309 -16.842 -21.694 1.00 0.00 O ATOM 366 CB ASP A 39 -13.233 -18.530 -23.117 1.00 0.00 C ATOM 367 CG ASP A 39 -14.532 -17.740 -23.013 1.00 0.00 C ATOM 368 OD1 ASP A 39 -15.113 -17.727 -21.934 1.00 0.00 O ATOM 369 OD2 ASP A 39 -14.929 -17.160 -24.012 1.00 0.00 O ATOM 0 H ASP A 39 -14.626 -18.919 -20.948 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.860 -19.518 -21.797 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.503 -17.971 -23.702 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.409 -19.470 -23.640 1.00 0.00 H new ATOM 374 N GLY A 40 -12.661 -17.177 -19.925 1.00 0.00 N ATOM 375 CA GLY A 40 -12.237 -15.962 -19.240 1.00 0.00 C ATOM 376 C GLY A 40 -12.993 -14.758 -19.780 1.00 0.00 C ATOM 377 O GLY A 40 -12.412 -13.693 -19.985 1.00 0.00 O ATOM 0 H GLY A 40 -13.363 -17.723 -19.425 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.414 -16.060 -18.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.165 -15.816 -19.374 1.00 0.00 H new ATOM 381 N TYR A 41 -14.292 -14.939 -20.008 1.00 0.00 N ATOM 382 CA TYR A 41 -15.125 -13.851 -20.530 1.00 0.00 C ATOM 383 C TYR A 41 -16.602 -14.201 -20.438 1.00 0.00 C ATOM 384 O TYR A 41 -16.976 -15.371 -20.494 1.00 0.00 O ATOM 385 CB TYR A 41 -14.760 -13.579 -22.002 1.00 0.00 C ATOM 386 CG TYR A 41 -13.544 -12.684 -22.075 1.00 0.00 C ATOM 387 CD1 TYR A 41 -13.639 -11.351 -21.654 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.328 -13.182 -22.556 1.00 0.00 C ATOM 389 CE1 TYR A 41 -12.518 -10.518 -21.713 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.207 -12.349 -22.617 1.00 0.00 C ATOM 391 CZ TYR A 41 -11.302 -11.017 -22.197 1.00 0.00 C ATOM 392 OH TYR A 41 -10.194 -10.195 -22.255 1.00 0.00 O ATOM 0 H TYR A 41 -14.788 -15.815 -19.843 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.939 -12.962 -19.928 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.561 -14.519 -22.516 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.600 -13.108 -22.513 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.578 -10.967 -21.284 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.256 -14.210 -22.880 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.589 -9.491 -21.386 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.268 -12.733 -22.988 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.433 -10.697 -22.614 1.00 0.00 H new ATOM 402 N ILE A 42 -17.439 -13.176 -20.303 1.00 0.00 N ATOM 403 CA ILE A 42 -18.883 -13.383 -20.216 1.00 0.00 C ATOM 404 C ILE A 42 -19.624 -12.199 -20.819 1.00 0.00 C ATOM 405 O ILE A 42 -19.008 -11.232 -21.264 1.00 0.00 O ATOM 406 CB ILE A 42 -19.300 -13.569 -18.759 1.00 0.00 C ATOM 407 CG1 ILE A 42 -18.918 -12.329 -17.949 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.588 -14.793 -18.177 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.514 -12.435 -16.545 1.00 0.00 C ATOM 0 H ILE A 42 -17.146 -12.200 -20.252 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.140 -14.282 -20.777 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.379 -13.714 -18.710 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.833 -12.240 -17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.285 -11.430 -18.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.885 -14.926 -17.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.862 -15.679 -18.749 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.509 -14.646 -18.230 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.242 -11.552 -15.967 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.600 -12.503 -16.615 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.125 -13.326 -16.051 1.00 0.00 H new ATOM 421 N ASN A 43 -20.952 -12.274 -20.825 1.00 0.00 N ATOM 422 CA ASN A 43 -21.772 -11.196 -21.373 1.00 0.00 C ATOM 423 C ASN A 43 -23.056 -11.038 -20.567 1.00 0.00 C ATOM 424 O ASN A 43 -23.254 -11.710 -19.555 1.00 0.00 O ATOM 425 CB ASN A 43 -22.109 -11.483 -22.833 1.00 0.00 C ATOM 426 CG ASN A 43 -22.722 -12.875 -22.962 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.732 -13.047 -23.643 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.170 -13.885 -22.344 1.00 0.00 N ATOM 0 H ASN A 43 -21.482 -13.065 -20.459 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.205 -10.267 -21.313 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.806 -10.733 -23.208 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.208 -11.415 -23.443 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.576 -14.817 -22.426 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.333 -13.742 -21.780 1.00 0.00 H new ATOM 435 N CYS A 44 -23.919 -10.132 -21.014 1.00 0.00 N ATOM 436 CA CYS A 44 -25.177 -9.879 -20.322 1.00 0.00 C ATOM 437 C CYS A 44 -26.135 -11.043 -20.496 1.00 0.00 C ATOM 438 O CYS A 44 -27.340 -10.850 -20.667 1.00 0.00 O ATOM 439 CB CYS A 44 -25.818 -8.599 -20.856 1.00 0.00 C ATOM 440 SG CYS A 44 -25.711 -8.577 -22.661 1.00 0.00 S ATOM 0 H CYS A 44 -23.772 -9.563 -21.848 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.964 -9.763 -19.259 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.860 -8.544 -20.542 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.313 -7.727 -20.441 1.00 0.00 H new ATOM 0 HG CYS A 44 -26.364 -9.591 -23.147 1.00 0.00 H new ATOM 446 N ARG A 45 -25.601 -12.261 -20.455 1.00 0.00 N ATOM 447 CA ARG A 45 -26.436 -13.446 -20.609 1.00 0.00 C ATOM 448 C ARG A 45 -26.927 -13.933 -19.248 1.00 0.00 C ATOM 449 O ARG A 45 -28.109 -13.818 -18.927 1.00 0.00 O ATOM 450 CB ARG A 45 -25.626 -14.561 -21.307 1.00 0.00 C ATOM 451 CG ARG A 45 -26.537 -15.368 -22.236 1.00 0.00 C ATOM 452 CD ARG A 45 -27.596 -16.094 -21.401 1.00 0.00 C ATOM 453 NE ARG A 45 -28.398 -16.958 -22.256 1.00 0.00 N ATOM 454 CZ ARG A 45 -29.496 -16.507 -22.857 1.00 0.00 C ATOM 455 NH1 ARG A 45 -29.873 -15.268 -22.688 1.00 0.00 N ATOM 456 NH2 ARG A 45 -30.195 -17.304 -23.617 1.00 0.00 N ATOM 0 H ARG A 45 -24.608 -12.451 -20.318 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.303 -13.191 -21.219 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.807 -14.124 -21.878 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.179 -15.219 -20.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.017 -14.707 -22.958 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.949 -16.088 -22.805 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -27.114 -16.685 -20.622 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -28.237 -15.368 -20.900 1.00 0.00 H new ATOM 0 HE ARG A 45 -28.113 -17.927 -22.397 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -29.325 -14.645 -22.095 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -30.715 -14.924 -23.149 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -29.900 -18.271 -23.750 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -31.037 -16.960 -24.079 1.00 0.00 H new ATOM 470 N ASP A 46 -26.014 -14.485 -18.459 1.00 0.00 N ATOM 471 CA ASP A 46 -26.354 -14.996 -17.137 1.00 0.00 C ATOM 472 C ASP A 46 -26.104 -13.932 -16.087 1.00 0.00 C ATOM 473 O ASP A 46 -26.428 -14.114 -14.921 1.00 0.00 O ATOM 474 CB ASP A 46 -25.529 -16.245 -16.825 1.00 0.00 C ATOM 475 CG ASP A 46 -25.899 -17.375 -17.783 1.00 0.00 C ATOM 476 OD1 ASP A 46 -27.052 -17.440 -18.173 1.00 0.00 O ATOM 477 OD2 ASP A 46 -25.024 -18.163 -18.106 1.00 0.00 O ATOM 0 H ASP A 46 -25.031 -14.590 -18.712 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.411 -15.262 -17.126 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.466 -16.019 -16.911 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.705 -16.558 -15.796 1.00 0.00 H new ATOM 482 N LEU A 47 -25.525 -12.817 -16.505 1.00 0.00 N ATOM 483 CA LEU A 47 -25.237 -11.735 -15.575 1.00 0.00 C ATOM 484 C LEU A 47 -26.460 -11.443 -14.705 1.00 0.00 C ATOM 485 O LEU A 47 -26.382 -11.483 -13.476 1.00 0.00 O ATOM 486 CB LEU A 47 -24.850 -10.469 -16.356 1.00 0.00 C ATOM 487 CG LEU A 47 -24.704 -9.282 -15.394 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.673 -9.619 -14.309 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.247 -8.049 -16.172 1.00 0.00 C ATOM 0 H LEU A 47 -25.248 -12.638 -17.470 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.409 -12.036 -14.933 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.913 -10.633 -16.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.609 -10.248 -17.106 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.666 -9.078 -14.923 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.572 -8.774 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -24.004 -10.496 -13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.710 -9.827 -14.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.143 -7.206 -15.489 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.287 -8.253 -16.645 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.985 -7.808 -16.937 1.00 0.00 H new ATOM 501 N GLY A 48 -27.580 -11.141 -15.349 1.00 0.00 N ATOM 502 CA GLY A 48 -28.804 -10.834 -14.623 1.00 0.00 C ATOM 503 C GLY A 48 -29.152 -11.966 -13.665 1.00 0.00 C ATOM 504 O GLY A 48 -29.575 -11.725 -12.533 1.00 0.00 O ATOM 0 H GLY A 48 -27.666 -11.102 -16.365 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.681 -9.904 -14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.622 -10.680 -15.326 1.00 0.00 H new ATOM 508 N ASN A 49 -28.962 -13.202 -14.122 1.00 0.00 N ATOM 509 CA ASN A 49 -29.251 -14.362 -13.289 1.00 0.00 C ATOM 510 C ASN A 49 -28.310 -14.420 -12.086 1.00 0.00 C ATOM 511 O ASN A 49 -28.717 -14.771 -10.981 1.00 0.00 O ATOM 512 CB ASN A 49 -29.117 -15.643 -14.114 1.00 0.00 C ATOM 513 CG ASN A 49 -30.247 -15.729 -15.132 1.00 0.00 C ATOM 514 OD1 ASN A 49 -31.323 -15.168 -14.917 1.00 0.00 O ATOM 515 ND2 ASN A 49 -30.065 -16.395 -16.239 1.00 0.00 N ATOM 0 H ASN A 49 -28.613 -13.423 -15.055 1.00 0.00 H new ATOM 0 HA ASN A 49 -30.273 -14.272 -12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.154 -15.657 -14.625 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -29.142 -16.512 -13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.814 -16.452 -16.929 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -29.174 -16.858 -16.415 1.00 0.00 H new ATOM 522 N CYS A 50 -27.044 -14.101 -12.321 1.00 0.00 N ATOM 523 CA CYS A 50 -26.047 -14.143 -11.260 1.00 0.00 C ATOM 524 C CYS A 50 -26.436 -13.209 -10.118 1.00 0.00 C ATOM 525 O CYS A 50 -26.353 -13.583 -8.952 1.00 0.00 O ATOM 526 CB CYS A 50 -24.684 -13.713 -11.819 1.00 0.00 C ATOM 527 SG CYS A 50 -24.321 -14.648 -13.324 1.00 0.00 S ATOM 0 H CYS A 50 -26.685 -13.812 -13.231 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.990 -15.163 -10.879 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.689 -12.645 -12.035 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.905 -13.884 -11.076 1.00 0.00 H new ATOM 0 HG CYS A 50 -23.751 -15.773 -13.009 1.00 0.00 H new ATOM 533 N MET A 51 -26.855 -11.994 -10.459 1.00 0.00 N ATOM 534 CA MET A 51 -27.237 -11.020 -9.454 1.00 0.00 C ATOM 535 C MET A 51 -28.398 -11.540 -8.625 1.00 0.00 C ATOM 536 O MET A 51 -28.433 -11.354 -7.409 1.00 0.00 O ATOM 537 CB MET A 51 -27.634 -9.705 -10.125 1.00 0.00 C ATOM 538 CG MET A 51 -26.436 -9.128 -10.886 1.00 0.00 C ATOM 539 SD MET A 51 -26.878 -7.513 -11.577 1.00 0.00 S ATOM 540 CE MET A 51 -25.262 -7.119 -12.287 1.00 0.00 C ATOM 0 H MET A 51 -26.937 -11.666 -11.421 1.00 0.00 H new ATOM 0 HA MET A 51 -26.384 -10.848 -8.798 1.00 0.00 H new ATOM 0 HB2 MET A 51 -28.465 -9.872 -10.810 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.977 -8.993 -9.375 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.581 -9.027 -10.217 1.00 0.00 H new ATOM 0 HG3 MET A 51 -26.138 -9.807 -11.684 1.00 0.00 H new ATOM 0 HE1 MET A 51 -25.034 -6.068 -12.112 1.00 0.00 H new ATOM 0 HE2 MET A 51 -24.498 -7.739 -11.818 1.00 0.00 H new ATOM 0 HE3 MET A 51 -25.279 -7.313 -13.360 1.00 0.00 H new ATOM 550 N ARG A 52 -29.345 -12.194 -9.287 1.00 0.00 N ATOM 551 CA ARG A 52 -30.500 -12.735 -8.601 1.00 0.00 C ATOM 552 C ARG A 52 -30.085 -13.811 -7.600 1.00 0.00 C ATOM 553 O ARG A 52 -30.632 -13.889 -6.497 1.00 0.00 O ATOM 554 CB ARG A 52 -31.487 -13.330 -9.606 1.00 0.00 C ATOM 555 CG ARG A 52 -32.751 -13.802 -8.880 1.00 0.00 C ATOM 556 CD ARG A 52 -33.758 -14.325 -9.904 1.00 0.00 C ATOM 557 NE ARG A 52 -33.206 -15.474 -10.611 1.00 0.00 N ATOM 558 CZ ARG A 52 -33.853 -16.031 -11.630 1.00 0.00 C ATOM 559 NH1 ARG A 52 -35.004 -15.550 -12.011 1.00 0.00 N ATOM 560 NH2 ARG A 52 -33.335 -17.056 -12.251 1.00 0.00 N ATOM 0 H ARG A 52 -29.332 -12.359 -10.293 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.981 -11.919 -8.062 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.746 -12.585 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -31.025 -14.166 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.502 -14.586 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -33.186 -12.980 -8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -34.684 -14.608 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -34.008 -13.537 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 52 -32.307 -15.858 -10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -35.407 -14.747 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.501 -15.976 -12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -32.434 -17.430 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -33.832 -17.483 -13.033 1.00 0.00 H new ATOM 574 N THR A 53 -29.112 -14.628 -7.986 1.00 0.00 N ATOM 575 CA THR A 53 -28.621 -15.688 -7.114 1.00 0.00 C ATOM 576 C THR A 53 -27.913 -15.107 -5.896 1.00 0.00 C ATOM 577 O THR A 53 -28.115 -15.563 -4.770 1.00 0.00 O ATOM 578 CB THR A 53 -27.666 -16.598 -7.887 1.00 0.00 C ATOM 579 OG1 THR A 53 -28.294 -17.035 -9.085 1.00 0.00 O ATOM 580 CG2 THR A 53 -27.302 -17.808 -7.025 1.00 0.00 C ATOM 0 H THR A 53 -28.649 -14.577 -8.893 1.00 0.00 H new ATOM 0 HA THR A 53 -29.475 -16.271 -6.768 1.00 0.00 H new ATOM 0 HB THR A 53 -26.759 -16.047 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 53 -28.306 -16.301 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 53 -26.621 -18.456 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.818 -17.470 -6.109 1.00 0.00 H new ATOM 0 HG23 THR A 53 -28.207 -18.362 -6.774 1.00 0.00 H new ATOM 588 N MET A 54 -27.077 -14.100 -6.132 1.00 0.00 N ATOM 589 CA MET A 54 -26.336 -13.465 -5.049 1.00 0.00 C ATOM 590 C MET A 54 -27.288 -12.763 -4.090 1.00 0.00 C ATOM 591 O MET A 54 -26.873 -12.251 -3.051 1.00 0.00 O ATOM 592 CB MET A 54 -25.335 -12.456 -5.616 1.00 0.00 C ATOM 593 CG MET A 54 -24.227 -13.201 -6.364 1.00 0.00 C ATOM 594 SD MET A 54 -23.018 -12.013 -6.990 1.00 0.00 S ATOM 595 CE MET A 54 -21.997 -11.905 -5.497 1.00 0.00 C ATOM 0 H MET A 54 -26.897 -13.709 -7.057 1.00 0.00 H new ATOM 0 HA MET A 54 -25.795 -14.238 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.841 -11.764 -6.289 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.907 -11.860 -4.810 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.741 -13.914 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 54 -24.652 -13.773 -7.189 1.00 0.00 H new ATOM 0 HE1 MET A 54 -21.709 -10.868 -5.328 1.00 0.00 H new ATOM 0 HE2 MET A 54 -22.565 -12.268 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 54 -21.102 -12.514 -5.623 1.00 0.00 H new ATOM 605 N GLY A 55 -28.568 -12.746 -4.447 1.00 0.00 N ATOM 606 CA GLY A 55 -29.574 -12.107 -3.609 1.00 0.00 C ATOM 607 C GLY A 55 -29.572 -10.596 -3.808 1.00 0.00 C ATOM 608 O GLY A 55 -30.137 -9.854 -3.002 1.00 0.00 O ATOM 0 H GLY A 55 -28.930 -13.164 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.559 -12.507 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -29.381 -12.340 -2.562 1.00 0.00 H new ATOM 612 N TYR A 56 -28.938 -10.141 -4.890 1.00 0.00 N ATOM 613 CA TYR A 56 -28.872 -8.717 -5.174 1.00 0.00 C ATOM 614 C TYR A 56 -30.266 -8.098 -5.122 1.00 0.00 C ATOM 615 O TYR A 56 -30.412 -6.878 -5.098 1.00 0.00 O ATOM 616 CB TYR A 56 -28.263 -8.500 -6.559 1.00 0.00 C ATOM 617 CG TYR A 56 -28.117 -7.021 -6.825 1.00 0.00 C ATOM 618 CD1 TYR A 56 -27.057 -6.309 -6.248 1.00 0.00 C ATOM 619 CD2 TYR A 56 -29.038 -6.360 -7.644 1.00 0.00 C ATOM 620 CE1 TYR A 56 -26.921 -4.937 -6.490 1.00 0.00 C ATOM 621 CE2 TYR A 56 -28.902 -4.988 -7.886 1.00 0.00 C ATOM 622 CZ TYR A 56 -27.845 -4.277 -7.309 1.00 0.00 C ATOM 623 OH TYR A 56 -27.709 -2.925 -7.548 1.00 0.00 O ATOM 0 H TYR A 56 -28.469 -10.735 -5.574 1.00 0.00 H new ATOM 0 HA TYR A 56 -28.248 -8.236 -4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -27.290 -8.988 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.896 -8.955 -7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -26.345 -6.819 -5.616 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -29.855 -6.908 -8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -26.104 -4.388 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -29.614 -4.478 -8.519 1.00 0.00 H new ATOM 0 HH TYR A 56 -28.432 -2.623 -8.137 1.00 0.00 H new ATOM 633 N MET A 57 -31.286 -8.949 -5.122 1.00 0.00 N ATOM 634 CA MET A 57 -32.663 -8.477 -5.090 1.00 0.00 C ATOM 635 C MET A 57 -32.960 -7.597 -6.304 1.00 0.00 C ATOM 636 O MET A 57 -33.422 -6.464 -6.162 1.00 0.00 O ATOM 637 CB MET A 57 -32.909 -7.683 -3.807 1.00 0.00 C ATOM 638 CG MET A 57 -34.414 -7.571 -3.551 1.00 0.00 C ATOM 639 SD MET A 57 -35.045 -9.163 -2.967 1.00 0.00 S ATOM 640 CE MET A 57 -36.795 -8.709 -2.920 1.00 0.00 C ATOM 0 H MET A 57 -31.185 -9.964 -5.144 1.00 0.00 H new ATOM 0 HA MET A 57 -33.326 -9.342 -5.116 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.423 -8.175 -2.965 1.00 0.00 H new ATOM 0 HB3 MET A 57 -32.470 -6.689 -3.893 1.00 0.00 H new ATOM 0 HG2 MET A 57 -34.611 -6.796 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 57 -34.929 -7.277 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 57 -37.383 -9.561 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 57 -36.936 -7.874 -2.234 1.00 0.00 H new ATOM 0 HE3 MET A 57 -37.122 -8.418 -3.918 1.00 0.00 H new ATOM 650 N PRO A 58 -32.710 -8.099 -7.484 1.00 0.00 N ATOM 651 CA PRO A 58 -32.961 -7.348 -8.747 1.00 0.00 C ATOM 652 C PRO A 58 -34.443 -7.318 -9.111 1.00 0.00 C ATOM 653 O PRO A 58 -35.118 -8.347 -9.100 1.00 0.00 O ATOM 654 CB PRO A 58 -32.155 -8.130 -9.795 1.00 0.00 C ATOM 655 CG PRO A 58 -32.100 -9.536 -9.272 1.00 0.00 C ATOM 656 CD PRO A 58 -32.157 -9.441 -7.748 1.00 0.00 C ATOM 0 HA PRO A 58 -32.668 -6.301 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.636 -8.091 -10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -31.155 -7.714 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.934 -10.124 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.185 -10.033 -9.595 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.789 -10.222 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -31.168 -9.557 -7.305 1.00 0.00 H new ATOM 664 N THR A 59 -34.939 -6.134 -9.439 1.00 0.00 N ATOM 665 CA THR A 59 -36.340 -5.984 -9.810 1.00 0.00 C ATOM 666 C THR A 59 -36.649 -6.801 -11.062 1.00 0.00 C ATOM 667 O THR A 59 -35.920 -7.728 -11.404 1.00 0.00 O ATOM 668 CB THR A 59 -36.661 -4.499 -10.065 1.00 0.00 C ATOM 669 OG1 THR A 59 -35.722 -3.692 -9.371 1.00 0.00 O ATOM 670 CG2 THR A 59 -38.078 -4.177 -9.576 1.00 0.00 C ATOM 0 H THR A 59 -34.398 -5.269 -9.456 1.00 0.00 H new ATOM 0 HA THR A 59 -36.958 -6.350 -8.990 1.00 0.00 H new ATOM 0 HB THR A 59 -36.601 -4.295 -11.134 1.00 0.00 H new ATOM 0 HG1 THR A 59 -35.922 -2.746 -9.532 1.00 0.00 H new ATOM 0 HG21 THR A 59 -38.296 -3.125 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 59 -38.797 -4.796 -10.112 1.00 0.00 H new ATOM 0 HG23 THR A 59 -38.149 -4.381 -8.508 1.00 0.00 H new ATOM 678 N GLU A 60 -37.737 -6.441 -11.743 1.00 0.00 N ATOM 679 CA GLU A 60 -38.133 -7.142 -12.959 1.00 0.00 C ATOM 680 C GLU A 60 -37.417 -6.541 -14.160 1.00 0.00 C ATOM 681 O GLU A 60 -36.811 -7.251 -14.948 1.00 0.00 O ATOM 682 CB GLU A 60 -39.643 -7.040 -13.155 1.00 0.00 C ATOM 683 CG GLU A 60 -40.075 -7.978 -14.286 1.00 0.00 C ATOM 684 CD GLU A 60 -40.008 -9.427 -13.814 1.00 0.00 C ATOM 685 OE1 GLU A 60 -39.763 -9.636 -12.637 1.00 0.00 O ATOM 686 OE2 GLU A 60 -40.204 -10.307 -14.637 1.00 0.00 O ATOM 0 H GLU A 60 -38.354 -5.674 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.857 -8.192 -12.866 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -40.159 -7.304 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.921 -6.013 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -41.090 -7.736 -14.603 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.429 -7.839 -15.153 1.00 0.00 H new ATOM 693 N MET A 61 -37.510 -5.228 -14.303 1.00 0.00 N ATOM 694 CA MET A 61 -36.867 -4.536 -15.414 1.00 0.00 C ATOM 695 C MET A 61 -35.413 -4.244 -15.091 1.00 0.00 C ATOM 696 O MET A 61 -34.644 -3.836 -15.956 1.00 0.00 O ATOM 697 CB MET A 61 -37.596 -3.230 -15.727 1.00 0.00 C ATOM 698 CG MET A 61 -38.984 -3.538 -16.293 1.00 0.00 C ATOM 699 SD MET A 61 -39.922 -1.998 -16.471 1.00 0.00 S ATOM 700 CE MET A 61 -39.002 -1.318 -17.874 1.00 0.00 C ATOM 0 H MET A 61 -38.023 -4.619 -13.666 1.00 0.00 H new ATOM 0 HA MET A 61 -36.912 -5.186 -16.288 1.00 0.00 H new ATOM 0 HB2 MET A 61 -37.687 -2.627 -14.823 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.022 -2.644 -16.445 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.892 -4.034 -17.259 1.00 0.00 H new ATOM 0 HG3 MET A 61 -39.514 -4.224 -15.632 1.00 0.00 H new ATOM 0 HE1 MET A 61 -39.614 -0.575 -18.385 1.00 0.00 H new ATOM 0 HE2 MET A 61 -38.086 -0.849 -17.515 1.00 0.00 H new ATOM 0 HE3 MET A 61 -38.752 -2.120 -18.568 1.00 0.00 H new ATOM 710 N GLU A 62 -35.050 -4.440 -13.836 1.00 0.00 N ATOM 711 CA GLU A 62 -33.687 -4.177 -13.403 1.00 0.00 C ATOM 712 C GLU A 62 -32.680 -5.032 -14.157 1.00 0.00 C ATOM 713 O GLU A 62 -31.774 -4.523 -14.800 1.00 0.00 O ATOM 714 CB GLU A 62 -33.551 -4.463 -11.899 1.00 0.00 C ATOM 715 CG GLU A 62 -32.126 -4.127 -11.434 1.00 0.00 C ATOM 716 CD GLU A 62 -31.166 -5.269 -11.767 1.00 0.00 C ATOM 717 OE1 GLU A 62 -31.634 -6.366 -12.011 1.00 0.00 O ATOM 718 OE2 GLU A 62 -29.972 -5.028 -11.778 1.00 0.00 O ATOM 0 H GLU A 62 -35.674 -4.778 -13.103 1.00 0.00 H new ATOM 0 HA GLU A 62 -33.476 -3.128 -13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -34.275 -3.871 -11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.772 -5.511 -11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -31.788 -3.209 -11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -32.122 -3.944 -10.360 1.00 0.00 H new ATOM 725 N LEU A 63 -32.841 -6.336 -14.073 1.00 0.00 N ATOM 726 CA LEU A 63 -31.933 -7.256 -14.750 1.00 0.00 C ATOM 727 C LEU A 63 -32.206 -7.304 -16.244 1.00 0.00 C ATOM 728 O LEU A 63 -31.462 -7.936 -17.000 1.00 0.00 O ATOM 729 CB LEU A 63 -32.080 -8.665 -14.142 1.00 0.00 C ATOM 730 CG LEU A 63 -33.362 -9.341 -14.662 1.00 0.00 C ATOM 731 CD1 LEU A 63 -33.483 -10.738 -14.082 1.00 0.00 C ATOM 732 CD2 LEU A 63 -34.569 -8.504 -14.247 1.00 0.00 C ATOM 0 H LEU A 63 -33.588 -6.788 -13.546 1.00 0.00 H new ATOM 0 HA LEU A 63 -30.913 -6.898 -14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -31.211 -9.271 -14.399 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -32.112 -8.598 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 63 -33.320 -9.414 -15.749 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -34.392 -11.209 -14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -32.619 -11.332 -14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -33.525 -10.678 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -35.482 -8.976 -14.611 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -34.606 -8.433 -13.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -34.482 -7.504 -14.673 1.00 0.00 H new ATOM 744 N ILE A 64 -33.280 -6.644 -16.672 1.00 0.00 N ATOM 745 CA ILE A 64 -33.638 -6.617 -18.084 1.00 0.00 C ATOM 746 C ILE A 64 -33.180 -5.312 -18.725 1.00 0.00 C ATOM 747 O ILE A 64 -32.744 -5.290 -19.870 1.00 0.00 O ATOM 748 CB ILE A 64 -35.141 -6.779 -18.245 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.556 -8.196 -17.834 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.543 -6.529 -19.696 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.082 -8.282 -17.733 1.00 0.00 C ATOM 0 H ILE A 64 -33.913 -6.124 -16.064 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.137 -7.445 -18.585 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.645 -6.054 -17.606 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.190 -8.918 -18.564 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.104 -8.454 -16.876 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.621 -6.648 -19.800 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -35.260 -5.516 -19.983 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -35.035 -7.244 -20.343 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.371 -9.291 -17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.438 -7.572 -16.986 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.525 -8.044 -18.700 1.00 0.00 H new ATOM 763 N GLU A 65 -33.299 -4.224 -17.970 1.00 0.00 N ATOM 764 CA GLU A 65 -32.916 -2.915 -18.473 1.00 0.00 C ATOM 765 C GLU A 65 -31.406 -2.753 -18.460 1.00 0.00 C ATOM 766 O GLU A 65 -30.834 -2.178 -19.372 1.00 0.00 O ATOM 767 CB GLU A 65 -33.554 -1.812 -17.619 1.00 0.00 C ATOM 768 CG GLU A 65 -33.259 -0.446 -18.240 1.00 0.00 C ATOM 769 CD GLU A 65 -33.940 0.654 -17.433 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.784 0.325 -16.615 1.00 0.00 O ATOM 771 OE2 GLU A 65 -33.606 1.809 -17.639 1.00 0.00 O ATOM 0 H GLU A 65 -33.655 -4.225 -17.014 1.00 0.00 H new ATOM 0 HA GLU A 65 -33.271 -2.831 -19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.631 -1.967 -17.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.162 -1.853 -16.603 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -32.183 -0.275 -18.267 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -33.612 -0.423 -19.271 1.00 0.00 H new ATOM 778 N LEU A 66 -30.770 -3.278 -17.422 1.00 0.00 N ATOM 779 CA LEU A 66 -29.316 -3.200 -17.307 1.00 0.00 C ATOM 780 C LEU A 66 -28.637 -4.164 -18.272 1.00 0.00 C ATOM 781 O LEU A 66 -27.619 -3.843 -18.875 1.00 0.00 O ATOM 782 CB LEU A 66 -28.889 -3.507 -15.862 1.00 0.00 C ATOM 783 CG LEU A 66 -28.919 -2.224 -15.028 1.00 0.00 C ATOM 784 CD1 LEU A 66 -30.315 -1.598 -15.084 1.00 0.00 C ATOM 785 CD2 LEU A 66 -28.562 -2.554 -13.577 1.00 0.00 C ATOM 0 H LEU A 66 -31.232 -3.760 -16.651 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.005 -2.188 -17.567 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.556 -4.250 -15.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -27.886 -3.934 -15.853 1.00 0.00 H new ATOM 0 HG LEU A 66 -28.195 -1.516 -15.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -30.329 -0.685 -14.488 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -30.566 -1.360 -16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -31.046 -2.302 -14.686 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -28.583 -1.642 -12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -29.285 -3.265 -13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -27.564 -2.990 -13.538 1.00 0.00 H new ATOM 797 N SER A 67 -29.200 -5.356 -18.393 1.00 0.00 N ATOM 798 CA SER A 67 -28.627 -6.366 -19.274 1.00 0.00 C ATOM 799 C SER A 67 -28.643 -5.887 -20.716 1.00 0.00 C ATOM 800 O SER A 67 -27.595 -5.689 -21.327 1.00 0.00 O ATOM 801 CB SER A 67 -29.426 -7.667 -19.158 1.00 0.00 C ATOM 802 OG SER A 67 -29.247 -8.220 -17.860 1.00 0.00 O ATOM 0 H SER A 67 -30.044 -5.647 -17.899 1.00 0.00 H new ATOM 0 HA SER A 67 -27.594 -6.543 -18.974 1.00 0.00 H new ATOM 0 HB2 SER A 67 -30.483 -7.474 -19.340 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.096 -8.377 -19.916 1.00 0.00 H new ATOM 0 HG SER A 67 -29.976 -7.925 -17.275 1.00 0.00 H new ATOM 808 N GLN A 68 -29.839 -5.695 -21.253 1.00 0.00 N ATOM 809 CA GLN A 68 -29.974 -5.238 -22.630 1.00 0.00 C ATOM 810 C GLN A 68 -29.198 -3.951 -22.851 1.00 0.00 C ATOM 811 O GLN A 68 -28.749 -3.671 -23.966 1.00 0.00 O ATOM 812 CB GLN A 68 -31.458 -5.011 -22.962 1.00 0.00 C ATOM 813 CG GLN A 68 -31.604 -4.606 -24.429 1.00 0.00 C ATOM 814 CD GLN A 68 -33.079 -4.484 -24.794 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.800 -3.674 -24.211 1.00 0.00 O ATOM 816 NE2 GLN A 68 -33.572 -5.245 -25.731 1.00 0.00 N ATOM 0 H GLN A 68 -30.721 -5.846 -20.764 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.566 -6.006 -23.288 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -32.027 -5.920 -22.768 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.870 -4.234 -22.318 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.098 -3.657 -24.604 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -31.123 -5.346 -25.068 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.972 -5.915 -26.212 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -34.558 -5.170 -25.983 1.00 0.00 H new ATOM 825 N GLN A 69 -29.011 -3.191 -21.784 1.00 0.00 N ATOM 826 CA GLN A 69 -28.250 -1.946 -21.870 1.00 0.00 C ATOM 827 C GLN A 69 -26.780 -2.260 -22.126 1.00 0.00 C ATOM 828 O GLN A 69 -26.133 -1.626 -22.958 1.00 0.00 O ATOM 829 CB GLN A 69 -28.404 -1.140 -20.583 1.00 0.00 C ATOM 830 CG GLN A 69 -27.490 0.081 -20.622 1.00 0.00 C ATOM 831 CD GLN A 69 -27.825 1.020 -19.473 1.00 0.00 C ATOM 832 OE1 GLN A 69 -28.744 0.750 -18.697 1.00 0.00 O ATOM 833 NE2 GLN A 69 -27.130 2.109 -19.313 1.00 0.00 N ATOM 0 H GLN A 69 -29.370 -3.408 -20.854 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.636 -1.350 -22.697 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -29.441 -0.825 -20.463 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -28.158 -1.762 -19.722 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.448 -0.232 -20.554 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -27.605 0.601 -21.573 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -26.370 2.329 -19.957 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -27.345 2.743 -18.543 1.00 0.00 H new ATOM 842 N ILE A 70 -26.261 -3.247 -21.407 1.00 0.00 N ATOM 843 CA ILE A 70 -24.873 -3.648 -21.572 1.00 0.00 C ATOM 844 C ILE A 70 -24.652 -4.187 -22.980 1.00 0.00 C ATOM 845 O ILE A 70 -23.635 -3.886 -23.614 1.00 0.00 O ATOM 846 CB ILE A 70 -24.502 -4.718 -20.540 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.438 -4.092 -19.146 1.00 0.00 C ATOM 848 CG2 ILE A 70 -23.141 -5.335 -20.890 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.347 -5.201 -18.093 1.00 0.00 C ATOM 0 H ILE A 70 -26.778 -3.781 -20.708 1.00 0.00 H new ATOM 0 HA ILE A 70 -24.236 -2.777 -21.418 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.262 -5.499 -20.551 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.573 -3.433 -19.071 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.322 -3.480 -18.970 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.885 -6.095 -20.151 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -23.192 -5.792 -21.878 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.378 -4.557 -20.890 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.301 -4.756 -17.099 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.225 -5.843 -18.163 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.449 -5.795 -18.266 1.00 0.00 H new ATOM 861 N ASN A 71 -25.606 -4.992 -23.461 1.00 0.00 N ATOM 862 CA ASN A 71 -25.482 -5.574 -24.789 1.00 0.00 C ATOM 863 C ASN A 71 -25.151 -4.496 -25.810 1.00 0.00 C ATOM 864 O ASN A 71 -24.166 -4.602 -26.541 1.00 0.00 O ATOM 865 CB ASN A 71 -26.794 -6.256 -25.166 1.00 0.00 C ATOM 866 CG ASN A 71 -26.699 -6.826 -26.576 1.00 0.00 C ATOM 867 OD1 ASN A 71 -27.240 -6.248 -27.518 1.00 0.00 O ATOM 868 ND2 ASN A 71 -26.038 -7.934 -26.778 1.00 0.00 N ATOM 0 H ASN A 71 -26.455 -5.248 -22.957 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.676 -6.307 -24.783 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.016 -7.053 -24.457 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.615 -5.541 -25.109 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.969 -8.323 -27.719 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.591 -8.411 -25.995 1.00 0.00 H new ATOM 875 N MET A 72 -25.977 -3.458 -25.858 1.00 0.00 N ATOM 876 CA MET A 72 -25.765 -2.353 -26.798 1.00 0.00 C ATOM 877 C MET A 72 -25.291 -1.115 -26.054 1.00 0.00 C ATOM 878 O MET A 72 -26.072 -0.203 -25.790 1.00 0.00 O ATOM 879 CB MET A 72 -27.064 -2.040 -27.535 1.00 0.00 C ATOM 880 CG MET A 72 -26.789 -1.008 -28.631 1.00 0.00 C ATOM 881 SD MET A 72 -28.324 -0.657 -29.529 1.00 0.00 S ATOM 882 CE MET A 72 -28.097 -1.870 -30.853 1.00 0.00 C ATOM 0 H MET A 72 -26.798 -3.354 -25.262 1.00 0.00 H new ATOM 0 HA MET A 72 -25.003 -2.649 -27.519 1.00 0.00 H new ATOM 0 HB2 MET A 72 -27.476 -2.950 -27.972 1.00 0.00 H new ATOM 0 HB3 MET A 72 -27.808 -1.656 -26.837 1.00 0.00 H new ATOM 0 HG2 MET A 72 -26.394 -0.092 -28.192 1.00 0.00 H new ATOM 0 HG3 MET A 72 -26.031 -1.384 -29.318 1.00 0.00 H new ATOM 0 HE1 MET A 72 -28.945 -1.826 -31.537 1.00 0.00 H new ATOM 0 HE2 MET A 72 -27.180 -1.647 -31.398 1.00 0.00 H new ATOM 0 HE3 MET A 72 -28.030 -2.869 -30.423 1.00 0.00 H new ATOM 892 N ASN A 73 -24.006 -1.088 -25.725 1.00 0.00 N ATOM 893 CA ASN A 73 -23.429 0.043 -25.009 1.00 0.00 C ATOM 894 C ASN A 73 -21.922 -0.134 -24.854 1.00 0.00 C ATOM 895 O ASN A 73 -21.137 0.456 -25.597 1.00 0.00 O ATOM 896 CB ASN A 73 -24.072 0.172 -23.626 1.00 0.00 C ATOM 897 CG ASN A 73 -23.442 1.329 -22.858 1.00 0.00 C ATOM 898 OD1 ASN A 73 -22.404 1.159 -22.223 1.00 0.00 O ATOM 899 ND2 ASN A 73 -24.016 2.501 -22.878 1.00 0.00 N ATOM 0 H ASN A 73 -23.345 -1.834 -25.942 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.622 0.948 -25.585 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -25.145 0.336 -23.730 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.944 -0.756 -23.069 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.603 3.280 -22.365 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.878 2.638 -23.406 1.00 0.00 H new ATOM 906 N LEU A 74 -21.524 -0.937 -23.876 1.00 0.00 N ATOM 907 CA LEU A 74 -20.109 -1.168 -23.629 1.00 0.00 C ATOM 908 C LEU A 74 -19.461 -1.849 -24.835 1.00 0.00 C ATOM 909 O LEU A 74 -18.394 -1.447 -25.298 1.00 0.00 O ATOM 910 CB LEU A 74 -19.939 -2.053 -22.377 1.00 0.00 C ATOM 911 CG LEU A 74 -18.591 -1.755 -21.707 1.00 0.00 C ATOM 912 CD1 LEU A 74 -18.458 -2.584 -20.434 1.00 0.00 C ATOM 913 CD2 LEU A 74 -17.443 -2.088 -22.670 1.00 0.00 C ATOM 0 H LEU A 74 -22.155 -1.434 -23.247 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.620 -0.208 -23.465 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.753 -1.867 -21.676 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.992 -3.106 -22.655 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.543 -0.696 -21.453 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.500 -2.371 -19.960 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -19.267 -2.331 -19.749 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.512 -3.644 -20.683 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.489 -1.874 -22.187 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -17.486 -3.144 -22.936 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -17.537 -1.483 -23.572 1.00 0.00 H new ATOM 925 N GLY A 75 -20.117 -2.881 -25.343 1.00 0.00 N ATOM 926 CA GLY A 75 -19.595 -3.610 -26.493 1.00 0.00 C ATOM 927 C GLY A 75 -20.276 -4.963 -26.638 1.00 0.00 C ATOM 928 O GLY A 75 -20.340 -5.520 -27.732 1.00 0.00 O ATOM 0 H GLY A 75 -21.004 -3.232 -24.982 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -19.747 -3.024 -27.399 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.520 -3.750 -26.381 1.00 0.00 H new ATOM 932 N GLY A 76 -20.785 -5.494 -25.527 1.00 0.00 N ATOM 933 CA GLY A 76 -21.462 -6.791 -25.540 1.00 0.00 C ATOM 934 C GLY A 76 -20.615 -7.853 -24.847 1.00 0.00 C ATOM 935 O GLY A 76 -20.688 -9.032 -25.187 1.00 0.00 O ATOM 0 H GLY A 76 -20.742 -5.049 -24.610 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.427 -6.707 -25.041 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.660 -7.092 -26.569 1.00 0.00 H new ATOM 939 N HIS A 77 -19.818 -7.429 -23.875 1.00 0.00 N ATOM 940 CA HIS A 77 -18.965 -8.356 -23.139 1.00 0.00 C ATOM 941 C HIS A 77 -18.557 -7.757 -21.802 1.00 0.00 C ATOM 942 O HIS A 77 -18.386 -6.543 -21.680 1.00 0.00 O ATOM 943 CB HIS A 77 -17.716 -8.678 -23.958 1.00 0.00 C ATOM 944 CG HIS A 77 -16.939 -7.416 -24.210 1.00 0.00 C ATOM 945 ND1 HIS A 77 -15.583 -7.317 -23.940 1.00 0.00 N ATOM 946 CD2 HIS A 77 -17.312 -6.191 -24.704 1.00 0.00 C ATOM 947 CE1 HIS A 77 -15.192 -6.073 -24.271 1.00 0.00 C ATOM 948 NE2 HIS A 77 -16.208 -5.344 -24.742 1.00 0.00 N ATOM 0 H HIS A 77 -19.743 -6.456 -23.578 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.526 -9.273 -22.958 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.096 -9.399 -23.426 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.998 -9.138 -24.905 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.311 -5.925 -25.016 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.181 -5.708 -24.169 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -16.181 -4.375 -25.061 1.00 0.00 H new ATOM 956 N VAL A 78 -18.402 -8.613 -20.793 1.00 0.00 N ATOM 957 CA VAL A 78 -18.007 -8.149 -19.463 1.00 0.00 C ATOM 958 C VAL A 78 -16.916 -9.049 -18.892 1.00 0.00 C ATOM 959 O VAL A 78 -17.043 -10.271 -18.897 1.00 0.00 O ATOM 960 CB VAL A 78 -19.223 -8.152 -18.534 1.00 0.00 C ATOM 961 CG1 VAL A 78 -18.849 -7.514 -17.195 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.360 -7.359 -19.180 1.00 0.00 C ATOM 0 H VAL A 78 -18.542 -9.621 -20.868 1.00 0.00 H new ATOM 0 HA VAL A 78 -17.617 -7.134 -19.544 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.547 -9.179 -18.365 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -19.717 -7.517 -16.535 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.041 -8.082 -16.734 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.523 -6.487 -17.360 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.226 -7.361 -18.519 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.036 -6.332 -19.351 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.629 -7.818 -20.131 1.00 0.00 H new ATOM 972 N ASP A 79 -15.855 -8.432 -18.384 1.00 0.00 N ATOM 973 CA ASP A 79 -14.744 -9.180 -17.786 1.00 0.00 C ATOM 974 C ASP A 79 -14.892 -9.231 -16.279 1.00 0.00 C ATOM 975 O ASP A 79 -15.467 -8.330 -15.672 1.00 0.00 O ATOM 976 CB ASP A 79 -13.417 -8.522 -18.158 1.00 0.00 C ATOM 977 CG ASP A 79 -12.261 -9.430 -17.760 1.00 0.00 C ATOM 978 OD1 ASP A 79 -12.527 -10.493 -17.223 1.00 0.00 O ATOM 979 OD2 ASP A 79 -11.128 -9.049 -17.995 1.00 0.00 O ATOM 0 H ASP A 79 -15.736 -7.419 -18.372 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.760 -10.199 -18.172 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.385 -8.327 -19.230 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.325 -7.559 -17.656 1.00 0.00 H new ATOM 984 N PHE A 80 -14.373 -10.298 -15.676 1.00 0.00 N ATOM 985 CA PHE A 80 -14.457 -10.455 -14.232 1.00 0.00 C ATOM 986 C PHE A 80 -14.194 -9.124 -13.537 1.00 0.00 C ATOM 987 O PHE A 80 -14.667 -8.889 -12.423 1.00 0.00 O ATOM 988 CB PHE A 80 -13.436 -11.498 -13.759 1.00 0.00 C ATOM 989 CG PHE A 80 -13.385 -11.516 -12.245 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.544 -11.804 -11.512 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.188 -11.232 -11.575 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.503 -11.813 -10.116 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.150 -11.242 -10.179 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.309 -11.532 -9.449 1.00 0.00 C ATOM 0 H PHE A 80 -13.895 -11.057 -16.161 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.461 -10.793 -13.976 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.709 -12.484 -14.135 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.451 -11.265 -14.163 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.469 -12.019 -12.027 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.295 -11.005 -12.138 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.396 -12.038 -9.552 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.226 -11.026 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.279 -11.538 -8.369 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.436 -8.257 -14.202 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.115 -6.953 -13.631 1.00 0.00 C ATOM 1006 C ASP A 81 -14.326 -6.038 -13.717 1.00 0.00 C ATOM 1007 O ASP A 81 -14.744 -5.457 -12.724 1.00 0.00 O ATOM 1008 CB ASP A 81 -11.937 -6.330 -14.381 1.00 0.00 C ATOM 1009 CG ASP A 81 -10.654 -7.098 -14.074 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -10.671 -7.898 -13.153 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -9.675 -6.879 -14.770 1.00 0.00 O ATOM 0 H ASP A 81 -13.037 -8.430 -15.125 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.840 -7.082 -12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.130 -6.344 -15.454 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.823 -5.285 -14.091 1.00 0.00 H new ATOM 1016 N ASP A 82 -14.894 -5.932 -14.912 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.065 -5.102 -15.120 1.00 0.00 C ATOM 1018 C ASP A 82 -17.248 -5.655 -14.332 1.00 0.00 C ATOM 1019 O ASP A 82 -18.015 -4.906 -13.734 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.417 -5.042 -16.605 1.00 0.00 C ATOM 1021 CG ASP A 82 -15.395 -4.189 -17.349 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -14.693 -3.434 -16.697 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -15.331 -4.302 -18.562 1.00 0.00 O ATOM 0 H ASP A 82 -14.560 -6.411 -15.748 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.842 -4.095 -14.769 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.437 -6.048 -17.023 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.415 -4.624 -16.734 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.382 -6.975 -14.334 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.471 -7.623 -13.615 1.00 0.00 C ATOM 1030 C PHE A 83 -18.376 -7.308 -12.126 1.00 0.00 C ATOM 1031 O PHE A 83 -19.379 -7.320 -11.414 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.410 -9.145 -13.835 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.146 -9.860 -12.719 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.537 -9.768 -12.633 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.432 -10.593 -11.766 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.219 -10.413 -11.595 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.109 -11.239 -10.729 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.502 -11.151 -10.644 1.00 0.00 C ATOM 0 H PHE A 83 -16.755 -7.614 -14.822 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.420 -7.246 -13.995 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.855 -9.400 -14.797 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.372 -9.475 -13.867 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.087 -9.199 -13.368 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.356 -10.660 -11.832 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.295 -10.342 -11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.557 -11.806 -9.994 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.026 -11.653 -9.844 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.163 -7.050 -11.657 1.00 0.00 N ATOM 1049 CA VAL A 84 -16.948 -6.747 -10.249 1.00 0.00 C ATOM 1050 C VAL A 84 -17.053 -5.245 -10.015 1.00 0.00 C ATOM 1051 O VAL A 84 -17.636 -4.801 -9.029 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.564 -7.253 -9.811 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.174 -6.606 -8.474 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.608 -8.775 -9.641 1.00 0.00 C ATOM 0 H VAL A 84 -16.317 -7.044 -12.227 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.713 -7.249 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.828 -6.988 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.192 -6.968 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.142 -5.523 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.911 -6.868 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.627 -9.135 -9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.347 -9.035 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.881 -9.239 -10.589 1.00 0.00 H new ATOM 1064 N GLU A 85 -16.460 -4.470 -10.914 1.00 0.00 N ATOM 1065 CA GLU A 85 -16.477 -3.020 -10.785 1.00 0.00 C ATOM 1066 C GLU A 85 -17.899 -2.497 -10.868 1.00 0.00 C ATOM 1067 O GLU A 85 -18.292 -1.616 -10.102 1.00 0.00 O ATOM 1068 CB GLU A 85 -15.623 -2.388 -11.892 1.00 0.00 C ATOM 1069 CG GLU A 85 -14.140 -2.629 -11.602 1.00 0.00 C ATOM 1070 CD GLU A 85 -13.709 -1.820 -10.385 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -14.368 -0.837 -10.088 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -12.715 -2.183 -9.777 1.00 0.00 O ATOM 0 H GLU A 85 -15.965 -4.819 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.063 -2.751 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.889 -2.816 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.822 -1.318 -11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.963 -3.690 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.541 -2.346 -12.468 1.00 0.00 H new ATOM 1079 N LEU A 86 -18.663 -3.033 -11.805 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.032 -2.591 -11.979 1.00 0.00 C ATOM 1081 C LEU A 86 -20.840 -2.846 -10.709 1.00 0.00 C ATOM 1082 O LEU A 86 -21.600 -1.989 -10.256 1.00 0.00 O ATOM 1083 CB LEU A 86 -20.677 -3.350 -13.165 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.730 -2.460 -13.843 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.752 -1.978 -12.801 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -21.031 -1.239 -14.502 1.00 0.00 C ATOM 0 H LEU A 86 -18.362 -3.765 -12.448 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.031 -1.521 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.911 -3.635 -13.886 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.140 -4.271 -12.810 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.249 -3.034 -14.610 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -23.497 -1.347 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.245 -2.839 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.240 -1.405 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -21.778 -0.608 -14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -20.507 -0.664 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -20.316 -1.588 -15.248 1.00 0.00 H new ATOM 1098 N MET A 87 -20.665 -4.022 -10.143 1.00 0.00 N ATOM 1099 CA MET A 87 -21.375 -4.387 -8.927 1.00 0.00 C ATOM 1100 C MET A 87 -20.862 -3.569 -7.753 1.00 0.00 C ATOM 1101 O MET A 87 -21.601 -3.275 -6.813 1.00 0.00 O ATOM 1102 CB MET A 87 -21.204 -5.876 -8.640 1.00 0.00 C ATOM 1103 CG MET A 87 -21.952 -6.689 -9.699 1.00 0.00 C ATOM 1104 SD MET A 87 -21.743 -8.454 -9.356 1.00 0.00 S ATOM 1105 CE MET A 87 -22.644 -8.490 -7.784 1.00 0.00 C ATOM 0 H MET A 87 -20.039 -4.743 -10.502 1.00 0.00 H new ATOM 0 HA MET A 87 -22.435 -4.176 -9.068 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.146 -6.139 -8.644 1.00 0.00 H new ATOM 0 HB3 MET A 87 -21.587 -6.112 -7.647 1.00 0.00 H new ATOM 0 HG2 MET A 87 -23.010 -6.429 -9.693 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.571 -6.452 -10.692 1.00 0.00 H new ATOM 0 HE1 MET A 87 -21.937 -8.599 -6.962 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.201 -7.561 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.337 -9.332 -7.781 1.00 0.00 H new ATOM 1115 N GLY A 88 -19.579 -3.217 -7.805 1.00 0.00 N ATOM 1116 CA GLY A 88 -18.963 -2.441 -6.741 1.00 0.00 C ATOM 1117 C GLY A 88 -19.821 -1.231 -6.375 1.00 0.00 C ATOM 1118 O GLY A 88 -20.920 -1.056 -6.896 1.00 0.00 O ATOM 0 H GLY A 88 -18.951 -3.458 -8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.823 -3.070 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.974 -2.108 -7.056 1.00 0.00 H new