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 Set 1.1: A 60 HIS : no HD1:sc= -1.06! C(o=-1.2!,f=-4.3!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.161 X(o=-1.2,f=-0.9) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 63:sc= 0.245 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.72) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 42:sc= -0.0901 USER MOD Single : A 49 SER OG : rot 78:sc= 1.18 USER MOD Single : A 51 ASN : amide:sc= -0.0617 K(o=-0.062,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 56 SER OG : rot -117:sc= 0.37 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 69 MET CE :methyl -167:sc= -0.745 (180deg=-1.17) USER MOD Single : A 70 CYS SG : rot 76:sc= 1.18 USER MOD Single : A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 77 MET CE :methyl 170:sc= -0.909 (180deg=-1.12) USER MOD Single : A 78 TYR OH : rot -111:sc= 0.0407 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.127 (180deg=-0.666) USER MOD ----------------------------------------------------------------- ATOM 106 N ASN A 8 -1.799 -15.350 -4.733 1.00 0.00 N ATOM 107 CA ASN A 8 -1.386 -14.637 -3.516 1.00 0.00 C ATOM 108 C ASN A 8 -0.775 -13.294 -3.913 1.00 0.00 C ATOM 109 O ASN A 8 -0.472 -12.451 -3.078 1.00 0.00 O ATOM 110 CB ASN A 8 -0.330 -15.453 -2.743 1.00 0.00 C ATOM 111 CG ASN A 8 -0.800 -16.847 -2.356 1.00 0.00 C ATOM 112 OD1 ASN A 8 -1.385 -17.047 -1.291 1.00 0.00 O ATOM 113 ND2 ASN A 8 -0.531 -17.822 -3.215 1.00 0.00 N ATOM 0 HA ASN A 8 -2.258 -14.490 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.569 -15.538 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.052 -14.909 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.811 -18.780 -3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.044 -17.614 -4.087 1.00 0.00 H new ATOM 120 N LEU A 9 -0.619 -13.130 -5.207 1.00 0.00 N ATOM 121 CA LEU A 9 0.032 -11.957 -5.759 1.00 0.00 C ATOM 122 C LEU A 9 -0.882 -11.124 -6.654 1.00 0.00 C ATOM 123 O LEU A 9 -0.530 -10.008 -7.031 1.00 0.00 O ATOM 124 CB LEU A 9 1.318 -12.334 -6.473 1.00 0.00 C ATOM 125 CG LEU A 9 2.373 -13.016 -5.599 1.00 0.00 C ATOM 126 CD1 LEU A 9 3.623 -13.320 -6.408 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.704 -12.156 -4.375 1.00 0.00 C ATOM 0 H LEU A 9 -0.937 -13.801 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 9 0.283 -11.317 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.073 -12.997 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.754 -11.432 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 9 1.964 -13.961 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.361 -13.805 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.369 -13.982 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.037 -12.391 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.456 -12.661 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.090 -11.191 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.802 -12.004 -3.782 1.00 0.00 H new ATOM 139 N ALA A 10 -2.061 -11.658 -6.970 1.00 0.00 N ATOM 140 CA ALA A 10 -2.986 -11.004 -7.907 1.00 0.00 C ATOM 141 C ALA A 10 -3.339 -9.575 -7.482 1.00 0.00 C ATOM 142 O ALA A 10 -3.216 -8.638 -8.270 1.00 0.00 O ATOM 143 CB ALA A 10 -4.251 -11.839 -8.069 1.00 0.00 C ATOM 0 H ALA A 10 -2.402 -12.542 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.474 -10.933 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.927 -11.343 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.990 -12.824 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.742 -11.948 -7.102 1.00 0.00 H new ATOM 149 N ALA A 11 -3.778 -9.414 -6.245 1.00 0.00 N ATOM 150 CA ALA A 11 -4.123 -8.094 -5.728 1.00 0.00 C ATOM 151 C ALA A 11 -2.870 -7.277 -5.415 1.00 0.00 C ATOM 152 O ALA A 11 -2.813 -6.073 -5.672 1.00 0.00 O ATOM 153 CB ALA A 11 -5.001 -8.219 -4.492 1.00 0.00 C ATOM 0 H ALA A 11 -3.905 -10.176 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.682 -7.567 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.249 -7.225 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.918 -8.749 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.466 -8.773 -3.720 1.00 0.00 H new ATOM 159 N PHE A 12 -1.872 -7.958 -4.865 1.00 0.00 N ATOM 160 CA PHE A 12 -0.624 -7.323 -4.452 1.00 0.00 C ATOM 161 C PHE A 12 0.073 -6.616 -5.626 1.00 0.00 C ATOM 162 O PHE A 12 0.433 -5.436 -5.526 1.00 0.00 O ATOM 163 CB PHE A 12 0.306 -8.384 -3.841 1.00 0.00 C ATOM 164 CG PHE A 12 1.568 -7.832 -3.237 1.00 0.00 C ATOM 165 CD1 PHE A 12 1.576 -7.373 -1.929 1.00 0.00 C ATOM 166 CD2 PHE A 12 2.743 -7.775 -3.972 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.731 -6.869 -1.366 1.00 0.00 C ATOM 168 CE2 PHE A 12 3.902 -7.272 -3.415 1.00 0.00 C ATOM 169 CZ PHE A 12 3.895 -6.818 -2.108 1.00 0.00 C ATOM 0 H PHE A 12 -1.903 -8.963 -4.693 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.857 -6.561 -3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.241 -8.930 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.573 -9.104 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.669 -7.410 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.751 -8.128 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.725 -6.515 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.811 -7.233 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.799 -6.424 -1.668 1.00 0.00 H new ATOM 179 N LYS A 13 0.263 -7.329 -6.730 1.00 0.00 N ATOM 180 CA LYS A 13 0.899 -6.756 -7.912 1.00 0.00 C ATOM 181 C LYS A 13 0.039 -5.667 -8.552 1.00 0.00 C ATOM 182 O LYS A 13 0.564 -4.691 -9.092 1.00 0.00 O ATOM 183 CB LYS A 13 1.250 -7.842 -8.929 1.00 0.00 C ATOM 184 CG LYS A 13 2.232 -8.878 -8.398 1.00 0.00 C ATOM 185 CD LYS A 13 3.555 -8.245 -8.009 1.00 0.00 C ATOM 186 CE LYS A 13 4.520 -9.281 -7.458 1.00 0.00 C ATOM 187 NZ LYS A 13 5.808 -8.671 -7.038 1.00 0.00 N ATOM 0 H LYS A 13 -0.014 -8.305 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 13 1.825 -6.286 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.335 -8.346 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.674 -7.373 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.800 -9.380 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.402 -9.641 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.997 -7.758 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.384 -7.470 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.063 -9.786 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.709 -10.041 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.438 -9.411 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.257 -8.211 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.632 -7.964 -6.296 1.00 0.00 H new ATOM 201 N ALA A 14 -1.276 -5.842 -8.500 1.00 0.00 N ATOM 202 CA ALA A 14 -2.200 -4.873 -9.083 1.00 0.00 C ATOM 203 C ALA A 14 -2.036 -3.503 -8.430 1.00 0.00 C ATOM 204 O ALA A 14 -2.027 -2.474 -9.110 1.00 0.00 O ATOM 205 CB ALA A 14 -3.635 -5.356 -8.941 1.00 0.00 C ATOM 0 H ALA A 14 -1.727 -6.644 -8.061 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.966 -4.777 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.311 -4.622 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.750 -6.310 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.874 -5.482 -7.885 1.00 0.00 H new ATOM 211 N ALA A 15 -1.891 -3.496 -7.110 1.00 0.00 N ATOM 212 CA ALA A 15 -1.696 -2.256 -6.366 1.00 0.00 C ATOM 213 C ALA A 15 -0.362 -1.603 -6.736 1.00 0.00 C ATOM 214 O ALA A 15 -0.222 -0.381 -6.697 1.00 0.00 O ATOM 215 CB ALA A 15 -1.766 -2.519 -4.868 1.00 0.00 C ATOM 0 H ALA A 15 -1.905 -4.336 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.496 -1.567 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.619 -1.584 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.742 -2.934 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.987 -3.228 -4.586 1.00 0.00 H new ATOM 221 N THR A 16 0.595 -2.436 -7.110 1.00 0.00 N ATOM 222 CA THR A 16 1.934 -1.988 -7.476 1.00 0.00 C ATOM 223 C THR A 16 1.909 -1.045 -8.695 1.00 0.00 C ATOM 224 O THR A 16 2.568 -0.004 -8.694 1.00 0.00 O ATOM 225 CB THR A 16 2.858 -3.195 -7.772 1.00 0.00 C ATOM 226 OG1 THR A 16 2.965 -4.024 -6.601 1.00 0.00 O ATOM 227 CG2 THR A 16 4.251 -2.730 -8.188 1.00 0.00 C ATOM 0 H THR A 16 0.467 -3.446 -7.169 1.00 0.00 H new ATOM 0 HA THR A 16 2.328 -1.434 -6.624 1.00 0.00 H new ATOM 0 HB THR A 16 2.421 -3.764 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.083 -4.385 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.879 -3.598 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.177 -2.119 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.693 -2.141 -7.384 1.00 0.00 H new ATOM 235 N ASN A 17 1.140 -1.405 -9.718 1.00 0.00 N ATOM 236 CA ASN A 17 1.061 -0.593 -10.944 1.00 0.00 C ATOM 237 C ASN A 17 0.411 0.765 -10.670 1.00 0.00 C ATOM 238 O ASN A 17 0.707 1.757 -11.335 1.00 0.00 O ATOM 239 CB ASN A 17 0.303 -1.334 -12.051 1.00 0.00 C ATOM 240 CG ASN A 17 0.227 -0.529 -13.344 1.00 0.00 C ATOM 241 OD1 ASN A 17 -0.721 0.228 -13.571 1.00 0.00 O ATOM 242 ND2 ASN A 17 1.223 -0.687 -14.193 1.00 0.00 N ATOM 0 H ASN A 17 0.564 -2.246 -9.730 1.00 0.00 H new ATOM 0 HA ASN A 17 2.082 -0.419 -11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.794 -2.287 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.706 -1.560 -11.707 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.228 -0.174 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.989 -1.322 -13.968 1.00 0.00 H new ATOM 249 N LYS A 18 -0.446 0.805 -9.660 1.00 0.00 N ATOM 250 CA LYS A 18 -1.169 2.019 -9.299 1.00 0.00 C ATOM 251 C LYS A 18 -0.214 3.064 -8.722 1.00 0.00 C ATOM 252 O LYS A 18 -0.385 4.265 -8.935 1.00 0.00 O ATOM 253 CB LYS A 18 -2.299 1.710 -8.309 1.00 0.00 C ATOM 254 CG LYS A 18 -3.673 1.530 -8.955 1.00 0.00 C ATOM 255 CD LYS A 18 -3.730 0.314 -9.865 1.00 0.00 C ATOM 256 CE LYS A 18 -5.123 0.131 -10.454 1.00 0.00 C ATOM 257 NZ LYS A 18 -5.195 -1.035 -11.361 1.00 0.00 N ATOM 0 H LYS A 18 -0.660 0.002 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.617 2.428 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.047 0.802 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.357 2.517 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.428 1.433 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.921 2.422 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.004 0.425 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.450 -0.577 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.844 0.006 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.407 1.031 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.160 -1.122 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.526 -0.906 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.950 -1.899 -10.836 1.00 0.00 H new ATOM 271 N LEU A 19 0.801 2.578 -8.001 1.00 0.00 N ATOM 272 CA LEU A 19 1.781 3.427 -7.309 1.00 0.00 C ATOM 273 C LEU A 19 2.449 4.406 -8.277 1.00 0.00 C ATOM 274 O LEU A 19 2.722 5.554 -7.925 1.00 0.00 O ATOM 275 CB LEU A 19 2.873 2.550 -6.678 1.00 0.00 C ATOM 276 CG LEU A 19 2.441 1.612 -5.546 1.00 0.00 C ATOM 277 CD1 LEU A 19 3.562 0.648 -5.210 1.00 0.00 C ATOM 278 CD2 LEU A 19 2.050 2.404 -4.310 1.00 0.00 C ATOM 0 H LEU A 19 0.968 1.579 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 19 1.249 3.990 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.321 1.946 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.655 3.205 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 19 1.572 1.046 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.244 -0.014 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.808 0.055 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.441 1.209 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.747 1.718 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.902 2.994 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.221 3.069 -4.551 1.00 0.00 H new ATOM 290 N PHE A 20 2.716 3.943 -9.490 1.00 0.00 N ATOM 291 CA PHE A 20 3.363 4.763 -10.508 1.00 0.00 C ATOM 292 C PHE A 20 2.515 5.996 -10.847 1.00 0.00 C ATOM 293 O PHE A 20 3.037 7.102 -10.996 1.00 0.00 O ATOM 294 CB PHE A 20 3.631 3.940 -11.772 1.00 0.00 C ATOM 295 CG PHE A 20 4.431 4.676 -12.810 1.00 0.00 C ATOM 296 CD1 PHE A 20 5.811 4.749 -12.714 1.00 0.00 C ATOM 297 CD2 PHE A 20 3.804 5.293 -13.879 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.551 5.426 -13.663 1.00 0.00 C ATOM 299 CE2 PHE A 20 4.537 5.970 -14.831 1.00 0.00 C ATOM 300 CZ PHE A 20 5.914 6.036 -14.724 1.00 0.00 C ATOM 0 H PHE A 20 2.493 2.996 -9.796 1.00 0.00 H new ATOM 0 HA PHE A 20 4.316 5.106 -10.104 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.160 3.028 -11.496 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.679 3.637 -12.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.314 4.271 -11.887 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.729 5.244 -13.968 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.626 5.478 -13.575 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.036 6.448 -15.660 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.490 6.564 -15.470 1.00 0.00 H new ATOM 310 N GLN A 21 1.209 5.796 -10.954 1.00 0.00 N ATOM 311 CA GLN A 21 0.276 6.871 -11.307 1.00 0.00 C ATOM 312 C GLN A 21 0.088 7.845 -10.133 1.00 0.00 C ATOM 313 O GLN A 21 -0.510 8.915 -10.274 1.00 0.00 O ATOM 314 CB GLN A 21 -1.068 6.281 -11.741 1.00 0.00 C ATOM 315 CG GLN A 21 -0.959 5.339 -12.938 1.00 0.00 C ATOM 316 CD GLN A 21 -0.359 6.015 -14.153 1.00 0.00 C ATOM 317 OE1 GLN A 21 -0.542 7.211 -14.368 1.00 0.00 O ATOM 318 NE2 GLN A 21 0.367 5.256 -14.952 1.00 0.00 N ATOM 0 H GLN A 21 0.763 4.892 -10.801 1.00 0.00 H new ATOM 0 HA GLN A 21 0.697 7.432 -12.141 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.507 5.741 -10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.750 7.094 -11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.347 4.479 -12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.949 4.959 -13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.495 4.267 -14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.800 5.659 -15.783 1.00 0.00 H new ATOM 327 N LEU A 22 0.628 7.464 -8.999 1.00 0.00 N ATOM 328 CA LEU A 22 0.533 8.290 -7.803 1.00 0.00 C ATOM 329 C LEU A 22 1.918 8.869 -7.469 1.00 0.00 C ATOM 330 O LEU A 22 2.075 9.703 -6.574 1.00 0.00 O ATOM 331 CB LEU A 22 -0.054 7.476 -6.644 1.00 0.00 C ATOM 332 CG LEU A 22 -0.426 8.261 -5.384 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.428 9.359 -5.716 1.00 0.00 C ATOM 334 CD2 LEU A 22 -1.009 7.327 -4.337 1.00 0.00 C ATOM 0 H LEU A 22 1.138 6.590 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.143 9.127 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.946 6.963 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.666 6.706 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 22 0.478 8.721 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.681 9.907 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.990 10.043 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.330 8.914 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.270 7.897 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.903 6.847 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.273 6.566 -4.078 1.00 0.00 H new ATOM 346 N ASP A 23 2.900 8.411 -8.248 1.00 0.00 N ATOM 347 CA ASP A 23 4.287 8.908 -8.199 1.00 0.00 C ATOM 348 C ASP A 23 4.903 8.690 -6.810 1.00 0.00 C ATOM 349 O ASP A 23 5.540 9.576 -6.238 1.00 0.00 O ATOM 350 CB ASP A 23 4.345 10.392 -8.604 1.00 0.00 C ATOM 351 CG ASP A 23 5.763 10.892 -8.837 1.00 0.00 C ATOM 352 OD1 ASP A 23 6.507 10.247 -9.606 1.00 0.00 O ATOM 353 OD2 ASP A 23 6.127 11.953 -8.281 1.00 0.00 O ATOM 0 H ASP A 23 2.758 7.676 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 23 4.878 8.337 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.761 10.538 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.877 10.994 -7.825 1.00 0.00 H new ATOM 358 N LEU A 24 4.712 7.496 -6.288 1.00 0.00 N ATOM 359 CA LEU A 24 5.253 7.132 -4.989 1.00 0.00 C ATOM 360 C LEU A 24 5.552 5.638 -4.933 1.00 0.00 C ATOM 361 O LEU A 24 5.292 4.917 -5.899 1.00 0.00 O ATOM 362 CB LEU A 24 4.356 7.607 -3.819 1.00 0.00 C ATOM 363 CG LEU A 24 2.851 7.317 -3.907 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.560 5.832 -3.782 1.00 0.00 C ATOM 365 CD2 LEU A 24 2.112 8.101 -2.831 1.00 0.00 C ATOM 0 H LEU A 24 4.182 6.754 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 24 6.198 7.661 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.732 7.152 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.484 8.684 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 24 2.499 7.635 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.485 5.665 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.061 5.294 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.924 5.469 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.044 7.892 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.479 7.805 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.283 9.168 -2.976 1.00 0.00 H new ATOM 377 N ALA A 25 6.087 5.172 -3.815 1.00 0.00 N ATOM 378 CA ALA A 25 6.429 3.767 -3.667 1.00 0.00 C ATOM 379 C ALA A 25 6.288 3.333 -2.219 1.00 0.00 C ATOM 380 O ALA A 25 6.530 4.117 -1.305 1.00 0.00 O ATOM 381 CB ALA A 25 7.850 3.521 -4.155 1.00 0.00 C ATOM 0 H ALA A 25 6.293 5.746 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 25 5.741 3.176 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.097 2.466 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.927 3.799 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.545 4.122 -3.569 1.00 0.00 H new ATOM 387 N VAL A 26 5.876 2.095 -2.018 1.00 0.00 N ATOM 388 CA VAL A 26 5.749 1.538 -0.684 1.00 0.00 C ATOM 389 C VAL A 26 7.001 0.752 -0.305 1.00 0.00 C ATOM 390 O VAL A 26 7.379 -0.208 -0.979 1.00 0.00 O ATOM 391 CB VAL A 26 4.489 0.619 -0.559 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.428 -0.397 -1.693 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.466 -0.095 0.790 1.00 0.00 C ATOM 0 H VAL A 26 5.622 1.452 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 26 5.630 2.375 0.004 1.00 0.00 H new ATOM 0 HB VAL A 26 3.610 1.260 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.541 -1.020 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.381 0.126 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.318 -1.025 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.580 -0.727 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.360 -0.711 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.442 0.643 1.592 1.00 0.00 H new ATOM 403 N ILE A 27 7.656 1.181 0.754 1.00 0.00 N ATOM 404 CA ILE A 27 8.824 0.490 1.244 1.00 0.00 C ATOM 405 C ILE A 27 8.433 -0.440 2.388 1.00 0.00 C ATOM 406 O ILE A 27 7.747 -0.033 3.334 1.00 0.00 O ATOM 407 CB ILE A 27 9.945 1.471 1.685 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.439 2.446 2.756 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.488 2.229 0.481 1.00 0.00 C ATOM 410 CD1 ILE A 27 10.515 3.360 3.309 1.00 0.00 C ATOM 0 H ILE A 27 7.396 2.008 1.291 1.00 0.00 H new ATOM 0 HA ILE A 27 9.231 -0.101 0.424 1.00 0.00 H new ATOM 0 HB ILE A 27 10.754 0.887 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.641 3.055 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.003 1.876 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.273 2.913 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.898 1.521 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.682 2.796 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.081 4.020 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.303 2.760 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.935 3.958 2.500 1.00 0.00 H new ATOM 422 N TYR A 28 8.850 -1.679 2.296 1.00 0.00 N ATOM 423 CA TYR A 28 8.477 -2.667 3.278 1.00 0.00 C ATOM 424 C TYR A 28 9.691 -3.209 4.002 1.00 0.00 C ATOM 425 O TYR A 28 10.819 -3.133 3.504 1.00 0.00 O ATOM 426 CB TYR A 28 7.685 -3.818 2.620 1.00 0.00 C ATOM 427 CG TYR A 28 8.460 -4.597 1.567 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.540 -4.150 0.250 1.00 0.00 C ATOM 429 CD2 TYR A 28 9.111 -5.781 1.894 1.00 0.00 C ATOM 430 CE1 TYR A 28 9.245 -4.859 -0.706 1.00 0.00 C ATOM 431 CE2 TYR A 28 9.819 -6.495 0.944 1.00 0.00 C ATOM 432 CZ TYR A 28 9.882 -6.029 -0.354 1.00 0.00 C ATOM 433 OH TYR A 28 10.588 -6.737 -1.304 1.00 0.00 O ATOM 0 H TYR A 28 9.450 -2.028 1.548 1.00 0.00 H new ATOM 0 HA TYR A 28 7.837 -2.178 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.359 -4.509 3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.786 -3.407 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.043 -3.233 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.063 -6.150 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.296 -4.498 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.320 -7.412 1.216 1.00 0.00 H new ATOM 0 HH TYR A 28 10.978 -7.537 -0.893 1.00 0.00 H new ATOM 443 N ASP A 29 9.451 -3.730 5.183 1.00 0.00 N ATOM 444 CA ASP A 29 10.498 -4.320 5.993 1.00 0.00 C ATOM 445 C ASP A 29 10.763 -5.748 5.536 1.00 0.00 C ATOM 446 O ASP A 29 9.876 -6.403 4.981 1.00 0.00 O ATOM 447 CB ASP A 29 10.112 -4.282 7.475 1.00 0.00 C ATOM 448 CG ASP A 29 11.197 -4.805 8.385 1.00 0.00 C ATOM 449 OD1 ASP A 29 12.341 -4.325 8.286 1.00 0.00 O ATOM 450 OD2 ASP A 29 10.903 -5.677 9.216 1.00 0.00 O ATOM 0 H ASP A 29 8.526 -3.758 5.611 1.00 0.00 H new ATOM 0 HA ASP A 29 11.413 -3.741 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.874 -3.256 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.207 -4.871 7.623 1.00 0.00 H new ATOM 455 N ASP A 30 11.960 -6.223 5.785 1.00 0.00 N ATOM 456 CA ASP A 30 12.375 -7.538 5.329 1.00 0.00 C ATOM 457 C ASP A 30 13.637 -7.956 6.086 1.00 0.00 C ATOM 458 O ASP A 30 14.157 -7.170 6.887 1.00 0.00 O ATOM 459 CB ASP A 30 12.615 -7.531 3.804 1.00 0.00 C ATOM 460 CG ASP A 30 12.761 -8.924 3.211 1.00 0.00 C ATOM 461 OD1 ASP A 30 11.738 -9.610 3.028 1.00 0.00 O ATOM 462 OD2 ASP A 30 13.904 -9.336 2.918 1.00 0.00 O ATOM 0 H ASP A 30 12.675 -5.715 6.307 1.00 0.00 H new ATOM 0 HA ASP A 30 11.586 -8.262 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.785 -7.021 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.515 -6.955 3.588 1.00 0.00 H new ATOM 627 N CYS A 40 7.432 -11.230 10.228 1.00 0.00 N ATOM 628 CA CYS A 40 7.543 -9.788 10.433 1.00 0.00 C ATOM 629 C CYS A 40 7.455 -9.030 9.099 1.00 0.00 C ATOM 630 O CYS A 40 8.397 -9.037 8.310 1.00 0.00 O ATOM 631 CB CYS A 40 8.849 -9.436 11.167 1.00 0.00 C ATOM 632 SG CYS A 40 10.343 -10.145 10.437 1.00 0.00 S ATOM 0 HA CYS A 40 6.704 -9.477 11.056 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.954 -8.351 11.193 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.771 -9.774 12.200 1.00 0.00 H new ATOM 0 HG CYS A 40 10.285 -10.040 9.143 1.00 0.00 H new ATOM 638 N ILE A 41 6.305 -8.403 8.840 1.00 0.00 N ATOM 639 CA ILE A 41 6.115 -7.627 7.606 1.00 0.00 C ATOM 640 C ILE A 41 5.611 -6.216 7.934 1.00 0.00 C ATOM 641 O ILE A 41 4.497 -6.046 8.426 1.00 0.00 O ATOM 642 CB ILE A 41 5.109 -8.331 6.647 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.642 -9.710 6.233 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.836 -7.470 5.412 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.663 -10.534 5.423 1.00 0.00 C ATOM 0 H ILE A 41 5.496 -8.415 9.461 1.00 0.00 H new ATOM 0 HA ILE A 41 7.081 -7.559 7.106 1.00 0.00 H new ATOM 0 HB ILE A 41 4.168 -8.466 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.555 -9.575 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.914 -10.267 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.131 -7.984 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.414 -6.514 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.769 -7.298 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.116 -11.493 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.758 -10.702 6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.409 -10.001 4.507 1.00 0.00 H new ATOM 657 N ARG A 42 6.444 -5.209 7.699 1.00 0.00 N ATOM 658 CA ARG A 42 6.059 -3.815 7.987 1.00 0.00 C ATOM 659 C ARG A 42 5.899 -2.981 6.696 1.00 0.00 C ATOM 660 O ARG A 42 6.733 -3.064 5.802 1.00 0.00 O ATOM 661 CB ARG A 42 7.134 -3.181 8.868 1.00 0.00 C ATOM 662 CG ARG A 42 7.296 -3.842 10.230 1.00 0.00 C ATOM 663 CD ARG A 42 8.472 -3.250 10.996 1.00 0.00 C ATOM 664 NE ARG A 42 8.612 -3.828 12.336 1.00 0.00 N ATOM 665 CZ ARG A 42 9.552 -4.717 12.709 1.00 0.00 C ATOM 666 NH1 ARG A 42 10.400 -5.236 11.819 1.00 0.00 N ATOM 667 NH2 ARG A 42 9.621 -5.099 13.980 1.00 0.00 N ATOM 0 H ARG A 42 7.382 -5.320 7.314 1.00 0.00 H new ATOM 0 HA ARG A 42 5.095 -3.825 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.088 -3.220 8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.893 -2.128 9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.381 -3.715 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.446 -4.914 10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.390 -3.417 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.342 -2.171 11.080 1.00 0.00 H new ATOM 0 HE ARG A 42 7.941 -3.532 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.342 -4.960 10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.106 -5.908 12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.965 -4.719 14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.329 -5.772 14.273 1.00 0.00 H new ATOM 681 N LEU A 43 4.812 -2.183 6.615 1.00 0.00 N ATOM 682 CA LEU A 43 4.576 -1.273 5.462 1.00 0.00 C ATOM 683 C LEU A 43 4.721 0.205 5.870 1.00 0.00 C ATOM 684 O LEU A 43 3.910 0.723 6.634 1.00 0.00 O ATOM 685 CB LEU A 43 3.152 -1.470 4.876 1.00 0.00 C ATOM 686 CG LEU A 43 2.943 -2.609 3.861 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.286 -3.957 4.464 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.503 -2.609 3.364 1.00 0.00 C ATOM 0 H LEU A 43 4.084 -2.147 7.329 1.00 0.00 H new ATOM 0 HA LEU A 43 5.327 -1.523 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.467 -1.634 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.855 -0.537 4.398 1.00 0.00 H new ATOM 0 HG LEU A 43 3.615 -2.437 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.127 -4.739 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.330 -3.960 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.647 -4.142 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.366 -3.418 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.827 -2.753 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.284 -1.656 2.882 1.00 0.00 H new ATOM 700 N ARG A 44 5.760 0.865 5.379 1.00 0.00 N ATOM 701 CA ARG A 44 5.949 2.303 5.611 1.00 0.00 C ATOM 702 C ARG A 44 5.668 3.113 4.331 1.00 0.00 C ATOM 703 O ARG A 44 6.277 2.872 3.288 1.00 0.00 O ATOM 704 CB ARG A 44 7.384 2.543 6.106 1.00 0.00 C ATOM 705 CG ARG A 44 7.804 4.000 6.214 1.00 0.00 C ATOM 706 CD ARG A 44 9.214 4.104 6.779 1.00 0.00 C ATOM 707 NE ARG A 44 9.805 5.432 6.590 1.00 0.00 N ATOM 708 CZ ARG A 44 10.937 5.845 7.171 1.00 0.00 C ATOM 709 NH1 ARG A 44 11.542 5.090 8.087 1.00 0.00 N ATOM 710 NH2 ARG A 44 11.445 7.020 6.843 1.00 0.00 N ATOM 0 H ARG A 44 6.491 0.432 4.815 1.00 0.00 H new ATOM 0 HA ARG A 44 5.242 2.641 6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.494 2.078 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.072 2.034 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.763 4.471 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.107 4.540 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.192 3.869 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.848 3.358 6.301 1.00 0.00 H new ATOM 0 HE ARG A 44 9.321 6.085 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.142 4.189 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.405 5.413 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.974 7.604 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.308 7.343 7.281 1.00 0.00 H new ATOM 724 N ILE A 45 4.726 4.060 4.416 1.00 0.00 N ATOM 725 CA ILE A 45 4.360 4.892 3.261 1.00 0.00 C ATOM 726 C ILE A 45 4.840 6.336 3.446 1.00 0.00 C ATOM 727 O ILE A 45 4.558 6.969 4.470 1.00 0.00 O ATOM 728 CB ILE A 45 2.818 4.928 3.050 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.242 3.511 2.938 1.00 0.00 C ATOM 730 CG2 ILE A 45 2.469 5.735 1.798 1.00 0.00 C ATOM 731 CD1 ILE A 45 2.762 2.726 1.758 1.00 0.00 C ATOM 0 H ILE A 45 4.205 4.269 5.268 1.00 0.00 H new ATOM 0 HA ILE A 45 4.842 4.443 2.393 1.00 0.00 H new ATOM 0 HB ILE A 45 2.373 5.411 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.470 2.964 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.156 3.576 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.387 5.750 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.835 6.756 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.935 5.275 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.306 1.736 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.511 3.248 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.845 2.627 1.836 1.00 0.00 H new ATOM 743 N GLU A 46 5.551 6.853 2.459 1.00 0.00 N ATOM 744 CA GLU A 46 6.004 8.230 2.483 1.00 0.00 C ATOM 745 C GLU A 46 6.169 8.771 1.069 1.00 0.00 C ATOM 746 O GLU A 46 6.307 8.005 0.111 1.00 0.00 O ATOM 747 CB GLU A 46 7.302 8.384 3.288 1.00 0.00 C ATOM 748 CG GLU A 46 8.435 7.484 2.839 1.00 0.00 C ATOM 749 CD GLU A 46 9.703 7.737 3.622 1.00 0.00 C ATOM 750 OE1 GLU A 46 9.665 7.683 4.870 1.00 0.00 O ATOM 751 OE2 GLU A 46 10.745 8.001 2.993 1.00 0.00 O ATOM 0 H GLU A 46 5.828 6.334 1.626 1.00 0.00 H new ATOM 0 HA GLU A 46 5.238 8.820 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.632 9.421 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.089 8.181 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.138 6.442 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.626 7.644 1.778 1.00 0.00 H new ATOM 758 N ASP A 47 6.142 10.088 0.947 1.00 0.00 N ATOM 759 CA ASP A 47 6.291 10.758 -0.337 1.00 0.00 C ATOM 760 C ASP A 47 7.739 10.675 -0.788 1.00 0.00 C ATOM 761 O ASP A 47 8.646 10.494 0.033 1.00 0.00 O ATOM 762 CB ASP A 47 5.851 12.231 -0.232 1.00 0.00 C ATOM 763 CG ASP A 47 5.904 12.971 -1.564 1.00 0.00 C ATOM 764 OD1 ASP A 47 6.982 13.500 -1.915 1.00 0.00 O ATOM 765 OD2 ASP A 47 4.879 13.025 -2.266 1.00 0.00 O ATOM 0 H ASP A 47 6.016 10.724 1.735 1.00 0.00 H new ATOM 0 HA ASP A 47 5.656 10.262 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.834 12.273 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.490 12.744 0.487 1.00 0.00 H new ATOM 770 N ARG A 48 7.968 10.825 -2.076 1.00 0.00 N ATOM 771 CA ARG A 48 9.307 10.715 -2.643 1.00 0.00 C ATOM 772 C ARG A 48 10.179 11.949 -2.341 1.00 0.00 C ATOM 773 O ARG A 48 11.274 12.086 -2.888 1.00 0.00 O ATOM 774 CB ARG A 48 9.250 10.447 -4.168 1.00 0.00 C ATOM 775 CG ARG A 48 8.736 11.608 -5.044 1.00 0.00 C ATOM 776 CD ARG A 48 7.250 11.896 -4.842 1.00 0.00 C ATOM 777 NE ARG A 48 6.745 12.851 -5.832 1.00 0.00 N ATOM 778 CZ ARG A 48 6.434 14.127 -5.582 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.466 14.601 -4.343 1.00 0.00 N ATOM 780 NH2 ARG A 48 6.057 14.917 -6.574 1.00 0.00 N ATOM 0 H ARG A 48 7.239 11.026 -2.761 1.00 0.00 H new ATOM 0 HA ARG A 48 9.780 9.861 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.251 10.179 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.613 9.580 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.309 12.507 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.915 11.371 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.686 10.966 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.089 12.291 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 48 6.621 12.516 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.730 13.990 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.227 15.576 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.005 14.552 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.819 15.891 -6.388 1.00 0.00 H new ATOM 794 N SER A 49 9.701 12.834 -1.476 1.00 0.00 N ATOM 795 CA SER A 49 10.459 14.016 -1.093 1.00 0.00 C ATOM 796 C SER A 49 10.860 13.899 0.378 1.00 0.00 C ATOM 797 O SER A 49 11.413 14.828 0.962 1.00 0.00 O ATOM 798 CB SER A 49 9.611 15.270 -1.289 1.00 0.00 C ATOM 799 OG SER A 49 8.928 15.228 -2.527 1.00 0.00 O ATOM 0 H SER A 49 8.789 12.754 -1.026 1.00 0.00 H new ATOM 0 HA SER A 49 11.350 14.089 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.892 15.359 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.247 16.154 -1.250 1.00 0.00 H new ATOM 0 HG SER A 49 8.147 14.641 -2.450 1.00 0.00 H new ATOM 805 N GLY A 50 10.586 12.735 0.956 1.00 0.00 N ATOM 806 CA GLY A 50 10.865 12.512 2.364 1.00 0.00 C ATOM 807 C GLY A 50 9.668 12.780 3.269 1.00 0.00 C ATOM 808 O GLY A 50 9.643 12.332 4.413 1.00 0.00 O ATOM 0 H GLY A 50 10.173 11.937 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.192 11.482 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.692 13.153 2.669 1.00 0.00 H new ATOM 812 N ASN A 51 8.687 13.527 2.764 1.00 0.00 N ATOM 813 CA ASN A 51 7.473 13.837 3.533 1.00 0.00 C ATOM 814 C ASN A 51 6.711 12.552 3.858 1.00 0.00 C ATOM 815 O ASN A 51 6.310 11.816 2.961 1.00 0.00 O ATOM 816 CB ASN A 51 6.576 14.796 2.732 1.00 0.00 C ATOM 817 CG ASN A 51 5.533 15.503 3.590 1.00 0.00 C ATOM 818 OD1 ASN A 51 5.121 15.006 4.636 1.00 0.00 O ATOM 819 ND2 ASN A 51 5.089 16.662 3.139 1.00 0.00 N ATOM 0 H ASN A 51 8.705 13.930 1.827 1.00 0.00 H new ATOM 0 HA ASN A 51 7.761 14.318 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.201 15.543 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.070 14.237 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.381 17.176 3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.454 17.044 2.266 1.00 0.00 H new ATOM 826 N LEU A 52 6.526 12.287 5.139 1.00 0.00 N ATOM 827 CA LEU A 52 5.865 11.067 5.579 1.00 0.00 C ATOM 828 C LEU A 52 4.370 11.066 5.252 1.00 0.00 C ATOM 829 O LEU A 52 3.718 12.108 5.240 1.00 0.00 O ATOM 830 CB LEU A 52 6.104 10.826 7.085 1.00 0.00 C ATOM 831 CG LEU A 52 5.795 11.999 8.042 1.00 0.00 C ATOM 832 CD1 LEU A 52 4.299 12.155 8.283 1.00 0.00 C ATOM 833 CD2 LEU A 52 6.524 11.807 9.358 1.00 0.00 C ATOM 0 H LEU A 52 6.825 12.901 5.897 1.00 0.00 H new ATOM 0 HA LEU A 52 6.310 10.242 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.500 9.971 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.148 10.544 7.221 1.00 0.00 H new ATOM 0 HG LEU A 52 6.147 12.915 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.125 12.990 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.796 12.346 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.904 11.240 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.298 12.640 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.200 10.875 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.598 11.768 9.177 1.00 0.00 H new ATOM 845 N ILE A 53 3.845 9.888 4.963 1.00 0.00 N ATOM 846 CA ILE A 53 2.430 9.735 4.673 1.00 0.00 C ATOM 847 C ILE A 53 1.750 8.965 5.802 1.00 0.00 C ATOM 848 O ILE A 53 0.751 9.422 6.364 1.00 0.00 O ATOM 849 CB ILE A 53 2.181 9.019 3.320 1.00 0.00 C ATOM 850 CG1 ILE A 53 2.764 9.839 2.154 1.00 0.00 C ATOM 851 CG2 ILE A 53 0.688 8.769 3.106 1.00 0.00 C ATOM 852 CD1 ILE A 53 2.150 11.220 1.997 1.00 0.00 C ATOM 0 H ILE A 53 4.380 9.020 4.923 1.00 0.00 H new ATOM 0 HA ILE A 53 2.002 10.735 4.595 1.00 0.00 H new ATOM 0 HB ILE A 53 2.689 8.055 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.839 9.946 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.623 9.283 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.537 8.266 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.305 8.142 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.156 9.721 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.615 11.731 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.079 11.124 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.314 11.797 2.907 1.00 0.00 H new ATOM 864 N ASP A 54 2.327 7.807 6.148 1.00 0.00 N ATOM 865 CA ASP A 54 1.777 6.946 7.197 1.00 0.00 C ATOM 866 C ASP A 54 2.740 5.784 7.485 1.00 0.00 C ATOM 867 O ASP A 54 3.760 5.634 6.813 1.00 0.00 O ATOM 868 CB ASP A 54 0.392 6.408 6.798 1.00 0.00 C ATOM 869 CG ASP A 54 -0.416 5.955 7.998 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.292 4.792 8.403 1.00 0.00 O ATOM 871 OD2 ASP A 54 -1.170 6.780 8.558 1.00 0.00 O ATOM 0 H ASP A 54 3.177 7.446 5.714 1.00 0.00 H new ATOM 0 HA ASP A 54 1.660 7.541 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.157 7.184 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.514 5.573 6.108 1.00 0.00 H new ATOM 876 N THR A 55 2.419 4.973 8.477 1.00 0.00 N ATOM 877 CA THR A 55 3.255 3.848 8.862 1.00 0.00 C ATOM 878 C THR A 55 2.377 2.724 9.431 1.00 0.00 C ATOM 879 O THR A 55 1.425 2.988 10.167 1.00 0.00 O ATOM 880 CB THR A 55 4.319 4.271 9.907 1.00 0.00 C ATOM 881 OG1 THR A 55 5.086 5.370 9.389 1.00 0.00 O ATOM 882 CG2 THR A 55 5.262 3.113 10.231 1.00 0.00 C ATOM 0 H THR A 55 1.573 5.075 9.038 1.00 0.00 H new ATOM 0 HA THR A 55 3.779 3.490 7.976 1.00 0.00 H new ATOM 0 HB THR A 55 3.803 4.566 10.821 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.758 5.640 10.049 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.998 3.438 10.966 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.688 2.279 10.636 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.773 2.795 9.322 1.00 0.00 H new ATOM 890 N SER A 56 2.695 1.483 9.093 1.00 0.00 N ATOM 891 CA SER A 56 1.895 0.358 9.538 1.00 0.00 C ATOM 892 C SER A 56 2.766 -0.853 9.888 1.00 0.00 C ATOM 893 O SER A 56 3.774 -1.129 9.223 1.00 0.00 O ATOM 894 CB SER A 56 0.868 -0.012 8.461 1.00 0.00 C ATOM 895 OG SER A 56 -0.006 -1.036 8.907 1.00 0.00 O ATOM 0 H SER A 56 3.497 1.233 8.515 1.00 0.00 H new ATOM 0 HA SER A 56 1.371 0.656 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.288 0.871 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.386 -0.341 7.560 1.00 0.00 H new ATOM 0 HG SER A 56 0.104 -1.829 8.342 1.00 0.00 H new ATOM 901 N THR A 57 2.377 -1.551 10.938 1.00 0.00 N ATOM 902 CA THR A 57 3.059 -2.752 11.378 1.00 0.00 C ATOM 903 C THR A 57 2.067 -3.919 11.364 1.00 0.00 C ATOM 904 O THR A 57 0.973 -3.809 11.926 1.00 0.00 O ATOM 905 CB THR A 57 3.612 -2.564 12.806 1.00 0.00 C ATOM 906 OG1 THR A 57 4.417 -1.377 12.854 1.00 0.00 O ATOM 907 CG2 THR A 57 4.463 -3.755 13.215 1.00 0.00 C ATOM 0 H THR A 57 1.573 -1.298 11.513 1.00 0.00 H new ATOM 0 HA THR A 57 3.892 -2.959 10.706 1.00 0.00 H new ATOM 0 HB THR A 57 2.771 -2.478 13.494 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.767 -1.256 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.843 -3.601 14.225 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.857 -4.661 13.189 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.300 -3.858 12.525 1.00 0.00 H new ATOM 915 N PHE A 58 2.428 -5.021 10.716 1.00 0.00 N ATOM 916 CA PHE A 58 1.509 -6.145 10.602 1.00 0.00 C ATOM 917 C PHE A 58 1.896 -7.340 11.468 1.00 0.00 C ATOM 918 O PHE A 58 2.941 -7.968 11.267 1.00 0.00 O ATOM 919 CB PHE A 58 1.365 -6.585 9.145 1.00 0.00 C ATOM 920 CG PHE A 58 0.556 -5.643 8.296 1.00 0.00 C ATOM 921 CD1 PHE A 58 1.159 -4.588 7.633 1.00 0.00 C ATOM 922 CD2 PHE A 58 -0.813 -5.818 8.162 1.00 0.00 C ATOM 923 CE1 PHE A 58 0.414 -3.725 6.851 1.00 0.00 C ATOM 924 CE2 PHE A 58 -1.563 -4.958 7.381 1.00 0.00 C ATOM 925 CZ PHE A 58 -0.949 -3.910 6.724 1.00 0.00 C ATOM 0 H PHE A 58 3.334 -5.159 10.269 1.00 0.00 H new ATOM 0 HA PHE A 58 0.551 -5.782 10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.358 -6.689 8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.901 -7.571 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.224 -4.437 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.299 -6.636 8.674 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.898 -2.906 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.629 -5.106 7.285 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.532 -3.237 6.113 1.00 0.00 H new ATOM 935 N TYR A 59 1.041 -7.619 12.436 1.00 0.00 N ATOM 936 CA TYR A 59 1.118 -8.803 13.286 1.00 0.00 C ATOM 937 C TYR A 59 -0.304 -9.214 13.622 1.00 0.00 C ATOM 938 O TYR A 59 -1.083 -8.385 14.091 1.00 0.00 O ATOM 939 CB TYR A 59 1.881 -8.539 14.595 1.00 0.00 C ATOM 940 CG TYR A 59 3.376 -8.343 14.454 1.00 0.00 C ATOM 941 CD1 TYR A 59 4.233 -9.436 14.381 1.00 0.00 C ATOM 942 CD2 TYR A 59 3.931 -7.076 14.416 1.00 0.00 C ATOM 943 CE1 TYR A 59 5.599 -9.266 14.271 1.00 0.00 C ATOM 944 CE2 TYR A 59 5.296 -6.898 14.310 1.00 0.00 C ATOM 945 CZ TYR A 59 6.124 -7.994 14.236 1.00 0.00 C ATOM 946 OH TYR A 59 7.487 -7.817 14.141 1.00 0.00 O ATOM 0 H TYR A 59 0.251 -7.014 12.662 1.00 0.00 H new ATOM 0 HA TYR A 59 1.658 -9.583 12.749 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.459 -7.652 15.067 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.705 -9.375 15.272 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.823 -10.435 14.411 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.286 -6.212 14.470 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.251 -10.125 14.213 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.712 -5.902 14.285 1.00 0.00 H new ATOM 0 HH TYR A 59 7.692 -6.859 14.127 1.00 0.00 H new ATOM 956 N HIS A 60 -0.653 -10.472 13.400 1.00 0.00 N ATOM 957 CA HIS A 60 -2.026 -10.914 13.631 1.00 0.00 C ATOM 958 C HIS A 60 -2.130 -12.430 13.423 1.00 0.00 C ATOM 959 O HIS A 60 -1.145 -13.153 13.560 1.00 0.00 O ATOM 960 CB HIS A 60 -2.964 -10.172 12.641 1.00 0.00 C ATOM 961 CG HIS A 60 -4.395 -10.043 13.090 1.00 0.00 C ATOM 962 ND1 HIS A 60 -5.452 -10.673 12.455 1.00 0.00 N ATOM 963 CD2 HIS A 60 -4.943 -9.327 14.099 1.00 0.00 C ATOM 964 CE1 HIS A 60 -6.581 -10.349 13.055 1.00 0.00 C ATOM 965 NE2 HIS A 60 -6.301 -9.535 14.055 1.00 0.00 N ATOM 0 H HIS A 60 -0.019 -11.197 13.066 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.321 -10.685 14.655 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.564 -9.174 12.465 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.945 -10.696 11.685 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.412 -8.708 14.807 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.566 -10.691 12.776 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.983 -9.126 14.693 1.00 0.00 H new ATOM 973 N HIS A 61 -3.339 -12.882 13.111 1.00 0.00 N ATOM 974 CA HIS A 61 -3.629 -14.274 12.770 1.00 0.00 C ATOM 975 C HIS A 61 -2.865 -14.684 11.523 1.00 0.00 C ATOM 976 O HIS A 61 -2.332 -13.840 10.820 1.00 0.00 O ATOM 977 CB HIS A 61 -5.130 -14.512 12.583 1.00 0.00 C ATOM 978 CG HIS A 61 -5.904 -14.573 13.870 1.00 0.00 C ATOM 979 ND1 HIS A 61 -6.158 -15.750 14.536 1.00 0.00 N ATOM 980 CD2 HIS A 61 -6.484 -13.598 14.607 1.00 0.00 C ATOM 981 CE1 HIS A 61 -6.857 -15.502 15.622 1.00 0.00 C ATOM 982 NE2 HIS A 61 -7.070 -14.202 15.694 1.00 0.00 N ATOM 0 H HIS A 61 -4.163 -12.281 13.087 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.301 -14.893 13.605 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.539 -13.715 11.962 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.275 -15.446 12.039 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.486 -12.541 14.383 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.199 -16.238 16.334 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.584 -13.724 16.434 1.00 0.00 H new ATOM 990 N ASP A 62 -2.778 -15.982 11.307 1.00 0.00 N ATOM 991 CA ASP A 62 -1.986 -16.589 10.219 1.00 0.00 C ATOM 992 C ASP A 62 -2.123 -15.860 8.847 1.00 0.00 C ATOM 993 O ASP A 62 -3.100 -15.150 8.585 1.00 0.00 O ATOM 994 CB ASP A 62 -2.419 -18.042 10.056 1.00 0.00 C ATOM 995 CG ASP A 62 -1.470 -18.844 9.196 1.00 0.00 C ATOM 996 OD1 ASP A 62 -0.394 -19.236 9.697 1.00 0.00 O ATOM 997 OD2 ASP A 62 -1.785 -19.087 8.024 1.00 0.00 O ATOM 0 H ASP A 62 -3.260 -16.670 11.886 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.938 -16.503 10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.492 -18.507 11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.415 -18.072 9.615 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.114 -16.112 7.987 1.00 0.00 N ATOM 1003 CA GLU A 63 -0.916 -15.496 6.642 1.00 0.00 C ATOM 1004 C GLU A 63 -2.198 -15.204 5.842 1.00 0.00 C ATOM 1005 O GLU A 63 -2.240 -14.212 5.101 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.038 -16.435 5.807 1.00 0.00 C ATOM 1007 CG GLU A 63 0.271 -15.926 4.412 1.00 0.00 C ATOM 1008 CD GLU A 63 0.959 -16.963 3.565 1.00 0.00 C ATOM 1009 OE1 GLU A 63 0.258 -17.746 2.886 1.00 0.00 O ATOM 1010 OE2 GLU A 63 2.200 -17.008 3.562 1.00 0.00 O ATOM 0 H GLU A 63 -0.377 -16.780 8.214 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.459 -14.525 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.900 -16.602 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.535 -17.402 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.655 -15.619 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.902 -15.040 4.482 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.229 -16.013 5.993 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.462 -15.818 5.216 1.00 0.00 C ATOM 1019 C ASP A 64 -5.027 -14.413 5.413 1.00 0.00 C ATOM 1020 O ASP A 64 -5.449 -13.758 4.457 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.527 -16.849 5.611 1.00 0.00 C ATOM 1022 CG ASP A 64 -5.197 -18.251 5.161 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -5.305 -18.534 3.949 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -4.832 -19.080 6.016 1.00 0.00 O ATOM 0 H ASP A 64 -3.249 -16.805 6.635 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.203 -15.950 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.646 -16.841 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.485 -16.554 5.183 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.028 -13.956 6.647 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.588 -12.658 6.981 1.00 0.00 C ATOM 1031 C VAL A 65 -4.685 -11.477 6.522 1.00 0.00 C ATOM 1032 O VAL A 65 -5.192 -10.413 6.148 1.00 0.00 O ATOM 1033 CB VAL A 65 -5.874 -12.543 8.507 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -4.592 -12.459 9.311 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -6.785 -11.362 8.808 1.00 0.00 C ATOM 0 H VAL A 65 -4.645 -14.466 7.443 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.528 -12.585 6.434 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.392 -13.453 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.832 -12.380 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.996 -13.355 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.025 -11.581 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.967 -11.307 9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.309 -10.441 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.733 -11.491 8.285 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.354 -11.681 6.528 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.406 -10.576 6.274 1.00 0.00 C ATOM 1047 C LEU A 66 -2.558 -9.926 4.896 1.00 0.00 C ATOM 1048 O LEU A 66 -2.701 -8.706 4.808 1.00 0.00 O ATOM 1049 CB LEU A 66 -0.938 -11.017 6.480 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.413 -11.019 7.933 1.00 0.00 C ATOM 1051 CD1 LEU A 66 -0.715 -9.701 8.626 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.978 -12.181 8.713 1.00 0.00 C ATOM 0 H LEU A 66 -2.915 -12.585 6.703 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.665 -9.819 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.825 -12.023 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.299 -10.362 5.888 1.00 0.00 H new ATOM 0 HG LEU A 66 0.670 -11.136 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.334 -9.731 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.235 -8.886 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.793 -9.539 8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.592 -12.157 9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.065 -12.110 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.686 -13.116 8.236 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.554 -10.720 3.830 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.649 -10.157 2.474 1.00 0.00 C ATOM 1066 C PHE A 67 -3.974 -9.434 2.239 1.00 0.00 C ATOM 1067 O PHE A 67 -4.011 -8.405 1.557 1.00 0.00 O ATOM 1068 CB PHE A 67 -2.404 -11.229 1.396 1.00 0.00 C ATOM 1069 CG PHE A 67 -1.010 -11.794 1.411 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.074 -11.017 1.019 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -0.782 -13.098 1.816 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.356 -11.537 1.031 1.00 0.00 C ATOM 1073 CE2 PHE A 67 0.496 -13.621 1.828 1.00 0.00 C ATOM 1074 CZ PHE A 67 1.565 -12.841 1.436 1.00 0.00 C ATOM 0 H PHE A 67 -2.488 -11.737 3.868 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.857 -9.412 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.117 -12.041 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.601 -10.797 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.086 -9.997 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.613 -13.714 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.191 -10.925 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.659 -14.641 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.565 -13.250 1.446 1.00 0.00 H new ATOM 1084 N ASN A 68 -5.054 -9.956 2.813 1.00 0.00 N ATOM 1085 CA ASN A 68 -6.372 -9.338 2.650 1.00 0.00 C ATOM 1086 C ASN A 68 -6.377 -7.922 3.236 1.00 0.00 C ATOM 1087 O ASN A 68 -6.893 -6.985 2.626 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.459 -10.194 3.326 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.855 -9.599 3.179 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -9.539 -9.834 2.184 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.296 -8.854 4.174 1.00 0.00 N ATOM 0 H ASN A 68 -5.047 -10.797 3.390 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.590 -9.277 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.448 -11.195 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.224 -10.301 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.232 -8.452 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.701 -8.680 4.984 1.00 0.00 H new ATOM 1098 N MET A 69 -5.781 -7.772 4.411 1.00 0.00 N ATOM 1099 CA MET A 69 -5.689 -6.464 5.064 1.00 0.00 C ATOM 1100 C MET A 69 -4.765 -5.524 4.285 1.00 0.00 C ATOM 1101 O MET A 69 -5.030 -4.330 4.166 1.00 0.00 O ATOM 1102 CB MET A 69 -5.196 -6.608 6.505 1.00 0.00 C ATOM 1103 CG MET A 69 -6.160 -7.354 7.411 1.00 0.00 C ATOM 1104 SD MET A 69 -5.612 -7.411 9.132 1.00 0.00 S ATOM 1105 CE MET A 69 -4.144 -8.423 8.993 1.00 0.00 C ATOM 0 H MET A 69 -5.353 -8.536 4.935 1.00 0.00 H new ATOM 0 HA MET A 69 -6.689 -6.031 5.079 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.239 -7.129 6.501 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.017 -5.616 6.919 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.139 -6.876 7.363 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.284 -8.372 7.041 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.825 -8.740 9.986 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.363 -9.301 8.385 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.348 -7.846 8.523 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.691 -6.086 3.755 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.679 -5.313 3.033 1.00 0.00 C ATOM 1117 C CYS A 70 -3.244 -4.605 1.789 1.00 0.00 C ATOM 1118 O CYS A 70 -2.928 -3.440 1.543 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.494 -6.204 2.642 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.566 -6.859 4.052 1.00 0.00 S ATOM 0 H CYS A 70 -3.491 -7.085 3.809 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.337 -4.536 3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.862 -7.038 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.816 -5.632 2.009 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.240 -7.824 4.604 1.00 0.00 H new ATOM 1126 N THR A 71 -4.099 -5.282 1.028 1.00 0.00 N ATOM 1127 CA THR A 71 -4.629 -4.694 -0.199 1.00 0.00 C ATOM 1128 C THR A 71 -5.661 -3.591 0.099 1.00 0.00 C ATOM 1129 O THR A 71 -5.649 -2.528 -0.531 1.00 0.00 O ATOM 1130 CB THR A 71 -5.236 -5.776 -1.150 1.00 0.00 C ATOM 1131 OG1 THR A 71 -5.736 -5.164 -2.345 1.00 0.00 O ATOM 1132 CG2 THR A 71 -6.359 -6.555 -0.473 1.00 0.00 C ATOM 0 H THR A 71 -4.436 -6.223 1.234 1.00 0.00 H new ATOM 0 HA THR A 71 -3.786 -4.235 -0.715 1.00 0.00 H new ATOM 0 HB THR A 71 -4.437 -6.474 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.378 -5.765 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.756 -7.298 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.971 -7.056 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.154 -5.869 -0.183 1.00 0.00 H new ATOM 1140 N ASP A 72 -6.522 -3.841 1.079 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.576 -2.896 1.454 1.00 0.00 C ATOM 1142 C ASP A 72 -6.995 -1.611 2.034 1.00 0.00 C ATOM 1143 O ASP A 72 -7.554 -0.523 1.860 1.00 0.00 O ATOM 1144 CB ASP A 72 -8.539 -3.532 2.455 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.722 -2.638 2.756 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -10.626 -2.536 1.902 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.757 -2.030 3.845 1.00 0.00 O ATOM 0 H ASP A 72 -6.513 -4.697 1.634 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.124 -2.641 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.896 -4.483 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.006 -3.751 3.380 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.855 -1.746 2.689 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.250 -0.608 3.371 1.00 0.00 C ATOM 1154 C TRP A 73 -4.604 0.318 2.329 1.00 0.00 C ATOM 1155 O TRP A 73 -4.735 1.545 2.373 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.240 -1.054 4.428 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.857 0.050 5.365 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.540 0.450 6.479 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.705 0.892 5.277 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.889 1.496 7.079 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.756 1.783 6.363 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.638 0.980 4.385 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.780 2.747 6.579 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.667 1.936 4.602 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.744 2.807 5.690 1.00 0.00 C ATOM 0 H TRP A 73 -5.333 -2.619 2.765 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.028 -0.060 3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.661 -1.881 5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.345 -1.431 3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.458 0.007 6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.197 1.982 7.921 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.572 0.312 3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.838 3.424 7.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.166 2.012 3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.032 3.544 5.832 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.931 -0.326 1.376 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.238 0.367 0.287 1.00 0.00 C ATOM 1178 C LEU A 74 -4.246 1.047 -0.649 1.00 0.00 C ATOM 1179 O LEU A 74 -4.062 2.184 -1.067 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.331 -0.593 -0.501 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.983 -0.955 0.161 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.242 -1.986 -0.677 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -0.124 0.293 0.340 1.00 0.00 C ATOM 0 H LEU A 74 -3.850 -1.342 1.336 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.604 1.134 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.883 -1.516 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.126 -0.149 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.185 -1.382 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.706 -2.231 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.848 -2.888 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.052 -1.579 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.822 0.020 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.069 0.744 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.649 1.008 0.974 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.333 0.334 -0.929 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.406 0.823 -1.812 1.00 0.00 C ATOM 1197 C ASN A 75 -7.071 2.064 -1.230 1.00 0.00 C ATOM 1198 O ASN A 75 -7.441 2.993 -1.952 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.457 -0.275 -2.038 1.00 0.00 C ATOM 1200 CG ASN A 75 -8.637 0.197 -2.875 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -8.577 0.203 -4.103 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -9.725 0.567 -2.218 1.00 0.00 N ATOM 0 H ASN A 75 -5.502 -0.599 -0.554 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.956 1.089 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.986 -1.126 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.821 -0.627 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.552 0.871 -2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.736 0.548 -1.198 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.185 2.069 0.081 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.844 3.129 0.838 1.00 0.00 C ATOM 1211 C HIS A 76 -7.266 4.536 0.567 1.00 0.00 C ATOM 1212 O HIS A 76 -8.012 5.495 0.427 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.774 2.770 2.346 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.609 3.933 3.287 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.604 4.851 3.548 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.534 4.317 4.028 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.161 5.752 4.401 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.903 5.452 4.713 1.00 0.00 N ATOM 0 H HIS A 76 -6.816 1.322 0.670 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.881 3.185 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.684 2.234 2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.942 2.082 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.574 3.825 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.723 6.591 4.782 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.309 5.977 5.355 1.00 0.00 H new ATOM 1226 N MET A 77 -5.960 4.654 0.495 1.00 0.00 N ATOM 1227 CA MET A 77 -5.337 5.974 0.339 1.00 0.00 C ATOM 1228 C MET A 77 -5.424 6.530 -1.087 1.00 0.00 C ATOM 1229 O MET A 77 -5.335 7.742 -1.284 1.00 0.00 O ATOM 1230 CB MET A 77 -3.894 5.972 0.843 1.00 0.00 C ATOM 1231 CG MET A 77 -3.010 4.893 0.241 1.00 0.00 C ATOM 1232 SD MET A 77 -1.339 4.924 0.915 1.00 0.00 S ATOM 1233 CE MET A 77 -1.674 4.626 2.651 1.00 0.00 C ATOM 0 H MET A 77 -5.306 3.873 0.540 1.00 0.00 H new ATOM 0 HA MET A 77 -5.921 6.652 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.449 6.945 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.903 5.852 1.926 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.456 3.916 0.426 1.00 0.00 H new ATOM 0 HG3 MET A 77 -2.966 5.024 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.737 4.439 3.176 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.164 5.499 3.082 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.325 3.758 2.752 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.609 5.656 -2.071 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.638 6.088 -3.474 1.00 0.00 C ATOM 1245 C TYR A 78 -6.740 7.102 -3.783 1.00 0.00 C ATOM 1246 O TYR A 78 -6.477 8.117 -4.427 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.750 4.896 -4.428 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.451 4.163 -4.651 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.482 4.684 -5.498 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -4.191 2.956 -4.026 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.295 4.023 -5.714 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -3.001 2.285 -4.237 1.00 0.00 C ATOM 1253 CZ TYR A 78 -2.059 2.824 -5.082 1.00 0.00 C ATOM 1254 OH TYR A 78 -0.879 2.160 -5.300 1.00 0.00 O ATOM 0 H TYR A 78 -5.740 4.654 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.685 6.592 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.487 4.196 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.126 5.247 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.663 5.625 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.930 2.531 -3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.552 4.443 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.812 1.344 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.054 1.340 -5.807 1.00 0.00 H new ATOM 1264 N ASP A 79 -7.962 6.843 -3.332 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.081 7.742 -3.655 1.00 0.00 C ATOM 1266 C ASP A 79 -8.952 9.086 -2.940 1.00 0.00 C ATOM 1267 O ASP A 79 -9.243 10.137 -3.515 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.444 7.094 -3.335 1.00 0.00 C ATOM 1269 CG ASP A 79 -10.707 6.941 -1.849 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -10.290 5.927 -1.270 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -11.341 7.842 -1.257 1.00 0.00 O ATOM 0 H ASP A 79 -8.208 6.039 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.035 7.924 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.237 7.698 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.491 6.113 -3.807 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.527 9.044 -1.689 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.367 10.254 -0.891 1.00 0.00 C ATOM 1278 C GLN A 80 -7.368 11.236 -1.517 1.00 0.00 C ATOM 1279 O GLN A 80 -7.603 12.440 -1.526 1.00 0.00 O ATOM 1280 CB GLN A 80 -7.965 9.908 0.539 1.00 0.00 C ATOM 1281 CG GLN A 80 -7.943 11.108 1.467 1.00 0.00 C ATOM 1282 CD GLN A 80 -7.663 10.734 2.901 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -6.945 9.772 3.181 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -8.234 11.483 3.819 1.00 0.00 N ATOM 0 H GLN A 80 -8.285 8.183 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.335 10.755 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.659 9.166 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.977 9.448 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.184 11.812 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.903 11.622 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.821 12.270 3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.090 11.277 4.807 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.278 10.723 -2.070 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.261 11.587 -2.682 1.00 0.00 C ATOM 1295 C LEU A 81 -5.695 12.046 -4.081 1.00 0.00 C ATOM 1296 O LEU A 81 -5.051 12.887 -4.705 1.00 0.00 O ATOM 1297 CB LEU A 81 -3.909 10.872 -2.740 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.292 10.522 -1.380 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.012 9.724 -1.559 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.021 11.783 -0.574 1.00 0.00 C ATOM 0 H LEU A 81 -6.070 9.725 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.153 12.474 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.027 9.953 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.207 11.501 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.006 9.908 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.592 9.487 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.231 8.800 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.293 10.312 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.583 11.513 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.329 12.423 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.956 12.318 -0.410 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.785 11.483 -4.549 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.348 11.862 -5.843 1.00 0.00 C ATOM 1314 C LYS A 82 -8.309 13.033 -5.717 1.00 0.00 C ATOM 1315 O LYS A 82 -8.665 13.674 -6.707 1.00 0.00 O ATOM 1316 CB LYS A 82 -7.995 10.685 -6.553 1.00 0.00 C ATOM 1317 CG LYS A 82 -6.985 9.729 -7.144 1.00 0.00 C ATOM 1318 CD LYS A 82 -7.649 8.579 -7.849 1.00 0.00 C ATOM 1319 CE LYS A 82 -6.617 7.708 -8.544 1.00 0.00 C ATOM 1320 NZ LYS A 82 -5.837 8.491 -9.542 1.00 0.00 N ATOM 0 H LYS A 82 -7.308 10.758 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.514 12.189 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.629 10.146 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.643 11.057 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.345 10.264 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.340 9.347 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.212 7.982 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.364 8.958 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.940 7.280 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.115 6.875 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.409 7.843 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.469 9.155 -10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.087 9.023 -9.056 1.00 0.00 H new ATOM 1334 N ASP A 83 -8.725 13.307 -4.492 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.668 14.393 -4.214 1.00 0.00 C ATOM 1336 C ASP A 83 -9.023 15.773 -4.383 1.00 0.00 C ATOM 1337 O ASP A 83 -9.710 16.765 -4.644 1.00 0.00 O ATOM 1338 CB ASP A 83 -10.251 14.251 -2.807 1.00 0.00 C ATOM 1339 CG ASP A 83 -11.334 15.271 -2.527 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -12.402 15.199 -3.175 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -11.134 16.139 -1.659 1.00 0.00 O ATOM 0 H ASP A 83 -8.426 12.792 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.473 14.315 -4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.660 13.248 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.453 14.361 -2.073 1.00 0.00 H new