USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 8 ASN : amide:sc=-0.00472 K(o=-0.0047,f=-0.92) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -52:sc= 0.273 USER MOD Single : A 51 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -122:sc= 0.719 USER MOD Single : A 57 THR OG1 : rot 160:sc= 0.961 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -155:sc= -1.16 (180deg=-1.67) USER MOD Single : A 70 CYS SG : rot 69:sc= -0.0551 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.98) USER MOD Single : A 76 HIS : no HD1:sc= -1.82! K(o=-1.8!,f=0.54) USER MOD Single : A 77 MET CE :methyl 165:sc= -0.049 (180deg=-0.362) USER MOD Single : A 78 TYR OH : rot -140:sc= 0.0668 USER MOD Single : A 80 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.66) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.123 (180deg=-0.574) USER MOD ----------------------------------------------------------------- ATOM 106 N ASN A 8 -1.738 -15.467 -4.885 1.00 0.00 N ATOM 107 CA ASN A 8 -1.141 -14.701 -3.788 1.00 0.00 C ATOM 108 C ASN A 8 -0.611 -13.376 -4.302 1.00 0.00 C ATOM 109 O ASN A 8 -0.303 -12.470 -3.534 1.00 0.00 O ATOM 110 CB ASN A 8 -0.010 -15.484 -3.107 1.00 0.00 C ATOM 111 CG ASN A 8 -0.502 -16.705 -2.350 1.00 0.00 C ATOM 112 OD1 ASN A 8 -1.646 -16.754 -1.896 1.00 0.00 O ATOM 113 ND2 ASN A 8 0.361 -17.690 -2.195 1.00 0.00 N ATOM 0 HA ASN A 8 -1.921 -14.518 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.712 -15.798 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.516 -14.824 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.090 -18.530 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.300 -17.612 -2.586 1.00 0.00 H new ATOM 120 N LEU A 9 -0.521 -13.273 -5.614 1.00 0.00 N ATOM 121 CA LEU A 9 0.021 -12.076 -6.245 1.00 0.00 C ATOM 122 C LEU A 9 -1.007 -11.330 -7.088 1.00 0.00 C ATOM 123 O LEU A 9 -0.687 -10.307 -7.692 1.00 0.00 O ATOM 124 CB LEU A 9 1.267 -12.393 -7.059 1.00 0.00 C ATOM 125 CG LEU A 9 2.437 -12.981 -6.263 1.00 0.00 C ATOM 126 CD1 LEU A 9 3.646 -13.187 -7.162 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.788 -12.093 -5.064 1.00 0.00 C ATOM 0 H LEU A 9 -0.815 -14.000 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 9 0.303 -11.406 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.997 -13.095 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.604 -11.479 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 9 2.131 -13.953 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.466 -13.605 -6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.387 -13.874 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.952 -12.230 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.621 -12.533 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.069 -11.101 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.923 -12.013 -4.405 1.00 0.00 H new ATOM 139 N ALA A 10 -2.231 -11.842 -7.131 1.00 0.00 N ATOM 140 CA ALA A 10 -3.286 -11.248 -7.956 1.00 0.00 C ATOM 141 C ALA A 10 -3.598 -9.814 -7.543 1.00 0.00 C ATOM 142 O ALA A 10 -3.569 -8.903 -8.367 1.00 0.00 O ATOM 143 CB ALA A 10 -4.547 -12.099 -7.889 1.00 0.00 C ATOM 0 H ALA A 10 -2.521 -12.667 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.920 -11.220 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.324 -11.647 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.329 -13.102 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.892 -12.158 -6.857 1.00 0.00 H new ATOM 149 N ALA A 11 -3.875 -9.618 -6.269 1.00 0.00 N ATOM 150 CA ALA A 11 -4.213 -8.301 -5.760 1.00 0.00 C ATOM 151 C ALA A 11 -2.963 -7.488 -5.470 1.00 0.00 C ATOM 152 O ALA A 11 -2.940 -6.271 -5.673 1.00 0.00 O ATOM 153 CB ALA A 11 -5.075 -8.417 -4.510 1.00 0.00 C ATOM 0 H ALA A 11 -3.873 -10.356 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.783 -7.780 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.319 -7.420 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.995 -8.950 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.529 -8.964 -3.741 1.00 0.00 H new ATOM 159 N PHE A 12 -1.917 -8.175 -5.016 1.00 0.00 N ATOM 160 CA PHE A 12 -0.674 -7.524 -4.620 1.00 0.00 C ATOM 161 C PHE A 12 -0.058 -6.738 -5.787 1.00 0.00 C ATOM 162 O PHE A 12 0.172 -5.530 -5.678 1.00 0.00 O ATOM 163 CB PHE A 12 0.314 -8.597 -4.121 1.00 0.00 C ATOM 164 CG PHE A 12 1.618 -8.063 -3.596 1.00 0.00 C ATOM 165 CD1 PHE A 12 1.759 -7.730 -2.257 1.00 0.00 C ATOM 166 CD2 PHE A 12 2.706 -7.899 -4.439 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.959 -7.243 -1.774 1.00 0.00 C ATOM 168 CE2 PHE A 12 3.905 -7.413 -3.962 1.00 0.00 C ATOM 169 CZ PHE A 12 4.033 -7.085 -2.629 1.00 0.00 C ATOM 0 H PHE A 12 -1.908 -9.190 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.888 -6.813 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.168 -9.176 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.523 -9.286 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.923 -7.852 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.613 -8.155 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.057 -6.986 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.743 -7.289 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.972 -6.705 -2.253 1.00 0.00 H new ATOM 179 N LYS A 13 0.195 -7.419 -6.905 1.00 0.00 N ATOM 180 CA LYS A 13 0.750 -6.768 -8.089 1.00 0.00 C ATOM 181 C LYS A 13 -0.195 -5.726 -8.685 1.00 0.00 C ATOM 182 O LYS A 13 0.250 -4.681 -9.176 1.00 0.00 O ATOM 183 CB LYS A 13 1.160 -7.808 -9.141 1.00 0.00 C ATOM 184 CG LYS A 13 2.275 -8.744 -8.673 1.00 0.00 C ATOM 185 CD LYS A 13 3.556 -7.971 -8.370 1.00 0.00 C ATOM 186 CE LYS A 13 4.671 -8.884 -7.868 1.00 0.00 C ATOM 187 NZ LYS A 13 5.920 -8.125 -7.590 1.00 0.00 N ATOM 0 H LYS A 13 0.025 -8.419 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 13 1.642 -6.230 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.287 -8.403 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.486 -7.291 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.952 -9.281 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.472 -9.492 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.889 -7.454 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.349 -7.206 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.344 -9.392 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.872 -9.656 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.655 -8.778 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.245 -7.660 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.734 -7.405 -6.863 1.00 0.00 H new ATOM 201 N ALA A 14 -1.490 -6.005 -8.640 1.00 0.00 N ATOM 202 CA ALA A 14 -2.490 -5.092 -9.188 1.00 0.00 C ATOM 203 C ALA A 14 -2.424 -3.729 -8.502 1.00 0.00 C ATOM 204 O ALA A 14 -2.559 -2.685 -9.153 1.00 0.00 O ATOM 205 CB ALA A 14 -3.883 -5.689 -9.050 1.00 0.00 C ATOM 0 H ALA A 14 -1.876 -6.856 -8.230 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.273 -4.948 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.618 -4.998 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.929 -6.634 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.101 -5.864 -7.996 1.00 0.00 H new ATOM 211 N ALA A 15 -2.209 -3.743 -7.191 1.00 0.00 N ATOM 212 CA ALA A 15 -2.093 -2.516 -6.415 1.00 0.00 C ATOM 213 C ALA A 15 -0.829 -1.743 -6.790 1.00 0.00 C ATOM 214 O ALA A 15 -0.839 -0.512 -6.847 1.00 0.00 O ATOM 215 CB ALA A 15 -2.110 -2.823 -4.925 1.00 0.00 C ATOM 0 H ALA A 15 -2.111 -4.597 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.952 -1.888 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.022 -1.894 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.046 -3.318 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.274 -3.477 -4.679 1.00 0.00 H new ATOM 221 N THR A 16 0.253 -2.476 -7.062 1.00 0.00 N ATOM 222 CA THR A 16 1.538 -1.873 -7.417 1.00 0.00 C ATOM 223 C THR A 16 1.434 -1.073 -8.721 1.00 0.00 C ATOM 224 O THR A 16 2.013 0.007 -8.853 1.00 0.00 O ATOM 225 CB THR A 16 2.638 -2.945 -7.564 1.00 0.00 C ATOM 226 OG1 THR A 16 2.621 -3.815 -6.422 1.00 0.00 O ATOM 227 CG2 THR A 16 4.016 -2.295 -7.682 1.00 0.00 C ATOM 0 H THR A 16 0.263 -3.496 -7.043 1.00 0.00 H new ATOM 0 HA THR A 16 1.807 -1.197 -6.605 1.00 0.00 H new ATOM 0 HB THR A 16 2.441 -3.518 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.319 -4.496 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.776 -3.070 -7.785 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.038 -1.646 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.218 -1.705 -6.788 1.00 0.00 H new ATOM 235 N ASN A 17 0.683 -1.613 -9.668 1.00 0.00 N ATOM 236 CA ASN A 17 0.499 -0.995 -10.984 1.00 0.00 C ATOM 237 C ASN A 17 -0.080 0.425 -10.842 1.00 0.00 C ATOM 238 O ASN A 17 0.267 1.337 -11.601 1.00 0.00 O ATOM 239 CB ASN A 17 -0.441 -1.867 -11.824 1.00 0.00 C ATOM 240 CG ASN A 17 -0.629 -1.363 -13.239 1.00 0.00 C ATOM 241 OD1 ASN A 17 0.296 -0.835 -13.857 1.00 0.00 O ATOM 242 ND2 ASN A 17 -1.829 -1.525 -13.761 1.00 0.00 N ATOM 0 H ASN A 17 0.181 -2.493 -9.552 1.00 0.00 H new ATOM 0 HA ASN A 17 1.467 -0.918 -11.480 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.048 -2.883 -11.858 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.413 -1.918 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.019 -1.208 -14.712 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.568 -1.968 -13.214 1.00 0.00 H new ATOM 249 N LYS A 18 -0.955 0.594 -9.864 1.00 0.00 N ATOM 250 CA LYS A 18 -1.592 1.882 -9.587 1.00 0.00 C ATOM 251 C LYS A 18 -0.583 2.936 -9.097 1.00 0.00 C ATOM 252 O LYS A 18 -0.712 4.119 -9.416 1.00 0.00 O ATOM 253 CB LYS A 18 -2.740 1.729 -8.593 1.00 0.00 C ATOM 254 CG LYS A 18 -3.896 0.888 -9.110 1.00 0.00 C ATOM 255 CD LYS A 18 -4.541 1.526 -10.331 1.00 0.00 C ATOM 256 CE LYS A 18 -5.717 0.709 -10.830 1.00 0.00 C ATOM 257 NZ LYS A 18 -6.343 1.315 -12.034 1.00 0.00 N ATOM 0 H LYS A 18 -1.247 -0.155 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.002 2.240 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.357 1.278 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.113 2.719 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.537 -0.109 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.641 0.768 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.876 2.533 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.801 1.623 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.383 -0.302 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.461 0.623 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.143 0.726 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.685 2.270 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.640 1.374 -12.798 1.00 0.00 H new ATOM 271 N LEU A 19 0.420 2.493 -8.329 1.00 0.00 N ATOM 272 CA LEU A 19 1.418 3.401 -7.729 1.00 0.00 C ATOM 273 C LEU A 19 2.111 4.253 -8.785 1.00 0.00 C ATOM 274 O LEU A 19 2.323 5.452 -8.580 1.00 0.00 O ATOM 275 CB LEU A 19 2.483 2.600 -6.965 1.00 0.00 C ATOM 276 CG LEU A 19 2.027 1.907 -5.682 1.00 0.00 C ATOM 277 CD1 LEU A 19 3.103 0.952 -5.187 1.00 0.00 C ATOM 278 CD2 LEU A 19 1.712 2.938 -4.609 1.00 0.00 C ATOM 0 H LEU A 19 0.566 1.509 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 19 0.881 4.057 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.887 1.842 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.303 3.274 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 19 1.123 1.337 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.765 0.465 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.298 0.197 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.018 1.508 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.388 2.430 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.604 3.527 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.917 3.597 -4.959 1.00 0.00 H new ATOM 290 N PHE A 20 2.443 3.642 -9.915 1.00 0.00 N ATOM 291 CA PHE A 20 3.118 4.350 -11.000 1.00 0.00 C ATOM 292 C PHE A 20 2.251 5.493 -11.511 1.00 0.00 C ATOM 293 O PHE A 20 2.734 6.598 -11.755 1.00 0.00 O ATOM 294 CB PHE A 20 3.416 3.396 -12.163 1.00 0.00 C ATOM 295 CG PHE A 20 4.327 2.258 -11.812 1.00 0.00 C ATOM 296 CD1 PHE A 20 5.684 2.463 -11.646 1.00 0.00 C ATOM 297 CD2 PHE A 20 3.821 0.979 -11.651 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.522 1.414 -11.325 1.00 0.00 C ATOM 299 CE2 PHE A 20 4.651 -0.075 -11.331 1.00 0.00 C ATOM 300 CZ PHE A 20 6.004 0.142 -11.168 1.00 0.00 C ATOM 0 H PHE A 20 2.257 2.658 -10.106 1.00 0.00 H new ATOM 0 HA PHE A 20 4.054 4.748 -10.607 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.475 2.991 -12.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.863 3.965 -12.978 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.093 3.455 -11.769 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.763 0.805 -11.778 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.580 1.587 -11.197 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.243 -1.067 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.657 -0.681 -10.918 1.00 0.00 H new ATOM 310 N GLN A 21 0.967 5.216 -11.637 1.00 0.00 N ATOM 311 CA GLN A 21 0.006 6.165 -12.172 1.00 0.00 C ATOM 312 C GLN A 21 -0.210 7.390 -11.288 1.00 0.00 C ATOM 313 O GLN A 21 -0.587 8.449 -11.798 1.00 0.00 O ATOM 314 CB GLN A 21 -1.324 5.472 -12.462 1.00 0.00 C ATOM 315 CG GLN A 21 -1.284 4.560 -13.679 1.00 0.00 C ATOM 316 CD GLN A 21 -1.115 5.337 -14.974 1.00 0.00 C ATOM 317 OE1 GLN A 21 -2.097 5.750 -15.592 1.00 0.00 O ATOM 318 NE2 GLN A 21 0.121 5.547 -15.391 1.00 0.00 N ATOM 0 H GLN A 21 0.558 4.321 -11.370 1.00 0.00 H new ATOM 0 HA GLN A 21 0.436 6.538 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.617 4.887 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.094 6.229 -12.611 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.463 3.851 -13.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.204 3.977 -13.724 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.909 5.189 -14.851 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.287 6.067 -16.252 1.00 0.00 H new ATOM 327 N LEU A 22 0.018 7.289 -9.981 1.00 0.00 N ATOM 328 CA LEU A 22 -0.225 8.433 -9.115 1.00 0.00 C ATOM 329 C LEU A 22 1.100 8.973 -8.553 1.00 0.00 C ATOM 330 O LEU A 22 1.112 9.925 -7.765 1.00 0.00 O ATOM 331 CB LEU A 22 -1.200 8.056 -7.986 1.00 0.00 C ATOM 332 CG LEU A 22 -1.629 9.197 -7.053 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.258 10.335 -7.848 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.602 8.688 -6.004 1.00 0.00 C ATOM 0 H LEU A 22 0.361 6.451 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.686 9.226 -9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.095 7.626 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.739 7.274 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.740 9.578 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.555 11.133 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.534 10.721 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.135 9.966 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.896 9.510 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.486 8.281 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.124 7.908 -5.412 1.00 0.00 H new ATOM 346 N ASP A 23 2.210 8.335 -8.967 1.00 0.00 N ATOM 347 CA ASP A 23 3.576 8.752 -8.578 1.00 0.00 C ATOM 348 C ASP A 23 3.862 8.434 -7.105 1.00 0.00 C ATOM 349 O ASP A 23 4.537 9.200 -6.416 1.00 0.00 O ATOM 350 CB ASP A 23 3.786 10.265 -8.827 1.00 0.00 C ATOM 351 CG ASP A 23 3.737 10.655 -10.291 1.00 0.00 C ATOM 352 OD1 ASP A 23 2.624 10.905 -10.818 1.00 0.00 O ATOM 353 OD2 ASP A 23 4.808 10.728 -10.921 1.00 0.00 O ATOM 0 H ASP A 23 2.189 7.519 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 23 4.271 8.187 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.021 10.823 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.750 10.562 -8.413 1.00 0.00 H new ATOM 358 N LEU A 24 3.376 7.283 -6.637 1.00 0.00 N ATOM 359 CA LEU A 24 3.562 6.877 -5.239 1.00 0.00 C ATOM 360 C LEU A 24 4.418 5.611 -5.121 1.00 0.00 C ATOM 361 O LEU A 24 4.614 4.880 -6.096 1.00 0.00 O ATOM 362 CB LEU A 24 2.212 6.638 -4.560 1.00 0.00 C ATOM 363 CG LEU A 24 1.256 7.830 -4.510 1.00 0.00 C ATOM 364 CD1 LEU A 24 -0.049 7.425 -3.851 1.00 0.00 C ATOM 365 CD2 LEU A 24 1.886 9.000 -3.765 1.00 0.00 C ATOM 0 H LEU A 24 2.852 6.615 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 24 4.083 7.693 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.710 5.819 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.397 6.306 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 24 1.051 8.150 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.722 8.282 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.511 6.620 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.147 7.082 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.187 9.836 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.122 8.697 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.800 9.305 -4.274 1.00 0.00 H new ATOM 377 N ALA A 25 4.923 5.365 -3.915 1.00 0.00 N ATOM 378 CA ALA A 25 5.751 4.194 -3.638 1.00 0.00 C ATOM 379 C ALA A 25 5.525 3.690 -2.209 1.00 0.00 C ATOM 380 O ALA A 25 4.994 4.413 -1.366 1.00 0.00 O ATOM 381 CB ALA A 25 7.219 4.526 -3.861 1.00 0.00 C ATOM 0 H ALA A 25 4.771 5.968 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 25 5.463 3.398 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.827 3.646 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.369 4.833 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.514 5.337 -3.195 1.00 0.00 H new ATOM 387 N VAL A 26 5.936 2.449 -1.947 1.00 0.00 N ATOM 388 CA VAL A 26 5.778 1.824 -0.630 1.00 0.00 C ATOM 389 C VAL A 26 6.964 0.890 -0.352 1.00 0.00 C ATOM 390 O VAL A 26 7.422 0.183 -1.252 1.00 0.00 O ATOM 391 CB VAL A 26 4.433 1.020 -0.520 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.273 0.053 -1.685 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.346 0.263 0.812 1.00 0.00 C ATOM 0 H VAL A 26 6.387 1.849 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 26 5.750 2.621 0.113 1.00 0.00 H new ATOM 0 HB VAL A 26 3.618 1.743 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.333 -0.489 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.269 0.610 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.102 -0.655 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.404 -0.284 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.177 -0.438 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.395 0.973 1.638 1.00 0.00 H new ATOM 403 N ILE A 27 7.475 0.909 0.872 1.00 0.00 N ATOM 404 CA ILE A 27 8.573 0.025 1.253 1.00 0.00 C ATOM 405 C ILE A 27 8.231 -0.742 2.529 1.00 0.00 C ATOM 406 O ILE A 27 7.740 -0.168 3.499 1.00 0.00 O ATOM 407 CB ILE A 27 9.919 0.784 1.428 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.791 1.889 2.482 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.390 1.355 0.096 1.00 0.00 C ATOM 410 CD1 ILE A 27 11.099 2.580 2.809 1.00 0.00 C ATOM 0 H ILE A 27 7.149 1.524 1.617 1.00 0.00 H new ATOM 0 HA ILE A 27 8.705 -0.681 0.433 1.00 0.00 H new ATOM 0 HB ILE A 27 10.668 0.073 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.077 2.633 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.380 1.460 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.333 1.882 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.533 0.544 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.641 2.048 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.926 3.349 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.811 1.849 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.503 3.040 1.907 1.00 0.00 H new ATOM 422 N TYR A 28 8.451 -2.039 2.507 1.00 0.00 N ATOM 423 CA TYR A 28 8.140 -2.877 3.655 1.00 0.00 C ATOM 424 C TYR A 28 9.386 -3.277 4.447 1.00 0.00 C ATOM 425 O TYR A 28 10.463 -3.487 3.885 1.00 0.00 O ATOM 426 CB TYR A 28 7.353 -4.128 3.217 1.00 0.00 C ATOM 427 CG TYR A 28 8.052 -4.978 2.170 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.931 -5.991 2.538 1.00 0.00 C ATOM 429 CD2 TYR A 28 7.828 -4.769 0.814 1.00 0.00 C ATOM 430 CE1 TYR A 28 9.564 -6.766 1.588 1.00 0.00 C ATOM 431 CE2 TYR A 28 8.459 -5.541 -0.143 1.00 0.00 C ATOM 432 CZ TYR A 28 9.326 -6.539 0.251 1.00 0.00 C ATOM 433 OH TYR A 28 9.959 -7.313 -0.698 1.00 0.00 O ATOM 0 H TYR A 28 8.843 -2.540 1.710 1.00 0.00 H new ATOM 0 HA TYR A 28 7.518 -2.280 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.157 -4.744 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.386 -3.814 2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.121 -6.174 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.149 -3.989 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.244 -7.548 1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.275 -5.364 -1.192 1.00 0.00 H new ATOM 0 HH TYR A 28 9.682 -7.025 -1.593 1.00 0.00 H new ATOM 443 N ASP A 29 9.221 -3.337 5.762 1.00 0.00 N ATOM 444 CA ASP A 29 10.277 -3.760 6.688 1.00 0.00 C ATOM 445 C ASP A 29 10.385 -5.273 6.749 1.00 0.00 C ATOM 446 O ASP A 29 9.506 -5.993 6.259 1.00 0.00 O ATOM 447 CB ASP A 29 10.043 -3.203 8.092 1.00 0.00 C ATOM 448 CG ASP A 29 10.291 -1.714 8.184 1.00 0.00 C ATOM 449 OD1 ASP A 29 11.448 -1.319 8.414 1.00 0.00 O ATOM 450 OD2 ASP A 29 9.333 -0.935 8.053 1.00 0.00 O ATOM 0 H ASP A 29 8.346 -3.093 6.225 1.00 0.00 H new ATOM 0 HA ASP A 29 11.215 -3.358 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.018 -3.415 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.696 -3.719 8.796 1.00 0.00 H new ATOM 455 N ASP A 30 11.451 -5.758 7.371 1.00 0.00 N ATOM 456 CA ASP A 30 11.710 -7.190 7.460 1.00 0.00 C ATOM 457 C ASP A 30 11.933 -7.605 8.898 1.00 0.00 C ATOM 458 O ASP A 30 12.417 -6.821 9.709 1.00 0.00 O ATOM 459 CB ASP A 30 12.905 -7.611 6.601 1.00 0.00 C ATOM 460 CG ASP A 30 12.596 -7.606 5.120 1.00 0.00 C ATOM 461 OD1 ASP A 30 11.674 -8.345 4.703 1.00 0.00 O ATOM 462 OD2 ASP A 30 13.284 -6.891 4.362 1.00 0.00 O ATOM 0 H ASP A 30 12.156 -5.176 7.825 1.00 0.00 H new ATOM 0 HA ASP A 30 10.827 -7.699 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.740 -6.938 6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.225 -8.610 6.897 1.00 0.00 H new ATOM 627 N CYS A 40 6.339 -10.762 11.423 1.00 0.00 N ATOM 628 CA CYS A 40 5.726 -9.443 11.389 1.00 0.00 C ATOM 629 C CYS A 40 5.993 -8.747 10.051 1.00 0.00 C ATOM 630 O CYS A 40 6.950 -9.082 9.349 1.00 0.00 O ATOM 631 CB CYS A 40 6.252 -8.589 12.543 1.00 0.00 C ATOM 632 SG CYS A 40 5.984 -9.312 14.180 1.00 0.00 S ATOM 0 HA CYS A 40 4.648 -9.565 11.498 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.320 -8.424 12.401 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.771 -7.612 12.506 1.00 0.00 H new ATOM 0 HG CYS A 40 6.465 -8.517 15.089 1.00 0.00 H new ATOM 638 N ILE A 41 5.149 -7.771 9.722 1.00 0.00 N ATOM 639 CA ILE A 41 5.257 -7.020 8.470 1.00 0.00 C ATOM 640 C ILE A 41 4.851 -5.558 8.693 1.00 0.00 C ATOM 641 O ILE A 41 3.838 -5.282 9.338 1.00 0.00 O ATOM 642 CB ILE A 41 4.396 -7.640 7.320 1.00 0.00 C ATOM 643 CG1 ILE A 41 4.914 -9.042 6.954 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.398 -6.735 6.090 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.070 -9.763 5.924 1.00 0.00 C ATOM 0 H ILE A 41 4.372 -7.478 10.314 1.00 0.00 H new ATOM 0 HA ILE A 41 6.300 -7.072 8.158 1.00 0.00 H new ATOM 0 HB ILE A 41 3.370 -7.730 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.933 -8.954 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.961 -9.648 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.793 -7.187 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.983 -5.762 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.420 -6.608 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.502 -10.743 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.056 -9.885 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.043 -9.181 5.003 1.00 0.00 H new ATOM 657 N ARG A 42 5.647 -4.632 8.184 1.00 0.00 N ATOM 658 CA ARG A 42 5.345 -3.213 8.324 1.00 0.00 C ATOM 659 C ARG A 42 5.314 -2.525 6.965 1.00 0.00 C ATOM 660 O ARG A 42 6.139 -2.809 6.097 1.00 0.00 O ATOM 661 CB ARG A 42 6.365 -2.520 9.241 1.00 0.00 C ATOM 662 CG ARG A 42 6.194 -1.004 9.326 1.00 0.00 C ATOM 663 CD ARG A 42 7.238 -0.367 10.226 1.00 0.00 C ATOM 664 NE ARG A 42 7.076 -0.759 11.623 1.00 0.00 N ATOM 665 CZ ARG A 42 8.002 -0.584 12.561 1.00 0.00 C ATOM 666 NH1 ARG A 42 9.176 -0.039 12.252 1.00 0.00 N ATOM 667 NH2 ARG A 42 7.755 -0.950 13.808 1.00 0.00 N ATOM 0 H ARG A 42 6.505 -4.834 7.671 1.00 0.00 H new ATOM 0 HA ARG A 42 4.358 -3.131 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.283 -2.941 10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.370 -2.743 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.265 -0.574 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.198 -0.771 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.233 -0.652 9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.172 0.718 10.145 1.00 0.00 H new ATOM 0 HE ARG A 42 6.196 -1.195 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.369 0.247 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.883 0.093 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.855 -1.366 14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.464 -0.816 14.529 1.00 0.00 H new ATOM 681 N LEU A 43 4.363 -1.625 6.801 1.00 0.00 N ATOM 682 CA LEU A 43 4.225 -0.849 5.582 1.00 0.00 C ATOM 683 C LEU A 43 4.693 0.571 5.847 1.00 0.00 C ATOM 684 O LEU A 43 4.117 1.284 6.674 1.00 0.00 O ATOM 685 CB LEU A 43 2.766 -0.849 5.080 1.00 0.00 C ATOM 686 CG LEU A 43 2.333 -2.044 4.200 1.00 0.00 C ATOM 687 CD1 LEU A 43 2.530 -3.368 4.916 1.00 0.00 C ATOM 688 CD2 LEU A 43 0.881 -1.888 3.774 1.00 0.00 C ATOM 0 H LEU A 43 3.662 -1.411 7.511 1.00 0.00 H new ATOM 0 HA LEU A 43 4.838 -1.302 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.108 -0.810 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.601 0.068 4.514 1.00 0.00 H new ATOM 0 HG LEU A 43 2.967 -2.048 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.215 -4.184 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.583 -3.492 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.934 -3.380 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.590 -2.737 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.245 -1.849 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.766 -0.966 3.203 1.00 0.00 H new ATOM 700 N ARG A 44 5.749 0.962 5.179 1.00 0.00 N ATOM 701 CA ARG A 44 6.329 2.276 5.362 1.00 0.00 C ATOM 702 C ARG A 44 6.235 3.109 4.086 1.00 0.00 C ATOM 703 O ARG A 44 6.665 2.682 3.013 1.00 0.00 O ATOM 704 CB ARG A 44 7.782 2.108 5.813 1.00 0.00 C ATOM 705 CG ARG A 44 8.536 3.394 6.072 1.00 0.00 C ATOM 706 CD ARG A 44 9.897 3.095 6.675 1.00 0.00 C ATOM 707 NE ARG A 44 10.712 4.293 6.825 1.00 0.00 N ATOM 708 CZ ARG A 44 11.726 4.412 7.677 1.00 0.00 C ATOM 709 NH1 ARG A 44 12.005 3.438 8.539 1.00 0.00 N ATOM 710 NH2 ARG A 44 12.452 5.512 7.673 1.00 0.00 N ATOM 0 H ARG A 44 6.233 0.382 4.493 1.00 0.00 H new ATOM 0 HA ARG A 44 5.771 2.816 6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.795 1.510 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.317 1.540 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.657 3.946 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.963 4.030 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.765 2.624 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.422 2.378 6.043 1.00 0.00 H new ATOM 0 HE ARG A 44 10.490 5.096 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.439 2.590 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.785 3.540 9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.234 6.264 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.231 5.611 8.323 1.00 0.00 H new ATOM 724 N ILE A 45 5.648 4.289 4.209 1.00 0.00 N ATOM 725 CA ILE A 45 5.508 5.207 3.091 1.00 0.00 C ATOM 726 C ILE A 45 6.337 6.458 3.386 1.00 0.00 C ATOM 727 O ILE A 45 6.197 7.056 4.461 1.00 0.00 O ATOM 728 CB ILE A 45 4.027 5.644 2.883 1.00 0.00 C ATOM 729 CG1 ILE A 45 3.064 4.441 2.946 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.872 6.367 1.545 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.251 3.428 1.841 1.00 0.00 C ATOM 0 H ILE A 45 5.256 4.636 5.084 1.00 0.00 H new ATOM 0 HA ILE A 45 5.848 4.699 2.189 1.00 0.00 H new ATOM 0 HB ILE A 45 3.767 6.324 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.191 3.940 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.039 4.811 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.833 6.667 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.509 7.251 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.163 5.699 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.532 2.618 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.093 3.909 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.263 3.025 1.884 1.00 0.00 H new ATOM 743 N GLU A 46 7.173 6.868 2.453 1.00 0.00 N ATOM 744 CA GLU A 46 8.030 8.023 2.662 1.00 0.00 C ATOM 745 C GLU A 46 7.979 8.950 1.472 1.00 0.00 C ATOM 746 O GLU A 46 7.465 8.589 0.414 1.00 0.00 O ATOM 747 CB GLU A 46 9.475 7.616 2.949 1.00 0.00 C ATOM 748 CG GLU A 46 9.670 6.936 4.290 1.00 0.00 C ATOM 749 CD GLU A 46 11.109 6.570 4.551 1.00 0.00 C ATOM 750 OE1 GLU A 46 11.716 5.883 3.716 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.645 6.975 5.603 1.00 0.00 O ATOM 0 H GLU A 46 7.279 6.420 1.543 1.00 0.00 H new ATOM 0 HA GLU A 46 7.651 8.549 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.816 6.945 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.106 8.504 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.317 7.596 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.057 6.035 4.329 1.00 0.00 H new ATOM 758 N ASP A 47 8.501 10.144 1.654 1.00 0.00 N ATOM 759 CA ASP A 47 8.493 11.151 0.616 1.00 0.00 C ATOM 760 C ASP A 47 9.856 11.282 -0.055 1.00 0.00 C ATOM 761 O ASP A 47 10.909 11.094 0.566 1.00 0.00 O ATOM 762 CB ASP A 47 8.002 12.487 1.179 1.00 0.00 C ATOM 763 CG ASP A 47 8.226 13.666 0.263 1.00 0.00 C ATOM 764 OD1 ASP A 47 7.367 13.920 -0.614 1.00 0.00 O ATOM 765 OD2 ASP A 47 9.246 14.350 0.428 1.00 0.00 O ATOM 0 H ASP A 47 8.942 10.443 2.524 1.00 0.00 H new ATOM 0 HA ASP A 47 7.797 10.835 -0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.937 12.407 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.507 12.676 2.126 1.00 0.00 H new ATOM 770 N ARG A 48 9.803 11.605 -1.319 1.00 0.00 N ATOM 771 CA ARG A 48 10.962 11.718 -2.195 1.00 0.00 C ATOM 772 C ARG A 48 11.824 12.960 -1.914 1.00 0.00 C ATOM 773 O ARG A 48 12.695 13.297 -2.712 1.00 0.00 O ATOM 774 CB ARG A 48 10.475 11.727 -3.634 1.00 0.00 C ATOM 775 CG ARG A 48 9.623 12.935 -3.980 1.00 0.00 C ATOM 776 CD ARG A 48 8.605 12.586 -5.038 1.00 0.00 C ATOM 777 NE ARG A 48 7.864 13.755 -5.507 1.00 0.00 N ATOM 778 CZ ARG A 48 6.887 13.718 -6.423 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.528 12.561 -6.980 1.00 0.00 N ATOM 780 NH2 ARG A 48 6.272 14.838 -6.775 1.00 0.00 N ATOM 0 H ARG A 48 8.924 11.806 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 48 11.608 10.861 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.337 11.698 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.898 10.821 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.116 13.296 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.260 13.746 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.109 12.116 -5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.905 11.853 -4.637 1.00 0.00 H new ATOM 0 HE ARG A 48 8.108 14.662 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.998 11.697 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.783 12.540 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.543 15.724 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.528 14.814 -7.472 1.00 0.00 H new ATOM 794 N SER A 49 11.599 13.631 -0.797 1.00 0.00 N ATOM 795 CA SER A 49 12.362 14.812 -0.453 1.00 0.00 C ATOM 796 C SER A 49 12.837 14.691 1.007 1.00 0.00 C ATOM 797 O SER A 49 13.202 15.670 1.653 1.00 0.00 O ATOM 798 CB SER A 49 11.498 16.070 -0.656 1.00 0.00 C ATOM 799 OG SER A 49 12.265 17.262 -0.531 1.00 0.00 O ATOM 0 H SER A 49 10.889 13.374 -0.111 1.00 0.00 H new ATOM 0 HA SER A 49 13.235 14.899 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.034 16.038 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.690 16.079 0.076 1.00 0.00 H new ATOM 0 HG SER A 49 12.769 17.240 0.309 1.00 0.00 H new ATOM 805 N GLY A 50 12.834 13.456 1.504 1.00 0.00 N ATOM 806 CA GLY A 50 13.261 13.188 2.870 1.00 0.00 C ATOM 807 C GLY A 50 12.102 13.043 3.841 1.00 0.00 C ATOM 808 O GLY A 50 12.209 12.330 4.843 1.00 0.00 O ATOM 0 H GLY A 50 12.541 12.630 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.856 12.275 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.910 13.997 3.206 1.00 0.00 H new ATOM 812 N ASN A 51 11.003 13.736 3.555 1.00 0.00 N ATOM 813 CA ASN A 51 9.794 13.680 4.395 1.00 0.00 C ATOM 814 C ASN A 51 9.222 12.259 4.506 1.00 0.00 C ATOM 815 O ASN A 51 9.665 11.335 3.826 1.00 0.00 O ATOM 816 CB ASN A 51 8.717 14.635 3.861 1.00 0.00 C ATOM 817 CG ASN A 51 8.945 16.097 4.235 1.00 0.00 C ATOM 818 OD1 ASN A 51 7.993 16.872 4.327 1.00 0.00 O ATOM 819 ND2 ASN A 51 10.189 16.482 4.457 1.00 0.00 N ATOM 0 H ASN A 51 10.918 14.349 2.744 1.00 0.00 H new ATOM 0 HA ASN A 51 10.094 13.994 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.677 14.550 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.745 14.320 4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.385 17.449 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.953 15.812 4.371 1.00 0.00 H new ATOM 826 N LEU A 52 8.226 12.105 5.360 1.00 0.00 N ATOM 827 CA LEU A 52 7.599 10.812 5.590 1.00 0.00 C ATOM 828 C LEU A 52 6.089 10.951 5.403 1.00 0.00 C ATOM 829 O LEU A 52 5.519 11.997 5.729 1.00 0.00 O ATOM 830 CB LEU A 52 7.961 10.296 7.001 1.00 0.00 C ATOM 831 CG LEU A 52 7.609 8.830 7.315 1.00 0.00 C ATOM 832 CD1 LEU A 52 8.569 8.272 8.354 1.00 0.00 C ATOM 833 CD2 LEU A 52 6.180 8.712 7.825 1.00 0.00 C ATOM 0 H LEU A 52 7.830 12.866 5.911 1.00 0.00 H new ATOM 0 HA LEU A 52 7.966 10.079 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.033 10.426 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.461 10.930 7.733 1.00 0.00 H new ATOM 0 HG LEU A 52 7.699 8.256 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.311 7.235 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.588 8.320 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.497 8.860 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.955 7.667 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.069 9.302 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.491 9.083 7.066 1.00 0.00 H new ATOM 845 N ILE A 53 5.444 9.920 4.868 1.00 0.00 N ATOM 846 CA ILE A 53 4.014 10.003 4.585 1.00 0.00 C ATOM 847 C ILE A 53 3.191 9.304 5.668 1.00 0.00 C ATOM 848 O ILE A 53 2.377 9.939 6.340 1.00 0.00 O ATOM 849 CB ILE A 53 3.663 9.406 3.198 1.00 0.00 C ATOM 850 CG1 ILE A 53 4.455 10.112 2.081 1.00 0.00 C ATOM 851 CG2 ILE A 53 2.157 9.504 2.929 1.00 0.00 C ATOM 852 CD1 ILE A 53 4.182 11.601 1.965 1.00 0.00 C ATOM 0 H ILE A 53 5.879 9.030 4.624 1.00 0.00 H new ATOM 0 HA ILE A 53 3.761 11.063 4.576 1.00 0.00 H new ATOM 0 HB ILE A 53 3.944 8.353 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.520 9.963 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.220 9.636 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.934 9.079 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.614 8.953 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.851 10.550 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.780 12.019 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.124 11.762 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.445 12.093 2.901 1.00 0.00 H new ATOM 864 N ASP A 54 3.404 8.000 5.838 1.00 0.00 N ATOM 865 CA ASP A 54 2.662 7.231 6.840 1.00 0.00 C ATOM 866 C ASP A 54 3.341 5.887 7.085 1.00 0.00 C ATOM 867 O ASP A 54 4.228 5.487 6.326 1.00 0.00 O ATOM 868 CB ASP A 54 1.208 7.016 6.382 1.00 0.00 C ATOM 869 CG ASP A 54 0.279 6.668 7.529 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.178 7.599 8.226 1.00 0.00 O ATOM 871 OD2 ASP A 54 -0.001 5.480 7.742 1.00 0.00 O ATOM 0 H ASP A 54 4.079 7.456 5.300 1.00 0.00 H new ATOM 0 HA ASP A 54 2.654 7.794 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.849 7.920 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.179 6.217 5.641 1.00 0.00 H new ATOM 876 N THR A 55 2.940 5.202 8.142 1.00 0.00 N ATOM 877 CA THR A 55 3.499 3.907 8.468 1.00 0.00 C ATOM 878 C THR A 55 2.475 3.062 9.243 1.00 0.00 C ATOM 879 O THR A 55 1.654 3.604 9.990 1.00 0.00 O ATOM 880 CB THR A 55 4.823 4.042 9.275 1.00 0.00 C ATOM 881 OG1 THR A 55 5.438 2.758 9.440 1.00 0.00 O ATOM 882 CG2 THR A 55 4.583 4.673 10.641 1.00 0.00 C ATOM 0 H THR A 55 2.224 5.527 8.792 1.00 0.00 H new ATOM 0 HA THR A 55 3.736 3.401 7.532 1.00 0.00 H new ATOM 0 HB THR A 55 5.488 4.695 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.270 2.857 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.529 4.752 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.155 5.667 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.893 4.052 11.212 1.00 0.00 H new ATOM 890 N SER A 56 2.514 1.750 9.052 1.00 0.00 N ATOM 891 CA SER A 56 1.607 0.848 9.750 1.00 0.00 C ATOM 892 C SER A 56 2.271 -0.517 9.950 1.00 0.00 C ATOM 893 O SER A 56 3.009 -0.984 9.082 1.00 0.00 O ATOM 894 CB SER A 56 0.305 0.695 8.955 1.00 0.00 C ATOM 895 OG SER A 56 -0.675 -0.010 9.699 1.00 0.00 O ATOM 0 H SER A 56 3.165 1.286 8.419 1.00 0.00 H new ATOM 0 HA SER A 56 1.374 1.268 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.078 1.680 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.506 0.167 8.023 1.00 0.00 H new ATOM 0 HG SER A 56 -0.960 -0.802 9.197 1.00 0.00 H new ATOM 901 N THR A 57 2.018 -1.146 11.090 1.00 0.00 N ATOM 902 CA THR A 57 2.599 -2.448 11.387 1.00 0.00 C ATOM 903 C THR A 57 1.506 -3.492 11.651 1.00 0.00 C ATOM 904 O THR A 57 0.572 -3.246 12.417 1.00 0.00 O ATOM 905 CB THR A 57 3.536 -2.368 12.616 1.00 0.00 C ATOM 906 OG1 THR A 57 4.526 -1.350 12.401 1.00 0.00 O ATOM 907 CG2 THR A 57 4.235 -3.703 12.854 1.00 0.00 C ATOM 0 H THR A 57 1.414 -0.776 11.824 1.00 0.00 H new ATOM 0 HA THR A 57 3.178 -2.752 10.515 1.00 0.00 H new ATOM 0 HB THR A 57 2.934 -2.126 13.492 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.904 -1.074 13.262 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.888 -3.622 13.723 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.489 -4.478 13.032 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.828 -3.965 11.978 1.00 0.00 H new ATOM 915 N PHE A 58 1.620 -4.647 11.006 1.00 0.00 N ATOM 916 CA PHE A 58 0.655 -5.723 11.187 1.00 0.00 C ATOM 917 C PHE A 58 1.369 -7.019 11.563 1.00 0.00 C ATOM 918 O PHE A 58 2.429 -7.336 11.014 1.00 0.00 O ATOM 919 CB PHE A 58 -0.164 -5.947 9.905 1.00 0.00 C ATOM 920 CG PHE A 58 -0.981 -4.760 9.466 1.00 0.00 C ATOM 921 CD1 PHE A 58 -2.181 -4.457 10.092 1.00 0.00 C ATOM 922 CD2 PHE A 58 -0.550 -3.953 8.423 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.936 -3.372 9.685 1.00 0.00 C ATOM 924 CE2 PHE A 58 -1.302 -2.869 8.010 1.00 0.00 C ATOM 925 CZ PHE A 58 -2.496 -2.577 8.643 1.00 0.00 C ATOM 0 H PHE A 58 2.373 -4.862 10.352 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.021 -5.434 11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.516 -6.221 9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.832 -6.794 10.060 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.530 -5.075 10.906 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.384 -4.174 7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.868 -3.146 10.181 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.957 -2.251 7.194 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.084 -1.729 8.324 1.00 0.00 H new ATOM 935 N TYR A 59 0.808 -7.748 12.515 1.00 0.00 N ATOM 936 CA TYR A 59 1.354 -9.037 12.897 1.00 0.00 C ATOM 937 C TYR A 59 0.242 -9.995 13.306 1.00 0.00 C ATOM 938 O TYR A 59 -0.603 -9.668 14.140 1.00 0.00 O ATOM 939 CB TYR A 59 2.420 -8.907 14.008 1.00 0.00 C ATOM 940 CG TYR A 59 1.922 -8.347 15.327 1.00 0.00 C ATOM 941 CD1 TYR A 59 1.908 -6.978 15.567 1.00 0.00 C ATOM 942 CD2 TYR A 59 1.482 -9.194 16.339 1.00 0.00 C ATOM 943 CE1 TYR A 59 1.465 -6.472 16.776 1.00 0.00 C ATOM 944 CE2 TYR A 59 1.042 -8.696 17.544 1.00 0.00 C ATOM 945 CZ TYR A 59 1.035 -7.336 17.758 1.00 0.00 C ATOM 946 OH TYR A 59 0.604 -6.840 18.964 1.00 0.00 O ATOM 0 H TYR A 59 -0.023 -7.468 13.035 1.00 0.00 H new ATOM 0 HA TYR A 59 1.856 -9.452 12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.851 -9.891 14.191 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.225 -8.269 13.643 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.248 -6.299 14.799 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.486 -10.262 16.176 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.457 -5.406 16.948 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.704 -9.369 18.318 1.00 0.00 H new ATOM 0 HH TYR A 59 0.334 -7.582 19.545 1.00 0.00 H new ATOM 956 N HIS A 60 0.235 -11.156 12.688 1.00 0.00 N ATOM 957 CA HIS A 60 -0.740 -12.202 12.967 1.00 0.00 C ATOM 958 C HIS A 60 -0.313 -13.441 12.210 1.00 0.00 C ATOM 959 O HIS A 60 0.043 -13.347 11.039 1.00 0.00 O ATOM 960 CB HIS A 60 -2.155 -11.767 12.517 1.00 0.00 C ATOM 961 CG HIS A 60 -3.256 -12.686 12.967 1.00 0.00 C ATOM 962 ND1 HIS A 60 -4.017 -12.460 14.094 1.00 0.00 N ATOM 963 CD2 HIS A 60 -3.724 -13.837 12.432 1.00 0.00 C ATOM 964 CE1 HIS A 60 -4.899 -13.430 14.232 1.00 0.00 C ATOM 965 NE2 HIS A 60 -4.743 -14.280 13.235 1.00 0.00 N ATOM 0 H HIS A 60 0.912 -11.409 11.968 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.780 -12.399 14.038 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.354 -10.766 12.900 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.174 -11.702 11.429 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.361 -14.319 11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.626 -13.515 15.026 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.291 -15.128 13.086 1.00 0.00 H new ATOM 973 N HIS A 61 -0.334 -14.597 12.845 1.00 0.00 N ATOM 974 CA HIS A 61 0.114 -15.786 12.147 1.00 0.00 C ATOM 975 C HIS A 61 -1.039 -16.434 11.381 1.00 0.00 C ATOM 976 O HIS A 61 -1.644 -17.404 11.832 1.00 0.00 O ATOM 977 CB HIS A 61 0.742 -16.782 13.145 1.00 0.00 C ATOM 978 CG HIS A 61 1.299 -18.033 12.520 1.00 0.00 C ATOM 979 ND1 HIS A 61 0.691 -19.267 12.625 1.00 0.00 N ATOM 980 CD2 HIS A 61 2.423 -18.234 11.791 1.00 0.00 C ATOM 981 CE1 HIS A 61 1.412 -20.169 11.989 1.00 0.00 C ATOM 982 NE2 HIS A 61 2.468 -19.569 11.474 1.00 0.00 N ATOM 0 H HIS A 61 -0.644 -14.738 13.807 1.00 0.00 H new ATOM 0 HA HIS A 61 0.874 -15.498 11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.541 -16.277 13.687 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.013 -17.064 13.879 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.148 -17.484 11.511 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.178 -21.220 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.200 -20.024 10.928 1.00 0.00 H new ATOM 990 N ASP A 62 -1.366 -15.837 10.247 1.00 0.00 N ATOM 991 CA ASP A 62 -2.321 -16.395 9.296 1.00 0.00 C ATOM 992 C ASP A 62 -1.897 -15.999 7.901 1.00 0.00 C ATOM 993 O ASP A 62 -1.943 -14.822 7.565 1.00 0.00 O ATOM 994 CB ASP A 62 -3.751 -15.935 9.564 1.00 0.00 C ATOM 995 CG ASP A 62 -4.762 -16.758 8.779 1.00 0.00 C ATOM 996 OD1 ASP A 62 -5.017 -16.442 7.604 1.00 0.00 O ATOM 997 OD2 ASP A 62 -5.299 -17.735 9.343 1.00 0.00 O ATOM 0 H ASP A 62 -0.973 -14.942 9.955 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.319 -17.479 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.965 -16.015 10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.851 -14.883 9.296 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.478 -16.948 7.103 1.00 0.00 N ATOM 1003 CA GLU A 63 -0.993 -16.649 5.756 1.00 0.00 C ATOM 1004 C GLU A 63 -2.062 -15.962 4.888 1.00 0.00 C ATOM 1005 O GLU A 63 -1.780 -14.975 4.205 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.553 -17.925 5.067 1.00 0.00 C ATOM 1007 CG GLU A 63 0.627 -18.630 5.717 1.00 0.00 C ATOM 1008 CD GLU A 63 0.960 -19.933 5.022 1.00 0.00 C ATOM 1009 OE1 GLU A 63 0.020 -20.703 4.708 1.00 0.00 O ATOM 1010 OE2 GLU A 63 2.155 -20.203 4.785 1.00 0.00 O ATOM 0 H GLU A 63 -1.458 -17.937 7.351 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.153 -15.964 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.397 -18.614 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.294 -17.692 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.498 -17.975 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.400 -18.825 6.765 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.279 -16.481 4.937 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.371 -15.994 4.085 1.00 0.00 C ATOM 1019 C ASP A 64 -4.822 -14.594 4.476 1.00 0.00 C ATOM 1020 O ASP A 64 -4.839 -13.674 3.649 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.567 -16.946 4.180 1.00 0.00 C ATOM 1022 CG ASP A 64 -5.277 -18.320 3.628 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -4.647 -19.138 4.342 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -5.674 -18.599 2.476 1.00 0.00 O ATOM 0 H ASP A 64 -3.544 -17.244 5.559 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.992 -15.956 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.869 -17.037 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.410 -16.515 3.640 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.188 -14.448 5.729 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.678 -13.181 6.262 1.00 0.00 C ATOM 1031 C VAL A 65 -4.630 -12.068 6.172 1.00 0.00 C ATOM 1032 O VAL A 65 -4.962 -10.922 5.842 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.163 -13.331 7.732 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -6.629 -11.998 8.300 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.283 -14.353 7.819 1.00 0.00 C ATOM 0 H VAL A 65 -5.157 -15.202 6.415 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.525 -12.896 5.638 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.318 -13.677 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.962 -12.137 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.805 -11.285 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.455 -11.616 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.611 -14.446 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.120 -14.029 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.923 -15.319 7.464 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.371 -12.413 6.438 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.298 -11.419 6.528 1.00 0.00 C ATOM 1047 C LEU A 66 -2.194 -10.564 5.245 1.00 0.00 C ATOM 1048 O LEU A 66 -2.289 -9.333 5.312 1.00 0.00 O ATOM 1049 CB LEU A 66 -0.954 -12.131 6.797 1.00 0.00 C ATOM 1050 CG LEU A 66 0.112 -11.332 7.583 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.593 -10.129 6.801 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.431 -10.900 8.939 1.00 0.00 C ATOM 0 H LEU A 66 -3.067 -13.374 6.595 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.534 -10.746 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.160 -13.051 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.524 -12.419 5.838 1.00 0.00 H new ATOM 0 HG LEU A 66 0.966 -11.991 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.341 -9.592 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.034 -10.459 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.249 -9.469 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.334 -10.340 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.309 -10.270 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.708 -11.781 9.518 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.015 -11.204 4.088 1.00 0.00 N ATOM 1065 CA PHE A 67 -1.911 -10.463 2.821 1.00 0.00 C ATOM 1066 C PHE A 67 -3.182 -9.689 2.476 1.00 0.00 C ATOM 1067 O PHE A 67 -3.102 -8.567 1.974 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.486 -11.375 1.655 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.073 -11.867 1.777 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.987 -11.065 1.374 1.00 0.00 C ATOM 1071 CD2 PHE A 67 0.200 -13.120 2.299 1.00 0.00 C ATOM 1072 CE1 PHE A 67 2.289 -11.506 1.489 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.502 -13.567 2.417 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.549 -12.759 2.012 1.00 0.00 C ATOM 0 H PHE A 67 -1.940 -12.217 3.997 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.125 -9.724 2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.159 -12.231 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.595 -10.830 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.790 -10.085 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.614 -13.755 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.104 -10.873 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.702 -14.547 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.567 -13.106 2.104 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.348 -10.269 2.755 1.00 0.00 N ATOM 1085 CA ASN A 68 -5.618 -9.602 2.435 1.00 0.00 C ATOM 1086 C ASN A 68 -5.730 -8.259 3.179 1.00 0.00 C ATOM 1087 O ASN A 68 -6.062 -7.234 2.586 1.00 0.00 O ATOM 1088 CB ASN A 68 -6.806 -10.519 2.785 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.155 -9.912 2.423 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.592 -9.997 1.277 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -8.838 -9.337 3.399 1.00 0.00 N ATOM 0 H ASN A 68 -4.445 -11.184 3.195 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.642 -9.398 1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.690 -11.469 2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.787 -10.737 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.761 -8.945 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.442 -9.286 4.337 1.00 0.00 H new ATOM 1098 N MET A 69 -5.431 -8.284 4.476 1.00 0.00 N ATOM 1099 CA MET A 69 -5.426 -7.047 5.285 1.00 0.00 C ATOM 1100 C MET A 69 -4.423 -6.024 4.749 1.00 0.00 C ATOM 1101 O MET A 69 -4.728 -4.827 4.660 1.00 0.00 O ATOM 1102 CB MET A 69 -5.089 -7.336 6.753 1.00 0.00 C ATOM 1103 CG MET A 69 -6.072 -8.236 7.471 1.00 0.00 C ATOM 1104 SD MET A 69 -5.681 -8.406 9.228 1.00 0.00 S ATOM 1105 CE MET A 69 -4.082 -9.214 9.149 1.00 0.00 C ATOM 0 H MET A 69 -5.191 -9.130 4.992 1.00 0.00 H new ATOM 0 HA MET A 69 -6.433 -6.635 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.100 -7.793 6.800 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.028 -6.389 7.289 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.079 -7.833 7.362 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.070 -9.220 7.003 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.911 -9.773 10.069 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.061 -9.898 8.300 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.301 -8.464 9.029 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.246 -6.502 4.369 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.166 -5.632 3.902 1.00 0.00 C ATOM 1117 C CYS A 70 -2.502 -4.939 2.574 1.00 0.00 C ATOM 1118 O CYS A 70 -2.284 -3.738 2.426 1.00 0.00 O ATOM 1119 CB CYS A 70 -0.870 -6.424 3.765 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.267 -7.102 5.322 1.00 0.00 S ATOM 0 H CYS A 70 -3.010 -7.494 4.374 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.040 -4.851 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.026 -7.240 3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.103 -5.777 3.339 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.069 -8.042 5.726 1.00 0.00 H new ATOM 1126 N THR A 71 -3.046 -5.687 1.624 1.00 0.00 N ATOM 1127 CA THR A 71 -3.360 -5.125 0.318 1.00 0.00 C ATOM 1128 C THR A 71 -4.586 -4.210 0.376 1.00 0.00 C ATOM 1129 O THR A 71 -4.695 -3.257 -0.398 1.00 0.00 O ATOM 1130 CB THR A 71 -3.565 -6.223 -0.766 1.00 0.00 C ATOM 1131 OG1 THR A 71 -3.771 -5.614 -2.048 1.00 0.00 O ATOM 1132 CG2 THR A 71 -4.756 -7.120 -0.437 1.00 0.00 C ATOM 0 H THR A 71 -3.277 -6.675 1.731 1.00 0.00 H new ATOM 0 HA THR A 71 -2.494 -4.529 0.030 1.00 0.00 H new ATOM 0 HB THR A 71 -2.666 -6.839 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.898 -6.311 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.869 -7.875 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.588 -7.610 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.662 -6.516 -0.383 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.493 -4.499 1.301 1.00 0.00 N ATOM 1141 CA ASP A 72 -6.734 -3.742 1.432 1.00 0.00 C ATOM 1142 C ASP A 72 -6.494 -2.260 1.764 1.00 0.00 C ATOM 1143 O ASP A 72 -7.013 -1.378 1.080 1.00 0.00 O ATOM 1144 CB ASP A 72 -7.630 -4.386 2.490 1.00 0.00 C ATOM 1145 CG ASP A 72 -8.886 -3.590 2.756 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -9.806 -3.631 1.915 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -8.955 -2.924 3.816 1.00 0.00 O ATOM 0 H ASP A 72 -5.392 -5.257 1.976 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.232 -3.770 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.903 -5.390 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.069 -4.493 3.419 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.704 -1.994 2.807 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.401 -0.624 3.263 1.00 0.00 C ATOM 1154 C TRP A 73 -4.771 0.255 2.163 1.00 0.00 C ATOM 1155 O TRP A 73 -4.999 1.463 2.119 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.483 -0.699 4.497 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.161 0.624 5.125 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.978 1.376 5.919 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.919 1.332 5.041 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -4.326 2.518 6.316 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -3.061 2.514 5.792 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.702 1.085 4.396 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -2.034 3.444 5.919 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.684 2.007 4.523 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.855 3.174 5.279 1.00 0.00 C ATOM 0 H TRP A 73 -5.253 -2.720 3.364 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.344 -0.143 3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.956 -1.335 5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.551 -1.185 4.209 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.988 1.112 6.195 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.720 3.251 6.906 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.562 0.189 3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -2.162 4.345 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.261 1.826 4.031 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.038 3.876 5.358 1.00 0.00 H new ATOM 1176 N LEU A 74 -4.020 -0.360 1.275 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.297 0.375 0.229 1.00 0.00 C ATOM 1178 C LEU A 74 -4.266 1.119 -0.704 1.00 0.00 C ATOM 1179 O LEU A 74 -4.007 2.246 -1.124 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.411 -0.577 -0.581 1.00 0.00 C ATOM 1181 CG LEU A 74 -1.212 -1.172 0.165 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.546 -2.251 -0.676 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -0.210 -0.082 0.518 1.00 0.00 C ATOM 0 H LEU A 74 -3.886 -1.371 1.247 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.665 1.115 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.030 -1.396 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.041 -0.042 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.571 -1.624 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.304 -2.664 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.264 -3.045 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.200 -1.819 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.635 -0.522 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.143 0.397 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.690 0.661 1.155 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.383 0.482 -0.993 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.382 1.011 -1.918 1.00 0.00 C ATOM 1197 C ASN A 75 -7.029 2.314 -1.425 1.00 0.00 C ATOM 1198 O ASN A 75 -7.290 3.220 -2.219 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.472 -0.034 -2.196 1.00 0.00 C ATOM 1200 CG ASN A 75 -6.979 -1.193 -3.050 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -6.089 -1.032 -3.880 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -7.556 -2.368 -2.853 1.00 0.00 N ATOM 0 H ASN A 75 -5.631 -0.423 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.849 1.243 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.847 -0.421 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.311 0.448 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.264 -3.178 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.293 -2.464 -2.154 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.264 2.412 -0.117 1.00 0.00 N ATOM 1210 CA HIS A 76 -8.009 3.549 0.458 1.00 0.00 C ATOM 1211 C HIS A 76 -7.322 4.912 0.232 1.00 0.00 C ATOM 1212 O HIS A 76 -7.996 5.934 0.109 1.00 0.00 O ATOM 1213 CB HIS A 76 -8.301 3.321 1.973 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.409 4.086 2.933 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -7.757 5.309 3.469 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.191 3.794 3.445 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -6.796 5.734 4.261 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -5.834 4.834 4.265 1.00 0.00 N ATOM 0 H HIS A 76 -6.953 1.724 0.569 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.955 3.590 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.337 3.595 2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -8.207 2.256 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.608 2.907 3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.796 6.662 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.964 4.900 4.793 1.00 0.00 H new ATOM 1226 N MET A 77 -5.999 4.930 0.186 1.00 0.00 N ATOM 1227 CA MET A 77 -5.281 6.198 0.066 1.00 0.00 C ATOM 1228 C MET A 77 -5.316 6.772 -1.353 1.00 0.00 C ATOM 1229 O MET A 77 -5.140 7.976 -1.534 1.00 0.00 O ATOM 1230 CB MET A 77 -3.831 6.094 0.579 1.00 0.00 C ATOM 1231 CG MET A 77 -2.926 5.169 -0.220 1.00 0.00 C ATOM 1232 SD MET A 77 -1.200 5.271 0.304 1.00 0.00 S ATOM 1233 CE MET A 77 -1.318 4.702 2.002 1.00 0.00 C ATOM 0 H MET A 77 -5.406 4.101 0.229 1.00 0.00 H new ATOM 0 HA MET A 77 -5.815 6.899 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.392 7.092 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.852 5.751 1.613 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.275 4.142 -0.113 1.00 0.00 H new ATOM 0 HG3 MET A 77 -2.997 5.421 -1.278 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.323 4.456 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.751 5.488 2.620 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.951 3.816 2.046 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.549 5.920 -2.352 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.524 6.379 -3.748 1.00 0.00 C ATOM 1245 C TYR A 78 -6.547 7.477 -4.062 1.00 0.00 C ATOM 1246 O TYR A 78 -6.171 8.567 -4.480 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.726 5.215 -4.717 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.505 4.359 -4.916 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.447 4.810 -5.690 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -4.409 3.105 -4.344 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.327 4.036 -5.887 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -3.292 2.316 -4.535 1.00 0.00 C ATOM 1253 CZ TYR A 78 -2.254 2.787 -5.307 1.00 0.00 C ATOM 1254 OH TYR A 78 -1.142 2.006 -5.507 1.00 0.00 O ATOM 0 H TYR A 78 -5.753 4.928 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.533 6.813 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.539 4.589 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.039 5.611 -5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.503 5.787 -6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.222 2.735 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.511 4.404 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.233 1.337 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.416 1.074 -5.639 1.00 0.00 H new ATOM 1264 N ASP A 79 -7.825 7.198 -3.837 1.00 0.00 N ATOM 1265 CA ASP A 79 -8.896 8.136 -4.232 1.00 0.00 C ATOM 1266 C ASP A 79 -8.850 9.446 -3.445 1.00 0.00 C ATOM 1267 O ASP A 79 -8.988 10.530 -4.016 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.268 7.479 -4.088 1.00 0.00 C ATOM 1269 CG ASP A 79 -11.383 8.332 -4.662 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -11.456 8.471 -5.906 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.208 8.843 -3.883 1.00 0.00 O ATOM 0 H ASP A 79 -8.154 6.343 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.725 8.385 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.259 6.512 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.467 7.288 -3.033 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.673 9.329 -2.139 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.601 10.493 -1.249 1.00 0.00 C ATOM 1278 C GLN A 80 -7.625 11.570 -1.736 1.00 0.00 C ATOM 1279 O GLN A 80 -7.918 12.765 -1.625 1.00 0.00 O ATOM 1280 CB GLN A 80 -8.260 10.065 0.178 1.00 0.00 C ATOM 1281 CG GLN A 80 -9.357 9.249 0.840 1.00 0.00 C ATOM 1282 CD GLN A 80 -10.654 10.029 0.978 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -10.648 11.250 1.162 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -11.768 9.336 0.883 1.00 0.00 N ATOM 0 H GLN A 80 -8.575 8.433 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.592 10.946 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.340 9.480 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.064 10.953 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.539 8.347 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.022 8.928 1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.730 8.328 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.670 9.807 0.962 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.480 11.166 -2.275 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.516 12.142 -2.773 1.00 0.00 C ATOM 1295 C LEU A 81 -6.093 12.945 -3.945 1.00 0.00 C ATOM 1296 O LEU A 81 -5.984 14.161 -3.976 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.210 11.459 -3.172 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.403 10.859 -2.013 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.212 10.082 -2.537 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -2.942 11.951 -1.052 1.00 0.00 C ATOM 0 H LEU A 81 -6.200 10.191 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.302 12.841 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.437 10.666 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.584 12.184 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.052 10.173 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.653 9.665 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.559 9.274 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.566 10.748 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.372 11.503 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.313 12.664 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.811 12.468 -0.645 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.715 12.252 -4.902 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.386 12.930 -6.028 1.00 0.00 C ATOM 1314 C LYS A 82 -8.466 13.886 -5.532 1.00 0.00 C ATOM 1315 O LYS A 82 -8.637 14.977 -6.076 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.041 11.930 -7.000 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.089 11.084 -7.840 1.00 0.00 C ATOM 1318 CD LYS A 82 -6.508 9.933 -7.048 1.00 0.00 C ATOM 1319 CE LYS A 82 -5.815 8.924 -7.949 1.00 0.00 C ATOM 1320 NZ LYS A 82 -6.764 8.301 -8.909 1.00 0.00 N ATOM 0 H LYS A 82 -6.771 11.234 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.607 13.483 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.677 11.259 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.692 12.485 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.620 10.695 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.280 11.712 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.797 10.317 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.302 9.437 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.013 9.417 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.353 8.148 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.364 7.408 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.667 8.111 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.925 8.948 -9.707 1.00 0.00 H new ATOM 1334 N ASP A 83 -9.191 13.472 -4.511 1.00 0.00 N ATOM 1335 CA ASP A 83 -10.289 14.274 -3.979 1.00 0.00 C ATOM 1336 C ASP A 83 -9.798 15.604 -3.402 1.00 0.00 C ATOM 1337 O ASP A 83 -10.443 16.639 -3.582 1.00 0.00 O ATOM 1338 CB ASP A 83 -11.055 13.489 -2.911 1.00 0.00 C ATOM 1339 CG ASP A 83 -12.296 14.216 -2.432 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -13.279 14.285 -3.197 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -12.302 14.710 -1.282 1.00 0.00 O ATOM 0 H ASP A 83 -9.044 12.585 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.958 14.500 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.340 12.517 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.398 13.301 -2.062 1.00 0.00 H new