USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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 55 LYS NZ :NH3+ 153:sc= -3.08! (180deg=-2) USER MOD Set 1.2: A 56 ASN : amide:sc= -1.73! C(o=-4.8!,f=-6!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -157:sc= 0.639 (180deg=0.371) USER MOD Set 2.2: A 16 LYS NZ :NH3+ 172:sc= -0.164 (180deg=-0.306) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -130:sc= -6.18! USER MOD Single : A 22 GLN : amide:sc= -19.8! C(o=-20!,f=-17!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.206 USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -1.06 (180deg=-9.64!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.15) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.79 USER MOD Single : A 38 SER OG : rot -170:sc= 0.103 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0108 (180deg=-0.272) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 32:sc= 1.13 USER MOD Single : A 45 THR OG1 : rot 153:sc= -5.18! USER MOD Single : A 62 SER OG : rot 110:sc= -0.311 USER MOD Single : A 67 GLN : amide:sc= -6.8! K(o=-6.8!,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -15.728 1.307 -3.097 1.00 0.00 N ATOM 66 CA GLU A 4 -14.891 2.290 -2.361 1.00 0.00 C ATOM 67 C GLU A 4 -14.276 1.623 -1.139 1.00 0.00 C ATOM 68 O GLU A 4 -13.975 2.273 -0.170 1.00 0.00 O ATOM 69 CB GLU A 4 -15.763 3.464 -1.910 1.00 0.00 C ATOM 70 CG GLU A 4 -16.654 3.915 -3.069 1.00 0.00 C ATOM 71 CD GLU A 4 -18.075 3.388 -2.855 1.00 0.00 C ATOM 72 OE1 GLU A 4 -18.701 3.800 -1.892 1.00 0.00 O ATOM 73 OE2 GLU A 4 -18.514 2.582 -3.659 1.00 0.00 O ATOM 0 HA GLU A 4 -14.098 2.652 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.377 3.168 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.135 4.290 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.664 5.003 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.256 3.545 -4.014 1.00 0.00 H new ATOM 80 N GLU A 5 -14.076 0.336 -1.164 1.00 0.00 N ATOM 81 CA GLU A 5 -13.473 -0.321 0.010 1.00 0.00 C ATOM 82 C GLU A 5 -11.967 -0.021 0.013 1.00 0.00 C ATOM 83 O GLU A 5 -11.237 -0.462 0.879 1.00 0.00 O ATOM 84 CB GLU A 5 -13.739 -1.834 -0.084 1.00 0.00 C ATOM 85 CG GLU A 5 -12.576 -2.622 0.518 1.00 0.00 C ATOM 86 CD GLU A 5 -12.998 -4.075 0.739 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.099 -4.285 1.220 1.00 0.00 O ATOM 88 OE2 GLU A 5 -12.212 -4.954 0.425 1.00 0.00 O ATOM 0 H GLU A 5 -14.305 -0.280 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.906 0.050 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.662 -2.080 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.879 -2.120 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.713 -2.581 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.271 -2.174 1.464 1.00 0.00 H new ATOM 95 N LEU A 6 -11.495 0.727 -0.954 1.00 0.00 N ATOM 96 CA LEU A 6 -10.042 1.048 -1.005 1.00 0.00 C ATOM 97 C LEU A 6 -9.749 2.199 -0.072 1.00 0.00 C ATOM 98 O LEU A 6 -8.796 2.177 0.677 1.00 0.00 O ATOM 99 CB LEU A 6 -9.630 1.425 -2.440 1.00 0.00 C ATOM 100 CG LEU A 6 -9.803 0.247 -3.427 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.588 -0.912 -2.799 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.557 0.745 -4.662 1.00 0.00 C ATOM 0 H LEU A 6 -12.055 1.127 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.473 0.172 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.229 2.271 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.590 1.750 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.812 -0.121 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.688 -1.719 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.057 -1.277 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.578 -0.564 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.685 -0.077 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.535 1.123 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.989 1.544 -5.137 1.00 0.00 H new ATOM 114 N LYS A 7 -10.556 3.203 -0.100 1.00 0.00 N ATOM 115 CA LYS A 7 -10.320 4.338 0.800 1.00 0.00 C ATOM 116 C LYS A 7 -10.452 3.852 2.245 1.00 0.00 C ATOM 117 O LYS A 7 -9.869 4.399 3.159 1.00 0.00 O ATOM 118 CB LYS A 7 -11.374 5.385 0.452 1.00 0.00 C ATOM 119 CG LYS A 7 -11.958 6.055 1.709 1.00 0.00 C ATOM 120 CD LYS A 7 -12.932 5.101 2.443 1.00 0.00 C ATOM 121 CE LYS A 7 -13.712 4.230 1.458 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.081 3.996 1.995 1.00 0.00 N ATOM 0 H LYS A 7 -11.370 3.286 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.324 4.768 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.931 6.145 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.178 4.916 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.150 6.343 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.481 6.969 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.372 4.465 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.629 5.684 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.768 4.719 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.199 3.280 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.618 3.404 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.016 3.513 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.567 4.908 2.117 1.00 0.00 H new ATOM 136 N GLY A 8 -11.250 2.843 2.449 1.00 0.00 N ATOM 137 CA GLY A 8 -11.475 2.317 3.830 1.00 0.00 C ATOM 138 C GLY A 8 -10.346 1.368 4.232 1.00 0.00 C ATOM 139 O GLY A 8 -10.534 0.173 4.340 1.00 0.00 O ATOM 0 H GLY A 8 -11.762 2.354 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.531 3.145 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.431 1.795 3.875 1.00 0.00 H new ATOM 143 N ILE A 9 -9.177 1.892 4.454 1.00 0.00 N ATOM 144 CA ILE A 9 -8.033 1.035 4.848 1.00 0.00 C ATOM 145 C ILE A 9 -6.778 1.888 4.794 1.00 0.00 C ATOM 146 O ILE A 9 -6.315 2.401 5.784 1.00 0.00 O ATOM 147 CB ILE A 9 -7.927 -0.158 3.876 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.499 -0.719 3.844 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.351 0.241 2.458 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.461 -2.034 4.623 1.00 0.00 C ATOM 0 H ILE A 9 -8.964 2.887 4.378 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.167 0.639 5.855 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.604 -0.931 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.182 -0.883 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.804 -0.003 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.265 -0.621 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.385 0.587 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.705 1.041 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.449 -2.439 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.761 -1.854 5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.146 -2.748 4.165 1.00 0.00 H new ATOM 162 N PHE A 10 -6.257 2.049 3.626 1.00 0.00 N ATOM 163 CA PHE A 10 -5.035 2.887 3.426 1.00 0.00 C ATOM 164 C PHE A 10 -5.102 4.119 4.318 1.00 0.00 C ATOM 165 O PHE A 10 -4.353 4.272 5.261 1.00 0.00 O ATOM 166 CB PHE A 10 -5.041 3.353 1.984 1.00 0.00 C ATOM 167 CG PHE A 10 -3.880 4.280 1.720 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.997 5.646 1.999 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.689 3.774 1.185 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.926 6.507 1.743 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.617 4.636 0.930 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.736 6.002 1.209 1.00 0.00 C ATOM 0 H PHE A 10 -6.627 1.630 2.773 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.141 2.312 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.985 2.492 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.978 3.864 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.916 6.036 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.598 2.720 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.017 7.562 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.698 4.247 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.908 6.667 1.012 1.00 0.00 H new ATOM 182 N GLU A 11 -5.992 5.003 3.996 1.00 0.00 N ATOM 183 CA GLU A 11 -6.139 6.261 4.785 1.00 0.00 C ATOM 184 C GLU A 11 -5.988 5.972 6.285 1.00 0.00 C ATOM 185 O GLU A 11 -5.335 6.705 7.000 1.00 0.00 O ATOM 186 CB GLU A 11 -7.517 6.871 4.517 1.00 0.00 C ATOM 187 CG GLU A 11 -7.719 8.100 5.408 1.00 0.00 C ATOM 188 CD GLU A 11 -7.046 9.315 4.765 1.00 0.00 C ATOM 189 OE1 GLU A 11 -7.326 9.579 3.607 1.00 0.00 O ATOM 190 OE2 GLU A 11 -6.266 9.964 5.443 1.00 0.00 O ATOM 0 H GLU A 11 -6.636 4.913 3.210 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.360 6.961 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.603 7.153 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.296 6.135 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.783 8.291 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.297 7.919 6.397 1.00 0.00 H new ATOM 197 N LYS A 12 -6.592 4.921 6.773 1.00 0.00 N ATOM 198 CA LYS A 12 -6.480 4.611 8.228 1.00 0.00 C ATOM 199 C LYS A 12 -5.035 4.216 8.559 1.00 0.00 C ATOM 200 O LYS A 12 -4.493 4.599 9.576 1.00 0.00 O ATOM 201 CB LYS A 12 -7.465 3.477 8.587 1.00 0.00 C ATOM 202 CG LYS A 12 -6.730 2.154 8.854 1.00 0.00 C ATOM 203 CD LYS A 12 -5.998 2.235 10.196 1.00 0.00 C ATOM 204 CE LYS A 12 -6.642 1.272 11.196 1.00 0.00 C ATOM 205 NZ LYS A 12 -5.892 -0.017 11.196 1.00 0.00 N ATOM 0 H LYS A 12 -7.155 4.267 6.230 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.737 5.490 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.040 3.759 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.177 3.341 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.440 1.327 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.019 1.953 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.946 1.985 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.037 3.254 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.636 1.709 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.685 1.099 10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.509 -0.778 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.583 -0.239 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.060 0.065 11.815 1.00 0.00 H new ATOM 219 N TYR A 13 -4.413 3.444 7.708 1.00 0.00 N ATOM 220 CA TYR A 13 -3.014 3.014 7.970 1.00 0.00 C ATOM 221 C TYR A 13 -2.068 4.198 7.811 1.00 0.00 C ATOM 222 O TYR A 13 -0.872 4.081 7.994 1.00 0.00 O ATOM 223 CB TYR A 13 -2.642 1.881 7.017 1.00 0.00 C ATOM 224 CG TYR A 13 -3.104 0.601 7.650 1.00 0.00 C ATOM 225 CD1 TYR A 13 -4.430 0.189 7.496 1.00 0.00 C ATOM 226 CD2 TYR A 13 -2.219 -0.150 8.425 1.00 0.00 C ATOM 227 CE1 TYR A 13 -4.871 -0.982 8.117 1.00 0.00 C ATOM 228 CE2 TYR A 13 -2.659 -1.320 9.052 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.986 -1.738 8.897 1.00 0.00 C ATOM 230 OH TYR A 13 -4.425 -2.891 9.515 1.00 0.00 O ATOM 0 H TYR A 13 -4.818 3.093 6.840 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.928 2.648 8.993 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.116 2.023 6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.566 1.859 6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.113 0.775 6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.195 0.172 8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.895 -1.305 7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.976 -1.900 9.655 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.169 -2.873 10.461 1.00 0.00 H new ATOM 240 N ASP A 15 -2.601 5.347 7.519 1.00 0.00 N ATOM 241 CA ASP A 15 -1.769 6.553 7.403 1.00 0.00 C ATOM 242 C ASP A 15 -1.651 7.145 8.809 1.00 0.00 C ATOM 243 O ASP A 15 -1.820 8.330 9.009 1.00 0.00 O ATOM 244 CB ASP A 15 -2.482 7.540 6.481 1.00 0.00 C ATOM 245 CG ASP A 15 -1.456 8.255 5.601 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.843 9.195 6.084 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.300 7.854 4.460 1.00 0.00 O ATOM 0 H ASP A 15 -3.597 5.496 7.354 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.782 6.333 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.206 7.014 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.039 8.267 7.072 1.00 0.00 H new ATOM 252 N LYS A 16 -1.390 6.311 9.789 1.00 0.00 N ATOM 253 CA LYS A 16 -1.286 6.800 11.190 1.00 0.00 C ATOM 254 C LYS A 16 0.081 7.460 11.389 1.00 0.00 C ATOM 255 O LYS A 16 0.971 6.908 12.006 1.00 0.00 O ATOM 256 CB LYS A 16 -1.437 5.623 12.174 1.00 0.00 C ATOM 257 CG LYS A 16 -2.234 4.464 11.540 1.00 0.00 C ATOM 258 CD LYS A 16 -1.295 3.289 11.270 1.00 0.00 C ATOM 259 CE LYS A 16 -1.693 2.106 12.156 1.00 0.00 C ATOM 260 NZ LYS A 16 -2.911 1.452 11.599 1.00 0.00 N ATOM 0 H LYS A 16 -1.245 5.308 9.672 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.079 7.523 11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.451 5.268 12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.942 5.964 13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.039 4.155 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.699 4.793 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.345 3.003 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.264 3.579 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.875 1.388 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.885 2.448 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.102 0.572 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.724 2.094 11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.759 1.233 10.594 1.00 0.00 H new ATOM 274 N GLU A 17 0.246 8.643 10.865 1.00 0.00 N ATOM 275 CA GLU A 17 1.542 9.366 11.004 1.00 0.00 C ATOM 276 C GLU A 17 1.288 10.868 10.849 1.00 0.00 C ATOM 277 O GLU A 17 1.618 11.658 11.711 1.00 0.00 O ATOM 278 CB GLU A 17 2.508 8.901 9.911 1.00 0.00 C ATOM 279 CG GLU A 17 3.872 9.564 10.120 1.00 0.00 C ATOM 280 CD GLU A 17 4.384 10.113 8.787 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.756 9.315 7.942 1.00 0.00 O ATOM 282 OE2 GLU A 17 4.395 11.324 8.633 1.00 0.00 O ATOM 0 H GLU A 17 -0.470 9.145 10.340 1.00 0.00 H new ATOM 0 HA GLU A 17 1.977 9.159 11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.611 7.816 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.113 9.158 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.788 10.370 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.581 8.841 10.524 1.00 0.00 H new ATOM 289 N GLY A 18 0.690 11.260 9.757 1.00 0.00 N ATOM 290 CA GLY A 18 0.394 12.698 9.537 1.00 0.00 C ATOM 291 C GLY A 18 1.028 13.194 8.231 1.00 0.00 C ATOM 292 O GLY A 18 1.666 14.229 8.207 1.00 0.00 O ATOM 0 H GLY A 18 0.393 10.639 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.685 12.850 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.772 13.284 10.375 1.00 0.00 H new ATOM 296 N ASP A 19 0.864 12.487 7.138 1.00 0.00 N ATOM 297 CA ASP A 19 1.473 12.973 5.867 1.00 0.00 C ATOM 298 C ASP A 19 0.459 12.858 4.704 1.00 0.00 C ATOM 299 O ASP A 19 0.391 13.727 3.858 1.00 0.00 O ATOM 300 CB ASP A 19 2.770 12.182 5.592 1.00 0.00 C ATOM 301 CG ASP A 19 2.730 11.514 4.216 1.00 0.00 C ATOM 302 OD1 ASP A 19 2.670 12.236 3.236 1.00 0.00 O ATOM 303 OD2 ASP A 19 2.756 10.295 4.169 1.00 0.00 O ATOM 0 H ASP A 19 0.345 11.612 7.074 1.00 0.00 H new ATOM 0 HA ASP A 19 1.732 14.028 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.627 12.853 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.907 11.424 6.363 1.00 0.00 H new ATOM 308 N GLY A 20 -0.327 11.808 4.649 1.00 0.00 N ATOM 309 CA GLY A 20 -1.315 11.678 3.538 1.00 0.00 C ATOM 310 C GLY A 20 -1.011 10.421 2.719 1.00 0.00 C ATOM 311 O GLY A 20 -1.885 9.834 2.113 1.00 0.00 O ATOM 0 H GLY A 20 -0.325 11.042 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.326 11.624 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.274 12.559 2.898 1.00 0.00 H new ATOM 315 N GLN A 22 0.225 10.011 2.695 1.00 0.00 N ATOM 316 CA GLN A 22 0.604 8.804 1.923 1.00 0.00 C ATOM 317 C GLN A 22 1.480 7.906 2.794 1.00 0.00 C ATOM 318 O GLN A 22 1.699 8.183 3.956 1.00 0.00 O ATOM 319 CB GLN A 22 1.368 9.239 0.665 1.00 0.00 C ATOM 320 CG GLN A 22 2.496 10.187 1.068 1.00 0.00 C ATOM 321 CD GLN A 22 3.679 9.387 1.630 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.334 9.822 2.554 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.991 8.232 1.106 1.00 0.00 N ATOM 0 H GLN A 22 0.995 10.468 3.184 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.286 8.248 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.775 8.368 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.692 9.734 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.818 10.770 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.138 10.895 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.445 7.860 0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.781 7.702 1.474 1.00 0.00 H new ATOM 332 N LEU A 23 1.960 6.816 2.262 1.00 0.00 N ATOM 333 CA LEU A 23 2.784 5.906 3.082 1.00 0.00 C ATOM 334 C LEU A 23 4.196 5.789 2.554 1.00 0.00 C ATOM 335 O LEU A 23 4.405 5.434 1.411 1.00 0.00 O ATOM 336 CB LEU A 23 2.259 4.486 2.968 1.00 0.00 C ATOM 337 CG LEU A 23 0.765 4.393 3.184 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.328 3.039 2.625 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.462 4.445 4.684 1.00 0.00 C ATOM 0 H LEU A 23 1.814 6.523 1.296 1.00 0.00 H new ATOM 0 HA LEU A 23 2.753 6.315 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.504 4.091 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.767 3.856 3.699 1.00 0.00 H new ATOM 0 HG LEU A 23 0.241 5.214 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.748 2.921 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.572 2.988 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.848 2.241 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.615 4.378 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.954 3.610 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.831 5.384 5.097 1.00 0.00 H new ATOM 351 N SER A 24 5.164 5.908 3.398 1.00 0.00 N ATOM 352 CA SER A 24 6.521 5.600 2.923 1.00 0.00 C ATOM 353 C SER A 24 6.473 4.079 2.949 1.00 0.00 C ATOM 354 O SER A 24 5.539 3.539 3.509 1.00 0.00 O ATOM 355 CB SER A 24 7.574 6.133 3.898 1.00 0.00 C ATOM 356 OG SER A 24 8.569 5.139 4.108 1.00 0.00 O ATOM 0 H SER A 24 5.080 6.198 4.372 1.00 0.00 H new ATOM 0 HA SER A 24 6.784 6.036 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.029 7.040 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.106 6.401 4.845 1.00 0.00 H new ATOM 0 HG SER A 24 9.245 5.479 4.731 1.00 0.00 H new ATOM 362 N LYS A 25 7.365 3.340 2.379 1.00 0.00 N ATOM 363 CA LYS A 25 7.137 1.873 2.486 1.00 0.00 C ATOM 364 C LYS A 25 7.141 1.440 3.953 1.00 0.00 C ATOM 365 O LYS A 25 6.788 0.329 4.273 1.00 0.00 O ATOM 366 CB LYS A 25 8.130 1.055 1.668 1.00 0.00 C ATOM 367 CG LYS A 25 7.392 0.527 0.444 1.00 0.00 C ATOM 368 CD LYS A 25 7.143 -0.976 0.603 1.00 0.00 C ATOM 369 CE LYS A 25 8.473 -1.729 0.682 1.00 0.00 C ATOM 370 NZ LYS A 25 8.200 -3.153 1.018 1.00 0.00 N ATOM 0 H LYS A 25 8.194 3.652 1.873 1.00 0.00 H new ATOM 0 HA LYS A 25 6.155 1.671 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.978 1.670 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.528 0.231 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.444 1.052 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.978 0.716 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.558 -1.161 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.557 -1.346 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.002 -1.660 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.117 -1.280 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.779 -3.434 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.193 -3.268 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.437 -3.754 0.203 1.00 0.00 H new ATOM 384 N GLU A 26 7.490 2.312 4.860 1.00 0.00 N ATOM 385 CA GLU A 26 7.440 1.921 6.292 1.00 0.00 C ATOM 386 C GLU A 26 5.959 1.792 6.676 1.00 0.00 C ATOM 387 O GLU A 26 5.571 0.921 7.427 1.00 0.00 O ATOM 388 CB GLU A 26 8.110 2.998 7.152 1.00 0.00 C ATOM 389 CG GLU A 26 9.301 2.391 7.896 1.00 0.00 C ATOM 390 CD GLU A 26 10.598 3.019 7.383 1.00 0.00 C ATOM 391 OE1 GLU A 26 10.591 3.520 6.270 1.00 0.00 O ATOM 392 OE2 GLU A 26 11.577 2.986 8.110 1.00 0.00 O ATOM 0 H GLU A 26 7.803 3.265 4.673 1.00 0.00 H new ATOM 0 HA GLU A 26 7.966 0.981 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.443 3.824 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.393 3.407 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.200 2.564 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.324 1.311 7.748 1.00 0.00 H new ATOM 399 N GLU A 27 5.135 2.663 6.143 1.00 0.00 N ATOM 400 CA GLU A 27 3.669 2.623 6.435 1.00 0.00 C ATOM 401 C GLU A 27 2.965 1.662 5.463 1.00 0.00 C ATOM 402 O GLU A 27 1.936 1.096 5.781 1.00 0.00 O ATOM 403 CB GLU A 27 3.089 4.030 6.280 1.00 0.00 C ATOM 404 CG GLU A 27 3.625 4.927 7.397 1.00 0.00 C ATOM 405 CD GLU A 27 3.903 6.323 6.839 1.00 0.00 C ATOM 406 OE1 GLU A 27 2.971 7.107 6.765 1.00 0.00 O ATOM 407 OE2 GLU A 27 5.044 6.585 6.493 1.00 0.00 O ATOM 0 H GLU A 27 5.422 3.409 5.510 1.00 0.00 H new ATOM 0 HA GLU A 27 3.512 2.270 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.359 4.441 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.000 3.993 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.901 4.986 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.538 4.501 7.813 1.00 0.00 H new ATOM 414 N LEU A 28 3.503 1.462 4.283 1.00 0.00 N ATOM 415 CA LEU A 28 2.845 0.527 3.319 1.00 0.00 C ATOM 416 C LEU A 28 3.142 -0.916 3.737 1.00 0.00 C ATOM 417 O LEU A 28 2.240 -1.683 3.988 1.00 0.00 O ATOM 418 CB LEU A 28 3.364 0.774 1.900 1.00 0.00 C ATOM 419 CG LEU A 28 2.700 -0.210 0.935 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.752 0.551 0.003 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.775 -0.913 0.101 1.00 0.00 C ATOM 0 H LEU A 28 4.361 1.902 3.949 1.00 0.00 H new ATOM 0 HA LEU A 28 1.769 0.699 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.149 1.799 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.447 0.653 1.871 1.00 0.00 H new ATOM 0 HG LEU A 28 2.137 -0.951 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.278 -0.149 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.986 1.053 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.316 1.291 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.302 -1.614 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.338 -0.172 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.452 -1.454 0.762 1.00 0.00 H new ATOM 433 N LYS A 29 4.398 -1.286 3.832 1.00 0.00 N ATOM 434 CA LYS A 29 4.752 -2.670 4.252 1.00 0.00 C ATOM 435 C LYS A 29 3.803 -3.136 5.354 1.00 0.00 C ATOM 436 O LYS A 29 3.528 -4.309 5.501 1.00 0.00 O ATOM 437 CB LYS A 29 6.172 -2.658 4.810 1.00 0.00 C ATOM 438 CG LYS A 29 7.072 -3.506 3.927 1.00 0.00 C ATOM 439 CD LYS A 29 7.667 -4.623 4.767 1.00 0.00 C ATOM 440 CE LYS A 29 9.092 -4.250 5.176 1.00 0.00 C ATOM 441 NZ LYS A 29 9.915 -5.486 5.299 1.00 0.00 N ATOM 0 H LYS A 29 5.195 -0.681 3.634 1.00 0.00 H new ATOM 0 HA LYS A 29 4.676 -3.341 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.548 -1.636 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.177 -3.044 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.503 -3.921 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.865 -2.894 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.055 -4.791 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.672 -5.555 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.531 -3.581 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.080 -3.713 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.884 -5.231 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.500 -6.109 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.936 -5.981 4.385 1.00 0.00 H new ATOM 455 N LEU A 30 3.303 -2.218 6.124 1.00 0.00 N ATOM 456 CA LEU A 30 2.368 -2.587 7.220 1.00 0.00 C ATOM 457 C LEU A 30 0.991 -2.865 6.616 1.00 0.00 C ATOM 458 O LEU A 30 0.401 -3.905 6.830 1.00 0.00 O ATOM 459 CB LEU A 30 2.273 -1.424 8.216 1.00 0.00 C ATOM 460 CG LEU A 30 3.615 -0.684 8.279 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.543 0.414 9.340 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.725 -1.673 8.647 1.00 0.00 C ATOM 0 H LEU A 30 3.502 -1.221 6.043 1.00 0.00 H new ATOM 0 HA LEU A 30 2.727 -3.475 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.482 -0.737 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.008 -1.800 9.204 1.00 0.00 H new ATOM 0 HG LEU A 30 3.830 -0.238 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.497 0.940 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.752 1.118 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.329 -0.032 10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.679 -1.148 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.509 -2.117 9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.778 -2.458 7.893 1.00 0.00 H new ATOM 474 N LEU A 31 0.482 -1.936 5.857 1.00 0.00 N ATOM 475 CA LEU A 31 -0.854 -2.115 5.219 1.00 0.00 C ATOM 476 C LEU A 31 -0.901 -3.439 4.444 1.00 0.00 C ATOM 477 O LEU A 31 -1.931 -4.080 4.365 1.00 0.00 O ATOM 478 CB LEU A 31 -1.093 -0.957 4.248 1.00 0.00 C ATOM 479 CG LEU A 31 -2.445 -1.129 3.557 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.521 -0.402 4.361 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.377 -0.532 2.148 1.00 0.00 C ATOM 0 H LEU A 31 0.940 -1.049 5.648 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.623 -2.130 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.067 -0.009 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.296 -0.924 3.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.689 -2.190 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.486 -0.523 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.570 -0.821 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.276 0.658 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.341 -0.654 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.135 0.529 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.607 -1.045 1.572 1.00 0.00 H new ATOM 493 N LEU A 32 0.193 -3.847 3.861 1.00 0.00 N ATOM 494 CA LEU A 32 0.201 -5.113 3.082 1.00 0.00 C ATOM 495 C LEU A 32 0.340 -6.312 4.025 1.00 0.00 C ATOM 496 O LEU A 32 -0.423 -7.256 3.962 1.00 0.00 O ATOM 497 CB LEU A 32 1.379 -5.090 2.109 1.00 0.00 C ATOM 498 CG LEU A 32 0.852 -5.099 0.673 1.00 0.00 C ATOM 499 CD1 LEU A 32 0.147 -3.773 0.383 1.00 0.00 C ATOM 500 CD2 LEU A 32 2.018 -5.274 -0.302 1.00 0.00 C ATOM 0 H LEU A 32 1.085 -3.354 3.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.736 -5.205 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.988 -4.202 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.021 -5.954 2.278 1.00 0.00 H new ATOM 0 HG LEU A 32 0.150 -5.924 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.229 -3.777 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.685 -3.644 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.852 -2.951 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.640 -5.280 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.721 -4.450 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.525 -6.217 -0.097 1.00 0.00 H new ATOM 512 N GLN A 33 1.319 -6.284 4.888 1.00 0.00 N ATOM 513 CA GLN A 33 1.532 -7.421 5.830 1.00 0.00 C ATOM 514 C GLN A 33 0.466 -7.414 6.932 1.00 0.00 C ATOM 515 O GLN A 33 0.510 -8.212 7.846 1.00 0.00 O ATOM 516 CB GLN A 33 2.913 -7.281 6.472 1.00 0.00 C ATOM 517 CG GLN A 33 3.923 -8.128 5.699 1.00 0.00 C ATOM 518 CD GLN A 33 4.880 -8.810 6.683 1.00 0.00 C ATOM 519 OE1 GLN A 33 6.078 -8.809 6.481 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.399 -9.395 7.745 1.00 0.00 N ATOM 0 H GLN A 33 1.985 -5.517 4.982 1.00 0.00 H new ATOM 0 HA GLN A 33 1.461 -8.357 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.222 -6.236 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.876 -7.601 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.403 -8.878 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.484 -7.501 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.393 -9.396 7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.029 -9.851 8.405 1.00 0.00 H new ATOM 529 N THR A 34 -0.481 -6.521 6.868 1.00 0.00 N ATOM 530 CA THR A 34 -1.523 -6.477 7.932 1.00 0.00 C ATOM 531 C THR A 34 -2.819 -7.144 7.447 1.00 0.00 C ATOM 532 O THR A 34 -3.019 -8.328 7.633 1.00 0.00 O ATOM 533 CB THR A 34 -1.802 -5.022 8.310 1.00 0.00 C ATOM 534 OG1 THR A 34 -0.631 -4.450 8.876 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.939 -4.972 9.328 1.00 0.00 C ATOM 0 H THR A 34 -0.579 -5.824 6.130 1.00 0.00 H new ATOM 0 HA THR A 34 -1.159 -7.021 8.804 1.00 0.00 H new ATOM 0 HB THR A 34 -2.087 -4.460 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.030 -4.292 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.140 -3.935 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.836 -5.414 8.894 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.654 -5.531 10.219 1.00 0.00 H new ATOM 543 N GLU A 35 -3.712 -6.397 6.849 1.00 0.00 N ATOM 544 CA GLU A 35 -4.998 -7.006 6.388 1.00 0.00 C ATOM 545 C GLU A 35 -4.976 -7.258 4.875 1.00 0.00 C ATOM 546 O GLU A 35 -6.005 -7.443 4.257 1.00 0.00 O ATOM 547 CB GLU A 35 -6.161 -6.070 6.738 1.00 0.00 C ATOM 548 CG GLU A 35 -6.198 -4.889 5.764 1.00 0.00 C ATOM 549 CD GLU A 35 -7.534 -4.892 5.018 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.556 -5.000 5.675 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.511 -4.786 3.802 1.00 0.00 O ATOM 0 H GLU A 35 -3.609 -5.400 6.661 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.128 -7.963 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.103 -6.616 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.050 -5.706 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.073 -3.952 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.373 -4.961 5.056 1.00 0.00 H new ATOM 558 N PHE A 36 -3.819 -7.281 4.272 1.00 0.00 N ATOM 559 CA PHE A 36 -3.755 -7.540 2.803 1.00 0.00 C ATOM 560 C PHE A 36 -2.731 -8.648 2.535 1.00 0.00 C ATOM 561 O PHE A 36 -1.635 -8.379 2.086 1.00 0.00 O ATOM 562 CB PHE A 36 -3.320 -6.266 2.072 1.00 0.00 C ATOM 563 CG PHE A 36 -4.522 -5.401 1.761 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.715 -5.977 1.298 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.439 -4.014 1.931 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.818 -5.164 1.008 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.541 -3.205 1.639 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.730 -3.778 1.178 1.00 0.00 C ATOM 0 H PHE A 36 -2.919 -7.133 4.729 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.738 -7.845 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.613 -5.710 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.803 -6.527 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.783 -7.047 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.522 -3.568 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.737 -5.607 0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.474 -2.135 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.580 -3.151 0.953 1.00 0.00 H new ATOM 578 N PRO A 37 -3.121 -9.864 2.823 1.00 0.00 N ATOM 579 CA PRO A 37 -2.249 -11.046 2.631 1.00 0.00 C ATOM 580 C PRO A 37 -2.085 -11.357 1.147 1.00 0.00 C ATOM 581 O PRO A 37 -0.988 -11.488 0.642 1.00 0.00 O ATOM 582 CB PRO A 37 -3.031 -12.189 3.273 1.00 0.00 C ATOM 583 CG PRO A 37 -4.498 -11.719 3.324 1.00 0.00 C ATOM 584 CD PRO A 37 -4.460 -10.182 3.363 1.00 0.00 C ATOM 0 HA PRO A 37 -1.256 -10.891 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.934 -13.105 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.655 -12.406 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.049 -12.072 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.003 -12.118 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.253 -9.744 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.586 -9.802 4.377 1.00 0.00 H new ATOM 592 N SER A 38 -3.188 -11.520 0.466 1.00 0.00 N ATOM 593 CA SER A 38 -3.152 -11.872 -0.967 1.00 0.00 C ATOM 594 C SER A 38 -2.001 -11.141 -1.658 1.00 0.00 C ATOM 595 O SER A 38 -1.260 -11.724 -2.424 1.00 0.00 O ATOM 596 CB SER A 38 -4.473 -11.476 -1.624 1.00 0.00 C ATOM 597 OG SER A 38 -5.306 -10.848 -0.660 1.00 0.00 O ATOM 0 H SER A 38 -4.125 -11.420 0.857 1.00 0.00 H new ATOM 0 HA SER A 38 -3.002 -12.947 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.289 -10.800 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.969 -12.357 -2.031 1.00 0.00 H new ATOM 0 HG SER A 38 -6.207 -10.735 -1.030 1.00 0.00 H new ATOM 603 N LEU A 39 -1.829 -9.876 -1.385 1.00 0.00 N ATOM 604 CA LEU A 39 -0.703 -9.139 -2.026 1.00 0.00 C ATOM 605 C LEU A 39 0.590 -9.872 -1.689 1.00 0.00 C ATOM 606 O LEU A 39 1.277 -10.377 -2.556 1.00 0.00 O ATOM 607 CB LEU A 39 -0.644 -7.709 -1.490 1.00 0.00 C ATOM 608 CG LEU A 39 -1.714 -6.866 -2.179 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.866 -5.533 -1.445 1.00 0.00 C ATOM 610 CD2 LEU A 39 -1.302 -6.607 -3.630 1.00 0.00 C ATOM 0 H LEU A 39 -2.412 -9.326 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.845 -9.096 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.801 -7.706 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.343 -7.282 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.664 -7.399 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.630 -4.932 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.160 -5.718 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.916 -4.998 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.065 -6.005 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.351 -6.074 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.195 -7.557 -4.153 1.00 0.00 H new ATOM 622 N LEU A 40 0.907 -9.965 -0.428 1.00 0.00 N ATOM 623 CA LEU A 40 2.134 -10.699 -0.024 1.00 0.00 C ATOM 624 C LEU A 40 1.826 -12.194 -0.090 1.00 0.00 C ATOM 625 O LEU A 40 2.045 -12.834 -1.098 1.00 0.00 O ATOM 626 CB LEU A 40 2.517 -10.318 1.409 1.00 0.00 C ATOM 627 CG LEU A 40 3.398 -9.068 1.393 1.00 0.00 C ATOM 628 CD1 LEU A 40 2.751 -7.995 0.517 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.553 -8.538 2.822 1.00 0.00 C ATOM 0 H LEU A 40 0.368 -9.564 0.339 1.00 0.00 H new ATOM 0 HA LEU A 40 2.963 -10.448 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.619 -10.134 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.048 -11.142 1.885 1.00 0.00 H new ATOM 0 HG LEU A 40 4.379 -9.320 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.380 -7.105 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.641 -8.373 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.770 -7.741 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.181 -7.647 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.572 -8.287 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.017 -9.303 3.445 1.00 0.00 H new ATOM 641 N LYS A 41 1.290 -12.739 0.972 1.00 0.00 N ATOM 642 CA LYS A 41 0.932 -14.190 0.992 1.00 0.00 C ATOM 643 C LYS A 41 1.949 -14.995 0.175 1.00 0.00 C ATOM 644 O LYS A 41 1.611 -15.952 -0.493 1.00 0.00 O ATOM 645 CB LYS A 41 -0.473 -14.371 0.400 1.00 0.00 C ATOM 646 CG LYS A 41 -0.879 -15.845 0.483 1.00 0.00 C ATOM 647 CD LYS A 41 -1.465 -16.294 -0.858 1.00 0.00 C ATOM 648 CE LYS A 41 -1.821 -17.781 -0.790 1.00 0.00 C ATOM 649 NZ LYS A 41 -2.970 -17.974 0.140 1.00 0.00 N ATOM 0 H LYS A 41 1.083 -12.236 1.835 1.00 0.00 H new ATOM 0 HA LYS A 41 0.945 -14.552 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.190 -13.755 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.487 -14.037 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.013 -16.457 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.612 -15.986 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.353 -15.707 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.746 -16.118 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.077 -18.151 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.961 -18.357 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.386 -18.915 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.638 -17.897 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.689 -17.245 -0.040 1.00 0.00 H new ATOM 663 N GLY A 42 3.196 -14.611 0.225 1.00 0.00 N ATOM 664 CA GLY A 42 4.237 -15.347 -0.547 1.00 0.00 C ATOM 665 C GLY A 42 5.561 -14.576 -0.473 1.00 0.00 C ATOM 666 O GLY A 42 5.581 -13.410 -0.137 1.00 0.00 O ATOM 0 H GLY A 42 3.539 -13.818 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.364 -16.351 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.925 -15.459 -1.585 1.00 0.00 H new ATOM 670 N MET A 43 6.666 -15.212 -0.779 1.00 0.00 N ATOM 671 CA MET A 43 7.979 -14.503 -0.719 1.00 0.00 C ATOM 672 C MET A 43 8.044 -13.421 -1.809 1.00 0.00 C ATOM 673 O MET A 43 8.595 -13.638 -2.870 1.00 0.00 O ATOM 674 CB MET A 43 9.106 -15.513 -0.956 1.00 0.00 C ATOM 675 CG MET A 43 10.011 -15.566 0.275 1.00 0.00 C ATOM 676 SD MET A 43 9.987 -17.238 0.966 1.00 0.00 S ATOM 677 CE MET A 43 10.860 -16.862 2.504 1.00 0.00 C ATOM 0 H MET A 43 6.714 -16.189 -1.067 1.00 0.00 H new ATOM 0 HA MET A 43 8.089 -14.037 0.260 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.688 -16.500 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.685 -15.228 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.029 -15.287 0.004 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.672 -14.847 1.021 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.959 -17.771 3.098 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.850 -16.470 2.274 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.298 -16.119 3.069 1.00 0.00 H new ATOM 687 N SER A 44 7.497 -12.256 -1.566 1.00 0.00 N ATOM 688 CA SER A 44 7.544 -11.183 -2.588 1.00 0.00 C ATOM 689 C SER A 44 7.216 -9.861 -1.905 1.00 0.00 C ATOM 690 O SER A 44 6.191 -9.259 -2.152 1.00 0.00 O ATOM 691 CB SER A 44 6.513 -11.465 -3.681 1.00 0.00 C ATOM 692 OG SER A 44 7.106 -12.273 -4.690 1.00 0.00 O ATOM 0 H SER A 44 7.020 -12.008 -0.699 1.00 0.00 H new ATOM 0 HA SER A 44 8.534 -11.139 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.646 -11.971 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.157 -10.529 -4.111 1.00 0.00 H new ATOM 0 HG SER A 44 7.770 -12.869 -4.284 1.00 0.00 H new ATOM 698 N THR A 45 8.069 -9.415 -1.026 1.00 0.00 N ATOM 699 CA THR A 45 7.798 -8.142 -0.311 1.00 0.00 C ATOM 700 C THR A 45 8.965 -7.188 -0.501 1.00 0.00 C ATOM 701 O THR A 45 9.648 -7.228 -1.502 1.00 0.00 O ATOM 702 CB THR A 45 7.602 -8.434 1.166 1.00 0.00 C ATOM 703 OG1 THR A 45 6.947 -7.341 1.790 1.00 0.00 O ATOM 704 CG2 THR A 45 8.950 -8.690 1.842 1.00 0.00 C ATOM 0 H THR A 45 8.942 -9.879 -0.773 1.00 0.00 H new ATOM 0 HA THR A 45 6.897 -7.679 -0.713 1.00 0.00 H new ATOM 0 HB THR A 45 6.986 -9.327 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.447 -7.661 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.793 -8.898 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.436 -9.545 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.584 -7.809 1.735 1.00 0.00 H new ATOM 712 N LEU A 46 9.227 -6.344 0.457 1.00 0.00 N ATOM 713 CA LEU A 46 10.375 -5.414 0.297 1.00 0.00 C ATOM 714 C LEU A 46 10.232 -4.583 -1.001 1.00 0.00 C ATOM 715 O LEU A 46 9.673 -3.507 -0.995 1.00 0.00 O ATOM 716 CB LEU A 46 11.663 -6.236 0.243 1.00 0.00 C ATOM 717 CG LEU A 46 12.865 -5.306 0.086 1.00 0.00 C ATOM 718 CD1 LEU A 46 13.085 -4.526 1.384 1.00 0.00 C ATOM 719 CD2 LEU A 46 14.107 -6.144 -0.223 1.00 0.00 C ATOM 0 H LEU A 46 8.705 -6.259 1.329 1.00 0.00 H new ATOM 0 HA LEU A 46 10.400 -4.724 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.766 -6.828 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.623 -6.937 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 46 12.682 -4.604 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.943 -3.863 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.197 -3.935 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.272 -5.224 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.970 -5.488 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.287 -6.842 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.950 -6.700 -1.147 1.00 0.00 H new ATOM 731 N ASP A 47 10.750 -5.065 -2.106 1.00 0.00 N ATOM 732 CA ASP A 47 10.662 -4.300 -3.392 1.00 0.00 C ATOM 733 C ASP A 47 9.364 -4.614 -4.133 1.00 0.00 C ATOM 734 O ASP A 47 9.099 -4.089 -5.187 1.00 0.00 O ATOM 735 CB ASP A 47 11.842 -4.687 -4.276 1.00 0.00 C ATOM 736 CG ASP A 47 12.919 -3.602 -4.206 1.00 0.00 C ATOM 737 OD1 ASP A 47 13.610 -3.545 -3.201 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.038 -2.849 -5.158 1.00 0.00 O ATOM 0 H ASP A 47 11.233 -5.961 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 47 10.681 -3.234 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.254 -5.643 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.510 -4.817 -5.306 1.00 0.00 H new ATOM 743 N GLU A 48 8.603 -5.516 -3.608 1.00 0.00 N ATOM 744 CA GLU A 48 7.365 -5.970 -4.235 1.00 0.00 C ATOM 745 C GLU A 48 6.190 -5.114 -3.788 1.00 0.00 C ATOM 746 O GLU A 48 5.331 -4.795 -4.565 1.00 0.00 O ATOM 747 CB GLU A 48 7.182 -7.417 -3.801 1.00 0.00 C ATOM 748 CG GLU A 48 7.260 -8.333 -5.019 1.00 0.00 C ATOM 749 CD GLU A 48 5.889 -8.423 -5.692 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.357 -7.385 -6.052 1.00 0.00 O ATOM 751 OE2 GLU A 48 5.396 -9.530 -5.841 1.00 0.00 O ATOM 0 H GLU A 48 8.809 -5.976 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 48 7.413 -5.887 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.951 -7.690 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.220 -7.539 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.997 -7.951 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.592 -9.326 -4.717 1.00 0.00 H new ATOM 758 N LEU A 49 6.165 -4.725 -2.552 1.00 0.00 N ATOM 759 CA LEU A 49 5.060 -3.851 -2.062 1.00 0.00 C ATOM 760 C LEU A 49 5.366 -2.449 -2.558 1.00 0.00 C ATOM 761 O LEU A 49 4.487 -1.655 -2.829 1.00 0.00 O ATOM 762 CB LEU A 49 5.007 -3.831 -0.532 1.00 0.00 C ATOM 763 CG LEU A 49 5.641 -5.098 0.028 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.326 -5.203 1.518 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.066 -6.318 -0.696 1.00 0.00 C ATOM 0 H LEU A 49 6.864 -4.973 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 49 4.101 -4.221 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.532 -2.954 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.973 -3.753 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 49 6.720 -5.061 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.778 -6.109 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.729 -4.333 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.246 -5.242 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.519 -7.225 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.987 -6.355 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.282 -6.244 -1.762 1.00 0.00 H new ATOM 777 N PHE A 50 6.625 -2.161 -2.704 1.00 0.00 N ATOM 778 CA PHE A 50 7.027 -0.826 -3.216 1.00 0.00 C ATOM 779 C PHE A 50 6.812 -0.832 -4.717 1.00 0.00 C ATOM 780 O PHE A 50 6.157 0.026 -5.275 1.00 0.00 O ATOM 781 CB PHE A 50 8.495 -0.596 -2.897 1.00 0.00 C ATOM 782 CG PHE A 50 8.773 0.882 -2.743 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.998 1.818 -3.440 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.815 1.316 -1.912 1.00 0.00 C ATOM 785 CE1 PHE A 50 8.265 3.187 -3.306 1.00 0.00 C ATOM 786 CE2 PHE A 50 10.079 2.684 -1.777 1.00 0.00 C ATOM 787 CZ PHE A 50 9.304 3.619 -2.475 1.00 0.00 C ATOM 0 H PHE A 50 7.396 -2.794 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 50 6.441 -0.031 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.761 -1.121 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.116 -1.009 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.195 1.484 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.414 0.595 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.669 3.909 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.880 3.019 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.509 4.674 -2.371 1.00 0.00 H new ATOM 797 N GLU A 51 7.321 -1.833 -5.364 1.00 0.00 N ATOM 798 CA GLU A 51 7.109 -1.948 -6.832 1.00 0.00 C ATOM 799 C GLU A 51 5.635 -2.292 -7.045 1.00 0.00 C ATOM 800 O GLU A 51 5.057 -2.035 -8.083 1.00 0.00 O ATOM 801 CB GLU A 51 7.995 -3.058 -7.409 1.00 0.00 C ATOM 802 CG GLU A 51 7.424 -4.428 -7.029 1.00 0.00 C ATOM 803 CD GLU A 51 6.606 -4.986 -8.194 1.00 0.00 C ATOM 804 OE1 GLU A 51 6.506 -4.305 -9.201 1.00 0.00 O ATOM 805 OE2 GLU A 51 6.095 -6.085 -8.060 1.00 0.00 O ATOM 0 H GLU A 51 7.875 -2.579 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 51 7.369 -1.017 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.050 -2.965 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.012 -2.959 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.234 -5.114 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.797 -4.338 -6.142 1.00 0.00 H new ATOM 812 N GLU A 52 5.028 -2.867 -6.039 1.00 0.00 N ATOM 813 CA GLU A 52 3.580 -3.233 -6.129 1.00 0.00 C ATOM 814 C GLU A 52 2.788 -2.040 -6.667 1.00 0.00 C ATOM 815 O GLU A 52 1.822 -2.200 -7.384 1.00 0.00 O ATOM 816 CB GLU A 52 3.049 -3.584 -4.739 1.00 0.00 C ATOM 817 CG GLU A 52 2.855 -5.099 -4.609 1.00 0.00 C ATOM 818 CD GLU A 52 1.438 -5.475 -5.043 1.00 0.00 C ATOM 819 OE1 GLU A 52 0.610 -4.583 -5.137 1.00 0.00 O ATOM 820 OE2 GLU A 52 1.203 -6.650 -5.277 1.00 0.00 O ATOM 0 H GLU A 52 5.475 -3.101 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 52 3.469 -4.089 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.745 -3.233 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.102 -3.073 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.586 -5.623 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.025 -5.410 -3.578 1.00 0.00 H new ATOM 827 N LEU A 53 3.203 -0.841 -6.348 1.00 0.00 N ATOM 828 CA LEU A 53 2.511 0.339 -6.854 1.00 0.00 C ATOM 829 C LEU A 53 3.316 0.808 -8.041 1.00 0.00 C ATOM 830 O LEU A 53 2.816 1.433 -8.955 1.00 0.00 O ATOM 831 CB LEU A 53 2.482 1.411 -5.768 1.00 0.00 C ATOM 832 CG LEU A 53 1.246 2.262 -5.975 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.231 2.731 -7.422 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.007 1.410 -5.702 1.00 0.00 C ATOM 0 H LEU A 53 4.005 -0.646 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 53 1.480 0.126 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.465 0.951 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.380 2.027 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 53 1.251 3.120 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.349 3.347 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.128 3.317 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.206 1.866 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.889 2.013 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.010 0.563 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.035 1.045 -4.675 1.00 0.00 H new ATOM 846 N ASP A 54 4.573 0.452 -8.052 1.00 0.00 N ATOM 847 CA ASP A 54 5.417 0.810 -9.191 1.00 0.00 C ATOM 848 C ASP A 54 5.260 2.282 -9.472 1.00 0.00 C ATOM 849 O ASP A 54 5.454 2.762 -10.571 1.00 0.00 O ATOM 850 CB ASP A 54 4.864 0.005 -10.295 1.00 0.00 C ATOM 851 CG ASP A 54 5.452 0.433 -11.641 1.00 0.00 C ATOM 852 OD1 ASP A 54 6.593 0.090 -11.905 1.00 0.00 O ATOM 853 OD2 ASP A 54 4.751 1.099 -12.385 1.00 0.00 O ATOM 0 H ASP A 54 5.038 -0.073 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 54 6.479 0.623 -9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.077 -1.050 -10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.780 0.112 -10.319 1.00 0.00 H new ATOM 858 N LYS A 55 4.899 2.977 -8.455 1.00 0.00 N ATOM 859 CA LYS A 55 4.702 4.430 -8.525 1.00 0.00 C ATOM 860 C LYS A 55 5.781 5.069 -9.410 1.00 0.00 C ATOM 861 O LYS A 55 6.716 4.424 -9.838 1.00 0.00 O ATOM 862 CB LYS A 55 4.839 4.937 -7.098 1.00 0.00 C ATOM 863 CG LYS A 55 3.510 5.498 -6.620 1.00 0.00 C ATOM 864 CD LYS A 55 3.747 6.800 -5.845 1.00 0.00 C ATOM 865 CE LYS A 55 4.371 7.854 -6.762 1.00 0.00 C ATOM 866 NZ LYS A 55 3.475 8.075 -7.930 1.00 0.00 N ATOM 0 H LYS A 55 4.724 2.578 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 55 3.732 4.681 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.158 4.126 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.608 5.708 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.856 5.684 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.005 4.771 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.804 7.170 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.403 6.612 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.517 8.787 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.354 7.525 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.612 9.039 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.701 7.387 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.485 7.954 -7.636 1.00 0.00 H new ATOM 880 N ASN A 56 5.679 6.345 -9.668 1.00 0.00 N ATOM 881 CA ASN A 56 6.713 7.011 -10.513 1.00 0.00 C ATOM 882 C ASN A 56 7.951 7.264 -9.653 1.00 0.00 C ATOM 883 O ASN A 56 8.875 7.937 -10.064 1.00 0.00 O ATOM 884 CB ASN A 56 6.210 8.374 -11.022 1.00 0.00 C ATOM 885 CG ASN A 56 4.683 8.475 -10.883 1.00 0.00 C ATOM 886 OD1 ASN A 56 3.984 7.499 -11.072 1.00 0.00 O ATOM 887 ND2 ASN A 56 4.131 9.619 -10.553 1.00 0.00 N ATOM 0 H ASN A 56 4.930 6.952 -9.333 1.00 0.00 H new ATOM 0 HA ASN A 56 6.936 6.367 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.685 9.177 -10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.495 8.506 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.118 9.687 -10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.715 10.440 -10.394 1.00 0.00 H new ATOM 894 N GLY A 57 7.965 6.758 -8.449 1.00 0.00 N ATOM 895 CA GLY A 57 9.123 7.002 -7.559 1.00 0.00 C ATOM 896 C GLY A 57 8.977 8.409 -6.994 1.00 0.00 C ATOM 897 O GLY A 57 9.926 9.165 -6.918 1.00 0.00 O ATOM 0 H GLY A 57 7.221 6.187 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.150 6.267 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.058 6.905 -8.111 1.00 0.00 H new ATOM 901 N ASP A 58 7.778 8.771 -6.612 1.00 0.00 N ATOM 902 CA ASP A 58 7.553 10.135 -6.070 1.00 0.00 C ATOM 903 C ASP A 58 7.943 10.169 -4.587 1.00 0.00 C ATOM 904 O ASP A 58 7.638 11.108 -3.878 1.00 0.00 O ATOM 905 CB ASP A 58 6.083 10.550 -6.246 1.00 0.00 C ATOM 906 CG ASP A 58 5.604 10.209 -7.664 1.00 0.00 C ATOM 907 OD1 ASP A 58 6.031 9.196 -8.193 1.00 0.00 O ATOM 908 OD2 ASP A 58 4.815 10.969 -8.197 1.00 0.00 O ATOM 0 H ASP A 58 6.949 8.178 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 58 8.174 10.842 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.462 10.038 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.975 11.619 -6.065 1.00 0.00 H new ATOM 913 N GLY A 59 8.634 9.158 -4.113 1.00 0.00 N ATOM 914 CA GLY A 59 9.059 9.143 -2.687 1.00 0.00 C ATOM 915 C GLY A 59 7.871 8.831 -1.777 1.00 0.00 C ATOM 916 O GLY A 59 8.012 8.768 -0.572 1.00 0.00 O ATOM 0 H GLY A 59 8.919 8.344 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.841 8.397 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.486 10.109 -2.419 1.00 0.00 H new ATOM 920 N GLU A 60 6.698 8.649 -2.321 1.00 0.00 N ATOM 921 CA GLU A 60 5.532 8.363 -1.429 1.00 0.00 C ATOM 922 C GLU A 60 4.367 7.719 -2.190 1.00 0.00 C ATOM 923 O GLU A 60 4.046 8.103 -3.297 1.00 0.00 O ATOM 924 CB GLU A 60 5.046 9.677 -0.814 1.00 0.00 C ATOM 925 CG GLU A 60 5.364 10.844 -1.751 1.00 0.00 C ATOM 926 CD GLU A 60 4.634 12.099 -1.267 1.00 0.00 C ATOM 927 OE1 GLU A 60 4.712 12.385 -0.084 1.00 0.00 O ATOM 928 OE2 GLU A 60 4.012 12.751 -2.088 1.00 0.00 O ATOM 0 H GLU A 60 6.496 8.684 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 60 5.863 7.663 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.972 9.628 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.525 9.835 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.439 11.022 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.058 10.602 -2.769 1.00 0.00 H new ATOM 935 N VAL A 61 3.701 6.763 -1.579 1.00 0.00 N ATOM 936 CA VAL A 61 2.529 6.125 -2.238 1.00 0.00 C ATOM 937 C VAL A 61 1.277 6.556 -1.485 1.00 0.00 C ATOM 938 O VAL A 61 0.910 5.995 -0.473 1.00 0.00 O ATOM 939 CB VAL A 61 2.678 4.616 -2.187 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.713 3.959 -3.178 1.00 0.00 C ATOM 941 CG2 VAL A 61 4.106 4.266 -2.571 1.00 0.00 C ATOM 0 H VAL A 61 3.925 6.402 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 61 2.460 6.429 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 61 2.451 4.256 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.828 2.876 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.688 4.226 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.935 4.307 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.236 3.184 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.311 4.628 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.797 4.734 -1.869 1.00 0.00 H new ATOM 951 N SER A 62 0.644 7.570 -1.974 1.00 0.00 N ATOM 952 CA SER A 62 -0.583 8.106 -1.307 1.00 0.00 C ATOM 953 C SER A 62 -1.780 7.224 -1.649 1.00 0.00 C ATOM 954 O SER A 62 -1.628 6.154 -2.183 1.00 0.00 O ATOM 955 CB SER A 62 -0.847 9.531 -1.802 1.00 0.00 C ATOM 956 OG SER A 62 -1.833 9.499 -2.825 1.00 0.00 O ATOM 0 H SER A 62 0.920 8.066 -2.821 1.00 0.00 H new ATOM 0 HA SER A 62 -0.434 8.112 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.183 10.158 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.074 9.972 -2.183 1.00 0.00 H new ATOM 0 HG SER A 62 -2.664 9.896 -2.491 1.00 0.00 H new ATOM 962 N PHE A 63 -2.966 7.681 -1.351 1.00 0.00 N ATOM 963 CA PHE A 63 -4.191 6.885 -1.656 1.00 0.00 C ATOM 964 C PHE A 63 -4.555 6.995 -3.141 1.00 0.00 C ATOM 965 O PHE A 63 -4.852 6.012 -3.787 1.00 0.00 O ATOM 966 CB PHE A 63 -5.359 7.427 -0.857 1.00 0.00 C ATOM 967 CG PHE A 63 -6.480 6.533 -1.219 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.378 5.187 -0.896 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.552 7.009 -1.958 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.362 4.303 -1.291 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.542 6.128 -2.374 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.453 4.763 -2.038 1.00 0.00 C ATOM 0 H PHE A 63 -3.141 8.581 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.989 5.845 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.157 7.402 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.574 8.464 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.527 4.831 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.617 8.058 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.290 3.259 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.378 6.489 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.223 4.075 -2.355 1.00 0.00 H new ATOM 982 N GLU A 64 -4.583 8.183 -3.674 1.00 0.00 N ATOM 983 CA GLU A 64 -4.982 8.348 -5.101 1.00 0.00 C ATOM 984 C GLU A 64 -4.163 7.434 -6.022 1.00 0.00 C ATOM 985 O GLU A 64 -4.635 7.018 -7.062 1.00 0.00 O ATOM 986 CB GLU A 64 -4.820 9.807 -5.498 1.00 0.00 C ATOM 987 CG GLU A 64 -6.045 10.568 -4.991 1.00 0.00 C ATOM 988 CD GLU A 64 -6.071 11.966 -5.608 1.00 0.00 C ATOM 989 OE1 GLU A 64 -5.743 12.083 -6.777 1.00 0.00 O ATOM 990 OE2 GLU A 64 -6.419 12.898 -4.901 1.00 0.00 O ATOM 0 H GLU A 64 -4.347 9.047 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.027 8.057 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.908 10.221 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.733 9.901 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.955 10.027 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.017 10.640 -3.904 1.00 0.00 H new ATOM 997 N GLU A 65 -2.955 7.096 -5.662 1.00 0.00 N ATOM 998 CA GLU A 65 -2.150 6.187 -6.541 1.00 0.00 C ATOM 999 C GLU A 65 -1.976 4.817 -5.859 1.00 0.00 C ATOM 1000 O GLU A 65 -1.373 3.910 -6.400 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.773 6.808 -6.787 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.173 7.264 -5.456 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.177 8.791 -5.392 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -1.011 9.391 -6.051 1.00 0.00 O ATOM 1005 OE2 GLU A 65 0.655 9.337 -4.686 1.00 0.00 O ATOM 0 H GLU A 65 -2.491 7.404 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.670 6.053 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.115 6.082 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.861 7.655 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.748 6.853 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.845 6.888 -5.356 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.471 4.685 -4.661 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.335 3.430 -3.878 1.00 0.00 C ATOM 1014 C PHE A 66 -3.386 2.354 -4.244 1.00 0.00 C ATOM 1015 O PHE A 66 -3.051 1.217 -4.447 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.512 3.831 -2.411 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.225 2.735 -1.715 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.610 2.734 -1.747 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.521 1.674 -1.166 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.307 1.682 -1.231 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.220 0.594 -0.656 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.614 0.601 -0.690 1.00 0.00 C ATOM 0 H PHE A 66 -2.982 5.423 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.366 2.980 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.542 4.009 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.077 4.760 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.139 3.569 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.442 1.690 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.387 1.686 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.690 -0.248 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.162 -0.240 -0.293 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.644 2.686 -4.191 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.728 1.675 -4.383 1.00 0.00 C ATOM 1034 C GLN A 67 -5.381 0.640 -5.442 1.00 0.00 C ATOM 1035 O GLN A 67 -5.935 -0.439 -5.454 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.050 2.362 -4.724 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.084 2.728 -6.201 1.00 0.00 C ATOM 1038 CD GLN A 67 -6.156 3.901 -6.477 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.556 3.980 -7.530 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -6.007 4.821 -5.576 1.00 0.00 N ATOM 0 H GLN A 67 -4.977 3.635 -4.019 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.834 1.143 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.884 1.702 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.170 3.259 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.784 1.870 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.102 2.984 -6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.511 4.755 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.386 5.611 -5.752 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.471 0.920 -6.319 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.116 -0.108 -7.336 1.00 0.00 C ATOM 1051 C VAL A 68 -3.707 -1.430 -6.654 1.00 0.00 C ATOM 1052 O VAL A 68 -3.506 -2.433 -7.311 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.967 0.402 -8.211 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -2.757 -0.553 -9.387 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.311 1.795 -8.741 1.00 0.00 C ATOM 0 H VAL A 68 -3.961 1.801 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.990 -0.295 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.054 0.453 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.939 -0.190 -10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.512 -1.546 -9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.669 -0.605 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.494 2.159 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.224 1.743 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.460 2.476 -7.903 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.607 -1.454 -5.347 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.242 -2.718 -4.641 1.00 0.00 C ATOM 1067 C LEU A 69 -4.525 -3.398 -4.262 1.00 0.00 C ATOM 1068 O LEU A 69 -4.666 -4.601 -4.329 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.469 -2.430 -3.362 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.587 -1.262 -3.649 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.042 -0.677 -2.348 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.430 -1.692 -4.555 1.00 0.00 C ATOM 0 H LEU A 69 -3.763 -0.650 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.620 -3.331 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.150 -2.208 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.879 -3.296 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.173 -0.497 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.400 0.175 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.871 -0.351 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.465 -1.437 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.210 -0.834 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.152 -2.468 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.827 -2.081 -5.493 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.474 -2.604 -3.872 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.792 -3.188 -3.491 1.00 0.00 C ATOM 1086 C VAL A 70 -7.414 -3.735 -4.766 1.00 0.00 C ATOM 1087 O VAL A 70 -8.185 -4.674 -4.750 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.727 -2.152 -2.845 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.261 -2.709 -1.527 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -6.976 -0.857 -2.554 1.00 0.00 C ATOM 0 H VAL A 70 -5.402 -1.589 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.645 -3.969 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.545 -1.946 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.925 -1.978 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.812 -3.630 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.428 -2.918 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.655 -0.137 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.151 -1.060 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.585 -0.446 -3.485 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.039 -3.173 -5.882 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.553 -3.678 -7.175 1.00 0.00 C ATOM 1102 C LYS A 71 -6.731 -4.912 -7.530 1.00 0.00 C ATOM 1103 O LYS A 71 -7.231 -5.869 -8.085 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.386 -2.608 -8.256 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.689 -1.232 -7.659 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.551 -0.429 -8.635 1.00 0.00 C ATOM 1107 CE LYS A 71 -9.554 0.415 -7.851 1.00 0.00 C ATOM 1108 NZ LYS A 71 -10.404 1.189 -8.801 1.00 0.00 N ATOM 0 H LYS A 71 -6.397 -2.384 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.613 -3.924 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.370 -2.630 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.057 -2.810 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.207 -1.344 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.760 -0.700 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.921 0.213 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.077 -1.102 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.178 -0.227 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.028 1.095 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.087 1.764 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.802 1.812 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.916 0.532 -9.423 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.468 -4.902 -7.182 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.611 -6.077 -7.464 1.00 0.00 C ATOM 1124 C LYS A 72 -4.803 -7.103 -6.337 1.00 0.00 C ATOM 1125 O LYS A 72 -4.270 -8.193 -6.378 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.154 -5.624 -7.507 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.528 -6.046 -8.836 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.347 -6.983 -8.578 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.159 -6.549 -9.436 1.00 0.00 C ATOM 1130 NZ LYS A 72 0.899 -5.970 -8.560 1.00 0.00 N ATOM 0 H LYS A 72 -5.000 -4.126 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.879 -6.527 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.095 -4.542 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.601 -6.063 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.272 -6.546 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.193 -5.167 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.075 -6.961 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.625 -8.010 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.236 -7.402 -9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.479 -5.813 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.708 -5.674 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.517 -5.146 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.210 -6.686 -7.873 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.564 -6.751 -5.330 1.00 0.00 N ATOM 1145 CA ILE A 73 -5.800 -7.684 -4.200 1.00 0.00 C ATOM 1146 C ILE A 73 -6.977 -8.606 -4.543 1.00 0.00 C ATOM 1147 O ILE A 73 -7.500 -9.320 -3.710 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.098 -6.863 -2.929 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.782 -6.386 -2.308 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -6.847 -7.715 -1.904 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.020 -5.090 -1.525 1.00 0.00 C ATOM 0 H ILE A 73 -6.033 -5.849 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.918 -8.300 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.716 -6.009 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.382 -7.154 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.040 -6.220 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.049 -7.119 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.789 -8.056 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.238 -8.577 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.081 -4.753 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.400 -4.322 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.748 -5.271 -0.734 1.00 0.00 H new