USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -119:sc= 0.137 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 52 GLN : amide:sc= 0.285 X(o=0.28,f=-0.01) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.549) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -90:sc= -2.26! USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 73 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-1.7) USER MOD Single : A 80 TYR OH : rot -171:sc= 0.335 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= 0.0518 (180deg=-0.000942) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.029) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -10.012 11.240 -5.182 1.00 0.00 N ATOM 118 CA PHE A 8 -9.615 10.973 -3.792 1.00 0.00 C ATOM 119 C PHE A 8 -8.285 10.217 -3.664 1.00 0.00 C ATOM 120 O PHE A 8 -7.490 10.508 -2.767 1.00 0.00 O ATOM 121 CB PHE A 8 -10.721 10.188 -3.076 1.00 0.00 C ATOM 122 CG PHE A 8 -11.890 11.038 -2.669 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.912 11.665 -1.434 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.964 11.214 -3.525 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.986 12.450 -1.061 1.00 0.00 C ATOM 126 CE2 PHE A 8 -14.040 11.998 -3.159 1.00 0.00 C ATOM 127 CZ PHE A 8 -14.050 12.618 -1.926 1.00 0.00 C ATOM 0 HA PHE A 8 -9.467 11.946 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.072 9.391 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.302 9.711 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.081 11.539 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.960 10.732 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.994 12.932 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.872 12.126 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.889 13.234 -1.638 1.00 0.00 H new ATOM 137 N LEU A 9 -8.045 9.253 -4.549 1.00 0.00 N ATOM 138 CA LEU A 9 -6.824 8.440 -4.492 1.00 0.00 C ATOM 139 C LEU A 9 -5.537 9.211 -4.853 1.00 0.00 C ATOM 140 O LEU A 9 -4.551 9.118 -4.121 1.00 0.00 O ATOM 141 CB LEU A 9 -6.963 7.202 -5.384 1.00 0.00 C ATOM 142 CG LEU A 9 -7.441 5.934 -4.667 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.335 5.111 -5.579 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.257 5.103 -4.195 1.00 0.00 C ATOM 0 H LEU A 9 -8.675 9.013 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.716 8.141 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.661 7.430 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.998 6.997 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.019 6.235 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.665 4.215 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.204 5.703 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.779 4.824 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.619 4.208 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.650 4.814 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.652 5.691 -3.504 1.00 0.00 H new ATOM 156 N PRO A 10 -5.497 9.966 -5.978 1.00 0.00 N ATOM 157 CA PRO A 10 -4.290 10.716 -6.381 1.00 0.00 C ATOM 158 C PRO A 10 -3.939 11.874 -5.440 1.00 0.00 C ATOM 159 O PRO A 10 -2.885 12.495 -5.583 1.00 0.00 O ATOM 160 CB PRO A 10 -4.640 11.256 -7.778 1.00 0.00 C ATOM 161 CG PRO A 10 -5.835 10.480 -8.212 1.00 0.00 C ATOM 162 CD PRO A 10 -6.579 10.139 -6.959 1.00 0.00 C ATOM 0 HA PRO A 10 -3.412 10.071 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.856 12.324 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.810 11.120 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.457 11.066 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.541 9.578 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.267 10.933 -6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.171 9.231 -7.074 1.00 0.00 H new ATOM 170 N GLU A 11 -4.814 12.160 -4.479 1.00 0.00 N ATOM 171 CA GLU A 11 -4.584 13.246 -3.527 1.00 0.00 C ATOM 172 C GLU A 11 -3.806 12.759 -2.303 1.00 0.00 C ATOM 173 O GLU A 11 -2.908 13.444 -1.814 1.00 0.00 O ATOM 174 CB GLU A 11 -5.920 13.851 -3.096 1.00 0.00 C ATOM 175 CG GLU A 11 -6.524 14.794 -4.126 1.00 0.00 C ATOM 176 CD GLU A 11 -7.507 15.769 -3.511 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.489 15.310 -2.891 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.294 16.993 -3.647 1.00 0.00 O ATOM 0 H GLU A 11 -5.689 11.655 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.984 14.010 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.626 13.045 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.779 14.391 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.726 15.349 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.029 14.211 -4.896 1.00 0.00 H new ATOM 185 N ILE A 12 -4.156 11.569 -1.819 1.00 0.00 N ATOM 186 CA ILE A 12 -3.498 10.983 -0.652 1.00 0.00 C ATOM 187 C ILE A 12 -2.112 10.435 -1.000 1.00 0.00 C ATOM 188 O ILE A 12 -1.229 10.384 -0.143 1.00 0.00 O ATOM 189 CB ILE A 12 -4.348 9.863 -0.002 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.910 8.907 -1.057 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.481 10.469 0.810 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.146 7.606 -1.168 1.00 0.00 C ATOM 0 H ILE A 12 -4.894 10.989 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.387 11.793 0.069 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.698 9.290 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.951 8.688 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.904 9.406 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.071 9.672 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.068 11.104 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.117 11.066 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.602 6.980 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.111 7.814 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.174 7.085 -0.211 1.00 0.00 H new ATOM 204 N LEU A 13 -1.949 10.002 -2.254 1.00 0.00 N ATOM 205 CA LEU A 13 -0.687 9.432 -2.744 1.00 0.00 C ATOM 206 C LEU A 13 0.524 10.323 -2.435 1.00 0.00 C ATOM 207 O LEU A 13 1.603 9.819 -2.139 1.00 0.00 O ATOM 208 CB LEU A 13 -0.776 9.190 -4.254 1.00 0.00 C ATOM 209 CG LEU A 13 -0.118 7.895 -4.746 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.830 7.367 -5.982 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.356 8.123 -5.044 1.00 0.00 C ATOM 0 H LEU A 13 -2.686 10.036 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.538 8.488 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.827 9.177 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.314 10.032 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.201 7.150 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.348 6.448 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.873 7.163 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.780 8.111 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.805 7.193 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.457 8.886 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.863 8.454 -4.138 1.00 0.00 H new ATOM 223 N ALA A 14 0.342 11.640 -2.503 1.00 0.00 N ATOM 224 CA ALA A 14 1.426 12.586 -2.235 1.00 0.00 C ATOM 225 C ALA A 14 1.972 12.438 -0.814 1.00 0.00 C ATOM 226 O ALA A 14 3.184 12.469 -0.600 1.00 0.00 O ATOM 227 CB ALA A 14 0.940 14.011 -2.466 1.00 0.00 C ATOM 0 H ALA A 14 -0.548 12.078 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 14 2.241 12.363 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.752 14.710 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.615 14.121 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.105 14.223 -1.798 1.00 0.00 H new ATOM 233 N GLU A 15 1.068 12.270 0.150 1.00 0.00 N ATOM 234 CA GLU A 15 1.446 12.130 1.556 1.00 0.00 C ATOM 235 C GLU A 15 2.038 10.755 1.888 1.00 0.00 C ATOM 236 O GLU A 15 2.598 10.573 2.966 1.00 0.00 O ATOM 237 CB GLU A 15 0.235 12.393 2.455 1.00 0.00 C ATOM 238 CG GLU A 15 -0.165 13.859 2.528 1.00 0.00 C ATOM 239 CD GLU A 15 0.689 14.656 3.497 1.00 0.00 C ATOM 240 OE1 GLU A 15 0.338 14.704 4.695 1.00 0.00 O ATOM 241 OE2 GLU A 15 1.706 15.233 3.058 1.00 0.00 O ATOM 0 H GLU A 15 0.063 12.227 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 15 2.225 12.869 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.611 11.812 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.456 12.035 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.088 14.301 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.210 13.931 2.829 1.00 0.00 H new ATOM 248 N ILE A 16 1.923 9.785 0.980 1.00 0.00 N ATOM 249 CA ILE A 16 2.457 8.448 1.254 1.00 0.00 C ATOM 250 C ILE A 16 3.866 8.247 0.689 1.00 0.00 C ATOM 251 O ILE A 16 4.636 7.460 1.229 1.00 0.00 O ATOM 252 CB ILE A 16 1.520 7.319 0.745 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.871 5.997 1.433 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.607 7.162 -0.766 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.688 5.074 1.624 1.00 0.00 C ATOM 0 H ILE A 16 1.476 9.893 0.069 1.00 0.00 H new ATOM 0 HA ILE A 16 2.516 8.382 2.340 1.00 0.00 H new ATOM 0 HB ILE A 16 0.495 7.595 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.630 5.482 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.314 6.211 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.939 6.363 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.315 8.096 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.630 6.914 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.016 4.159 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.064 5.568 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.258 4.828 0.653 1.00 0.00 H new ATOM 267 N ILE A 17 4.221 8.965 -0.377 1.00 0.00 N ATOM 268 CA ILE A 17 5.550 8.814 -0.975 1.00 0.00 C ATOM 269 C ILE A 17 6.655 9.296 -0.033 1.00 0.00 C ATOM 270 O ILE A 17 7.728 8.695 0.038 1.00 0.00 O ATOM 271 CB ILE A 17 5.680 9.574 -2.314 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.474 9.303 -3.214 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.965 9.172 -3.030 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.183 10.423 -4.192 1.00 0.00 C ATOM 0 H ILE A 17 3.619 9.647 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 17 5.668 7.746 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 17 5.715 10.641 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.646 8.382 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.595 9.139 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.042 9.716 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.822 9.412 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.950 8.101 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.315 10.161 -4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.979 11.342 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.046 10.573 -4.841 1.00 0.00 H new ATOM 286 N ALA A 18 6.379 10.368 0.703 1.00 0.00 N ATOM 287 CA ALA A 18 7.356 10.945 1.620 1.00 0.00 C ATOM 288 C ALA A 18 7.274 10.345 3.025 1.00 0.00 C ATOM 289 O ALA A 18 8.134 10.613 3.864 1.00 0.00 O ATOM 290 CB ALA A 18 7.170 12.453 1.682 1.00 0.00 C ATOM 0 H ALA A 18 5.484 10.856 0.682 1.00 0.00 H new ATOM 0 HA ALA A 18 8.347 10.706 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.901 12.882 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.311 12.878 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.164 12.681 2.035 1.00 0.00 H new ATOM 296 N ASN A 19 6.244 9.541 3.288 1.00 0.00 N ATOM 297 CA ASN A 19 6.069 8.941 4.612 1.00 0.00 C ATOM 298 C ASN A 19 6.091 7.413 4.563 1.00 0.00 C ATOM 299 O ASN A 19 5.558 6.751 5.455 1.00 0.00 O ATOM 300 CB ASN A 19 4.755 9.417 5.233 1.00 0.00 C ATOM 301 CG ASN A 19 4.835 10.842 5.742 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.201 11.082 6.891 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.491 11.798 4.887 1.00 0.00 N ATOM 0 H ASN A 19 5.524 9.291 2.610 1.00 0.00 H new ATOM 0 HA ASN A 19 6.909 9.264 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.959 9.344 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.486 8.755 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.525 12.776 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.193 11.554 3.942 1.00 0.00 H new ATOM 310 N LEU A 20 6.705 6.856 3.528 1.00 0.00 N ATOM 311 CA LEU A 20 6.778 5.401 3.386 1.00 0.00 C ATOM 312 C LEU A 20 8.219 4.910 3.311 1.00 0.00 C ATOM 313 O LEU A 20 9.099 5.598 2.795 1.00 0.00 O ATOM 314 CB LEU A 20 6.027 4.947 2.136 1.00 0.00 C ATOM 315 CG LEU A 20 5.703 3.453 2.074 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.284 3.197 2.553 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.892 2.925 0.660 1.00 0.00 C ATOM 0 H LEU A 20 7.157 7.380 2.779 1.00 0.00 H new ATOM 0 HA LEU A 20 6.313 4.970 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.094 5.507 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.620 5.210 1.260 1.00 0.00 H new ATOM 0 HG LEU A 20 6.390 2.923 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.070 2.129 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.180 3.540 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.582 3.738 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.657 1.861 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.228 3.459 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.926 3.076 0.351 1.00 0.00 H new ATOM 329 N ASP A 21 8.442 3.706 3.829 1.00 0.00 N ATOM 330 CA ASP A 21 9.762 3.085 3.813 1.00 0.00 C ATOM 331 C ASP A 21 9.669 1.684 3.214 1.00 0.00 C ATOM 332 O ASP A 21 9.348 0.726 3.915 1.00 0.00 O ATOM 333 CB ASP A 21 10.344 3.017 5.229 1.00 0.00 C ATOM 334 CG ASP A 21 10.822 4.367 5.724 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.000 5.119 6.290 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.020 4.674 5.545 1.00 0.00 O ATOM 0 H ASP A 21 7.719 3.137 4.269 1.00 0.00 H new ATOM 0 HA ASP A 21 10.426 3.693 3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.587 2.630 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.176 2.313 5.243 1.00 0.00 H new ATOM 341 N PRO A 22 9.953 1.555 1.901 1.00 0.00 N ATOM 342 CA PRO A 22 9.885 0.272 1.171 1.00 0.00 C ATOM 343 C PRO A 22 10.814 -0.813 1.720 1.00 0.00 C ATOM 344 O PRO A 22 10.608 -1.995 1.459 1.00 0.00 O ATOM 345 CB PRO A 22 10.316 0.645 -0.254 1.00 0.00 C ATOM 346 CG PRO A 22 10.106 2.114 -0.357 1.00 0.00 C ATOM 347 CD PRO A 22 10.359 2.662 1.016 1.00 0.00 C ATOM 0 HA PRO A 22 8.887 -0.158 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.359 0.384 -0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.724 0.110 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.786 2.556 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.093 2.342 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.407 2.927 1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.775 3.563 1.204 1.00 0.00 H new ATOM 355 N THR A 23 11.829 -0.409 2.471 1.00 0.00 N ATOM 356 CA THR A 23 12.793 -1.347 3.036 1.00 0.00 C ATOM 357 C THR A 23 12.234 -2.111 4.235 1.00 0.00 C ATOM 358 O THR A 23 12.315 -3.339 4.295 1.00 0.00 O ATOM 359 CB THR A 23 14.067 -0.609 3.481 1.00 0.00 C ATOM 360 OG1 THR A 23 13.719 0.661 4.052 1.00 0.00 O ATOM 361 CG2 THR A 23 15.011 -0.396 2.307 1.00 0.00 C ATOM 0 H THR A 23 12.008 0.568 2.705 1.00 0.00 H new ATOM 0 HA THR A 23 13.021 -2.063 2.246 1.00 0.00 H new ATOM 0 HB THR A 23 14.573 -1.222 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.534 1.126 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.904 0.128 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.295 -1.362 1.888 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.512 0.199 1.542 1.00 0.00 H new ATOM 369 N LYS A 24 11.660 -1.374 5.179 1.00 0.00 N ATOM 370 CA LYS A 24 11.120 -1.963 6.399 1.00 0.00 C ATOM 371 C LYS A 24 9.839 -2.765 6.167 1.00 0.00 C ATOM 372 O LYS A 24 9.615 -3.773 6.829 1.00 0.00 O ATOM 373 CB LYS A 24 10.869 -0.871 7.444 1.00 0.00 C ATOM 374 CG LYS A 24 11.049 -1.354 8.872 1.00 0.00 C ATOM 375 CD LYS A 24 10.539 -0.341 9.884 1.00 0.00 C ATOM 376 CE LYS A 24 10.553 -0.918 11.287 1.00 0.00 C ATOM 377 NZ LYS A 24 11.928 -0.943 11.857 1.00 0.00 N ATOM 0 H LYS A 24 11.556 -0.361 5.122 1.00 0.00 H new ATOM 0 HA LYS A 24 11.870 -2.666 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.549 -0.039 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.856 -0.487 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.520 -2.297 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.105 -1.552 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.158 0.556 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.525 -0.039 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.903 -0.326 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.148 -1.930 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.899 -1.343 12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.542 -1.529 11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.305 0.026 11.897 1.00 0.00 H new ATOM 391 N ILE A 25 9.006 -2.337 5.226 1.00 0.00 N ATOM 392 CA ILE A 25 7.745 -3.040 4.974 1.00 0.00 C ATOM 393 C ILE A 25 7.921 -4.279 4.096 1.00 0.00 C ATOM 394 O ILE A 25 7.208 -5.266 4.274 1.00 0.00 O ATOM 395 CB ILE A 25 6.678 -2.121 4.341 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.224 -1.427 3.095 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.190 -1.094 5.355 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.155 -1.083 2.086 1.00 0.00 C ATOM 0 H ILE A 25 9.171 -1.524 4.633 1.00 0.00 H new ATOM 0 HA ILE A 25 7.401 -3.360 5.957 1.00 0.00 H new ATOM 0 HB ILE A 25 5.833 -2.740 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.740 -0.514 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.965 -2.073 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.438 -0.454 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.752 -1.607 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.030 -0.484 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.611 -0.593 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.655 -1.995 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.426 -0.413 2.542 1.00 0.00 H new ATOM 410 N LEU A 26 8.872 -4.235 3.163 1.00 0.00 N ATOM 411 CA LEU A 26 9.104 -5.360 2.255 1.00 0.00 C ATOM 412 C LEU A 26 9.547 -6.614 3.002 1.00 0.00 C ATOM 413 O LEU A 26 9.183 -7.728 2.625 1.00 0.00 O ATOM 414 CB LEU A 26 10.151 -4.995 1.201 1.00 0.00 C ATOM 415 CG LEU A 26 9.988 -5.706 -0.141 1.00 0.00 C ATOM 416 CD1 LEU A 26 9.002 -4.955 -1.019 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.331 -5.845 -0.841 1.00 0.00 C ATOM 0 H LEU A 26 9.491 -3.438 3.016 1.00 0.00 H new ATOM 0 HA LEU A 26 8.154 -5.575 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.115 -3.919 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.140 -5.223 1.598 1.00 0.00 H new ATOM 0 HG LEU A 26 9.596 -6.706 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.896 -5.473 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.033 -4.909 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.368 -3.944 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.193 -6.354 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.755 -4.856 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.009 -6.425 -0.215 1.00 0.00 H new ATOM 429 N GLU A 27 10.319 -6.422 4.067 1.00 0.00 N ATOM 430 CA GLU A 27 10.828 -7.533 4.861 1.00 0.00 C ATOM 431 C GLU A 27 9.718 -8.253 5.628 1.00 0.00 C ATOM 432 O GLU A 27 9.686 -9.482 5.673 1.00 0.00 O ATOM 433 CB GLU A 27 11.887 -7.027 5.841 1.00 0.00 C ATOM 434 CG GLU A 27 13.210 -6.674 5.184 1.00 0.00 C ATOM 435 CD GLU A 27 14.242 -6.197 6.185 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.991 -7.045 6.716 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.301 -4.977 6.441 1.00 0.00 O ATOM 0 H GLU A 27 10.607 -5.502 4.401 1.00 0.00 H new ATOM 0 HA GLU A 27 11.270 -8.252 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.501 -6.147 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.061 -7.790 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.595 -7.547 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.046 -5.897 4.437 1.00 0.00 H new ATOM 444 N GLU A 28 8.800 -7.483 6.210 1.00 0.00 N ATOM 445 CA GLU A 28 7.704 -8.049 6.999 1.00 0.00 C ATOM 446 C GLU A 28 6.639 -8.716 6.127 1.00 0.00 C ATOM 447 O GLU A 28 5.911 -9.591 6.596 1.00 0.00 O ATOM 448 CB GLU A 28 7.062 -6.963 7.866 1.00 0.00 C ATOM 449 CG GLU A 28 7.706 -6.822 9.239 1.00 0.00 C ATOM 450 CD GLU A 28 8.939 -5.939 9.222 1.00 0.00 C ATOM 451 OE1 GLU A 28 10.047 -6.464 8.980 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.797 -4.719 9.450 1.00 0.00 O ATOM 0 H GLU A 28 8.792 -6.465 6.151 1.00 0.00 H new ATOM 0 HA GLU A 28 8.134 -8.823 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.125 -6.008 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.003 -7.188 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.978 -6.408 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.977 -7.810 9.611 1.00 0.00 H new ATOM 459 N LEU A 29 6.549 -8.307 4.866 1.00 0.00 N ATOM 460 CA LEU A 29 5.562 -8.871 3.947 1.00 0.00 C ATOM 461 C LEU A 29 6.016 -10.221 3.396 1.00 0.00 C ATOM 462 O LEU A 29 5.221 -11.156 3.285 1.00 0.00 O ATOM 463 CB LEU A 29 5.302 -7.902 2.791 1.00 0.00 C ATOM 464 CG LEU A 29 4.543 -6.629 3.170 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.789 -5.536 2.142 1.00 0.00 C ATOM 466 CD2 LEU A 29 3.056 -6.913 3.300 1.00 0.00 C ATOM 0 H LEU A 29 7.145 -7.588 4.456 1.00 0.00 H new ATOM 0 HA LEU A 29 4.640 -9.026 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.259 -7.619 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.739 -8.425 2.018 1.00 0.00 H new ATOM 0 HG LEU A 29 4.912 -6.283 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.241 -4.638 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.855 -5.312 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.447 -5.873 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.533 -5.996 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.672 -7.284 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.895 -7.664 4.074 1.00 0.00 H new ATOM 478 N LEU A 30 7.300 -10.314 3.058 1.00 0.00 N ATOM 479 CA LEU A 30 7.866 -11.540 2.502 1.00 0.00 C ATOM 480 C LEU A 30 8.040 -12.627 3.561 1.00 0.00 C ATOM 481 O LEU A 30 7.949 -13.817 3.257 1.00 0.00 O ATOM 482 CB LEU A 30 9.213 -11.245 1.843 1.00 0.00 C ATOM 483 CG LEU A 30 9.133 -10.549 0.484 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.378 -9.713 0.237 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.950 -11.575 -0.624 1.00 0.00 C ATOM 0 H LEU A 30 7.970 -9.552 3.160 1.00 0.00 H new ATOM 0 HA LEU A 30 7.162 -11.912 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.801 -10.623 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.754 -12.184 1.722 1.00 0.00 H new ATOM 0 HG LEU A 30 8.270 -9.883 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.302 -9.226 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.469 -8.956 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.257 -10.357 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.895 -11.066 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.795 -12.263 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.029 -12.133 -0.455 1.00 0.00 H new ATOM 497 N ARG A 31 8.290 -12.214 4.802 1.00 0.00 N ATOM 498 CA ARG A 31 8.496 -13.159 5.900 1.00 0.00 C ATOM 499 C ARG A 31 7.185 -13.772 6.386 1.00 0.00 C ATOM 500 O ARG A 31 7.190 -14.784 7.088 1.00 0.00 O ATOM 501 CB ARG A 31 9.209 -12.470 7.063 1.00 0.00 C ATOM 502 CG ARG A 31 10.703 -12.313 6.844 1.00 0.00 C ATOM 503 CD ARG A 31 11.373 -11.641 8.029 1.00 0.00 C ATOM 504 NE ARG A 31 12.795 -11.407 7.795 1.00 0.00 N ATOM 505 CZ ARG A 31 13.636 -10.978 8.732 1.00 0.00 C ATOM 506 NH1 ARG A 31 13.199 -10.738 9.961 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.913 -10.787 8.439 1.00 0.00 N ATOM 0 H ARG A 31 8.355 -11.233 5.073 1.00 0.00 H new ATOM 0 HA ARG A 31 9.117 -13.969 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.767 -11.486 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.041 -13.044 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.152 -13.292 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.880 -11.725 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.879 -10.691 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.249 -12.263 8.916 1.00 0.00 H new ATOM 0 HE ARG A 31 13.164 -11.582 6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.216 -10.882 10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.846 -10.409 10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.252 -10.969 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.558 -10.458 9.158 1.00 0.00 H new ATOM 521 N ARG A 32 6.064 -13.161 6.014 1.00 0.00 N ATOM 522 CA ARG A 32 4.755 -13.665 6.421 1.00 0.00 C ATOM 523 C ARG A 32 4.120 -14.491 5.306 1.00 0.00 C ATOM 524 O ARG A 32 3.129 -15.188 5.526 1.00 0.00 O ATOM 525 CB ARG A 32 3.834 -12.508 6.816 1.00 0.00 C ATOM 526 CG ARG A 32 4.215 -11.857 8.139 1.00 0.00 C ATOM 527 CD ARG A 32 3.556 -12.553 9.318 1.00 0.00 C ATOM 528 NE ARG A 32 3.900 -11.919 10.591 1.00 0.00 N ATOM 529 CZ ARG A 32 3.429 -12.323 11.768 1.00 0.00 C ATOM 530 NH1 ARG A 32 2.601 -13.357 11.832 1.00 0.00 N ATOM 531 NH2 ARG A 32 3.785 -11.694 12.882 1.00 0.00 N ATOM 0 H ARG A 32 6.034 -12.322 5.435 1.00 0.00 H new ATOM 0 HA ARG A 32 4.895 -14.311 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.853 -11.754 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.810 -12.875 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.298 -11.884 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.922 -10.807 8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.474 -12.541 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.863 -13.599 9.339 1.00 0.00 H new ATOM 0 HE ARG A 32 4.537 -11.122 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.325 -13.843 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.240 -13.666 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.422 -10.898 12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.422 -12.007 13.782 1.00 0.00 H new ATOM 545 N GLY A 33 4.704 -14.412 4.111 1.00 0.00 N ATOM 546 CA GLY A 33 4.190 -15.159 2.976 1.00 0.00 C ATOM 547 C GLY A 33 3.012 -14.473 2.308 1.00 0.00 C ATOM 548 O GLY A 33 2.168 -15.131 1.701 1.00 0.00 O ATOM 0 H GLY A 33 5.526 -13.842 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.987 -15.296 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.887 -16.152 3.307 1.00 0.00 H new ATOM 552 N LEU A 34 2.953 -13.149 2.425 1.00 0.00 N ATOM 553 CA LEU A 34 1.868 -12.372 1.832 1.00 0.00 C ATOM 554 C LEU A 34 2.257 -11.811 0.466 1.00 0.00 C ATOM 555 O LEU A 34 1.393 -11.424 -0.319 1.00 0.00 O ATOM 556 CB LEU A 34 1.475 -11.220 2.764 1.00 0.00 C ATOM 557 CG LEU A 34 0.112 -10.581 2.481 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.582 -10.206 3.780 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.271 -9.357 1.589 1.00 0.00 C ATOM 0 H LEU A 34 3.645 -12.591 2.926 1.00 0.00 H new ATOM 0 HA LEU A 34 1.020 -13.043 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.479 -11.588 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.240 -10.446 2.700 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.507 -11.310 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.549 -9.754 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.730 -11.101 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.034 -9.494 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.707 -8.916 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.908 -8.625 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.726 -9.652 0.644 1.00 0.00 H new ATOM 571 N LEU A 35 3.548 -11.802 0.162 1.00 0.00 N ATOM 572 CA LEU A 35 4.008 -11.245 -1.099 1.00 0.00 C ATOM 573 C LEU A 35 4.516 -12.334 -2.039 1.00 0.00 C ATOM 574 O LEU A 35 5.225 -13.250 -1.620 1.00 0.00 O ATOM 575 CB LEU A 35 5.118 -10.222 -0.847 1.00 0.00 C ATOM 576 CG LEU A 35 4.917 -8.867 -1.531 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.803 -7.808 -0.895 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.199 -8.970 -3.024 1.00 0.00 C ATOM 0 H LEU A 35 4.285 -12.169 0.764 1.00 0.00 H new ATOM 0 HA LEU A 35 3.159 -10.754 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.205 -10.060 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.065 -10.645 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 35 3.877 -8.571 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.645 -6.853 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.552 -7.710 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.848 -8.101 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.050 -7.996 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.229 -9.293 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.520 -9.695 -3.473 1.00 0.00 H new ATOM 590 N THR A 36 4.140 -12.227 -3.315 1.00 0.00 N ATOM 591 CA THR A 36 4.559 -13.195 -4.322 1.00 0.00 C ATOM 592 C THR A 36 5.754 -12.668 -5.112 1.00 0.00 C ATOM 593 O THR A 36 5.938 -11.459 -5.237 1.00 0.00 O ATOM 594 CB THR A 36 3.418 -13.525 -5.305 1.00 0.00 C ATOM 595 OG1 THR A 36 2.854 -12.316 -5.824 1.00 0.00 O ATOM 596 CG2 THR A 36 2.336 -14.347 -4.622 1.00 0.00 C ATOM 0 H THR A 36 3.546 -11.479 -3.672 1.00 0.00 H new ATOM 0 HA THR A 36 4.839 -14.105 -3.790 1.00 0.00 H new ATOM 0 HB THR A 36 3.832 -14.112 -6.125 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.905 -12.268 -5.583 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.542 -14.567 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.764 -15.280 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.925 -13.783 -3.784 1.00 0.00 H new ATOM 604 N PRO A 37 6.587 -13.575 -5.648 1.00 0.00 N ATOM 605 CA PRO A 37 7.769 -13.200 -6.437 1.00 0.00 C ATOM 606 C PRO A 37 7.413 -12.474 -7.737 1.00 0.00 C ATOM 607 O PRO A 37 8.199 -11.674 -8.236 1.00 0.00 O ATOM 608 CB PRO A 37 8.446 -14.544 -6.734 1.00 0.00 C ATOM 609 CG PRO A 37 7.377 -15.567 -6.565 1.00 0.00 C ATOM 610 CD PRO A 37 6.456 -15.034 -5.508 1.00 0.00 C ATOM 0 HA PRO A 37 8.405 -12.498 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.854 -14.564 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.276 -14.726 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.843 -15.731 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.799 -16.527 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.429 -15.363 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.748 -15.370 -4.513 1.00 0.00 H new ATOM 618 N ALA A 38 6.222 -12.752 -8.273 1.00 0.00 N ATOM 619 CA ALA A 38 5.762 -12.122 -9.511 1.00 0.00 C ATOM 620 C ALA A 38 5.469 -10.640 -9.296 1.00 0.00 C ATOM 621 O ALA A 38 5.851 -9.796 -10.110 1.00 0.00 O ATOM 622 CB ALA A 38 4.523 -12.838 -10.029 1.00 0.00 C ATOM 0 H ALA A 38 5.558 -13.411 -7.867 1.00 0.00 H new ATOM 0 HA ALA A 38 6.556 -12.203 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.187 -12.363 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.762 -13.883 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.731 -12.781 -9.282 1.00 0.00 H new ATOM 628 N GLU A 39 4.793 -10.332 -8.192 1.00 0.00 N ATOM 629 CA GLU A 39 4.447 -8.956 -7.850 1.00 0.00 C ATOM 630 C GLU A 39 5.681 -8.192 -7.373 1.00 0.00 C ATOM 631 O GLU A 39 5.821 -6.989 -7.619 1.00 0.00 O ATOM 632 CB GLU A 39 3.373 -8.945 -6.758 1.00 0.00 C ATOM 633 CG GLU A 39 1.976 -9.273 -7.264 1.00 0.00 C ATOM 634 CD GLU A 39 1.000 -9.546 -6.135 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.768 -8.632 -5.316 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.469 -10.675 -6.069 1.00 0.00 O ATOM 0 H GLU A 39 4.472 -11.024 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 39 4.059 -8.465 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.647 -9.663 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.357 -7.962 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.607 -8.443 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.025 -10.144 -7.917 1.00 0.00 H new ATOM 643 N LEU A 40 6.578 -8.910 -6.700 1.00 0.00 N ATOM 644 CA LEU A 40 7.803 -8.323 -6.168 1.00 0.00 C ATOM 645 C LEU A 40 8.765 -7.915 -7.272 1.00 0.00 C ATOM 646 O LEU A 40 9.289 -6.808 -7.256 1.00 0.00 O ATOM 647 CB LEU A 40 8.504 -9.302 -5.233 1.00 0.00 C ATOM 648 CG LEU A 40 9.511 -8.661 -4.276 1.00 0.00 C ATOM 649 CD1 LEU A 40 8.813 -8.175 -3.021 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.625 -9.637 -3.923 1.00 0.00 C ATOM 0 H LEU A 40 6.476 -9.907 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 40 7.511 -7.429 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.750 -9.827 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.020 -10.051 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 40 9.959 -7.804 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.543 -7.722 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.058 -7.436 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.335 -9.018 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.327 -9.157 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.199 -10.518 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.148 -9.936 -4.831 1.00 0.00 H new ATOM 662 N GLN A 41 8.988 -8.816 -8.227 1.00 0.00 N ATOM 663 CA GLN A 41 9.904 -8.558 -9.336 1.00 0.00 C ATOM 664 C GLN A 41 9.437 -7.388 -10.192 1.00 0.00 C ATOM 665 O GLN A 41 10.234 -6.778 -10.897 1.00 0.00 O ATOM 666 CB GLN A 41 10.045 -9.806 -10.207 1.00 0.00 C ATOM 667 CG GLN A 41 10.982 -10.851 -9.623 1.00 0.00 C ATOM 668 CD GLN A 41 12.442 -10.567 -9.922 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.958 -10.954 -10.969 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.115 -9.890 -9.000 1.00 0.00 N ATOM 0 H GLN A 41 8.545 -9.734 -8.255 1.00 0.00 H new ATOM 0 HA GLN A 41 10.872 -8.299 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.061 -10.252 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.409 -9.513 -11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.840 -10.897 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.719 -11.831 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.647 -9.588 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.101 -9.671 -9.146 1.00 0.00 H new ATOM 679 N GLU A 42 8.147 -7.084 -10.128 1.00 0.00 N ATOM 680 CA GLU A 42 7.588 -5.990 -10.907 1.00 0.00 C ATOM 681 C GLU A 42 7.954 -4.632 -10.305 1.00 0.00 C ATOM 682 O GLU A 42 8.573 -3.788 -10.965 1.00 0.00 O ATOM 683 CB GLU A 42 6.071 -6.131 -10.970 1.00 0.00 C ATOM 684 CG GLU A 42 5.567 -6.933 -12.160 1.00 0.00 C ATOM 685 CD GLU A 42 4.054 -7.013 -12.200 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.425 -6.086 -12.755 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.496 -7.996 -11.671 1.00 0.00 O ATOM 0 H GLU A 42 7.471 -7.579 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 42 8.008 -6.039 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.723 -6.606 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.626 -5.136 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.929 -6.478 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.981 -7.940 -12.118 1.00 0.00 H new ATOM 694 N VAL A 43 7.598 -4.443 -9.033 1.00 0.00 N ATOM 695 CA VAL A 43 7.871 -3.187 -8.339 1.00 0.00 C ATOM 696 C VAL A 43 9.362 -3.028 -8.030 1.00 0.00 C ATOM 697 O VAL A 43 9.870 -1.914 -7.951 1.00 0.00 O ATOM 698 CB VAL A 43 7.033 -3.063 -7.038 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.303 -4.224 -6.096 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.290 -1.735 -6.337 1.00 0.00 C ATOM 0 H VAL A 43 7.121 -5.143 -8.465 1.00 0.00 H new ATOM 0 HA VAL A 43 7.576 -2.382 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 43 5.982 -3.096 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.702 -4.108 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.042 -5.161 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.359 -4.237 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.688 -1.680 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.346 -1.659 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.020 -0.914 -7.002 1.00 0.00 H new ATOM 710 N LEU A 44 10.069 -4.143 -7.882 1.00 0.00 N ATOM 711 CA LEU A 44 11.497 -4.095 -7.587 1.00 0.00 C ATOM 712 C LEU A 44 12.305 -3.790 -8.842 1.00 0.00 C ATOM 713 O LEU A 44 13.417 -3.265 -8.761 1.00 0.00 O ATOM 714 CB LEU A 44 11.958 -5.408 -6.966 1.00 0.00 C ATOM 715 CG LEU A 44 13.332 -5.359 -6.299 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.206 -4.878 -4.863 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.995 -6.725 -6.352 1.00 0.00 C ATOM 0 H LEU A 44 9.681 -5.083 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 44 11.666 -3.291 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.222 -5.720 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.974 -6.174 -7.742 1.00 0.00 H new ATOM 0 HG LEU A 44 13.959 -4.653 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.193 -4.848 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.770 -3.879 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.565 -5.561 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.973 -6.674 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.373 -7.452 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.116 -7.031 -7.391 1.00 0.00 H new ATOM 729 N ASP A 45 11.741 -4.122 -10.003 1.00 0.00 N ATOM 730 CA ASP A 45 12.405 -3.865 -11.274 1.00 0.00 C ATOM 731 C ASP A 45 12.393 -2.378 -11.601 1.00 0.00 C ATOM 732 O ASP A 45 13.395 -1.835 -12.067 1.00 0.00 O ATOM 733 CB ASP A 45 11.730 -4.645 -12.402 1.00 0.00 C ATOM 734 CG ASP A 45 12.692 -4.995 -13.520 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.378 -6.033 -13.410 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.763 -4.228 -14.504 1.00 0.00 O ATOM 0 H ASP A 45 10.828 -4.568 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 45 13.439 -4.196 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.298 -5.561 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.907 -4.055 -12.806 1.00 0.00 H new ATOM 741 N LEU A 46 11.264 -1.715 -11.350 1.00 0.00 N ATOM 742 CA LEU A 46 11.162 -0.286 -11.638 1.00 0.00 C ATOM 743 C LEU A 46 11.913 0.545 -10.607 1.00 0.00 C ATOM 744 O LEU A 46 11.961 0.203 -9.425 1.00 0.00 O ATOM 745 CB LEU A 46 9.704 0.185 -11.702 1.00 0.00 C ATOM 746 CG LEU A 46 8.746 -0.458 -10.697 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.536 0.458 -9.505 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.415 -0.772 -11.359 1.00 0.00 C ATOM 0 H LEU A 46 10.423 -2.135 -10.955 1.00 0.00 H new ATOM 0 HA LEU A 46 11.618 -0.139 -12.617 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.685 1.265 -11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.326 -0.004 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 46 9.189 -1.390 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.852 -0.014 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.492 0.643 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.113 1.404 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.745 -1.229 -10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.969 0.149 -11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.575 -1.462 -12.188 1.00 0.00 H new ATOM 760 N LYS A 47 12.497 1.640 -11.071 1.00 0.00 N ATOM 761 CA LYS A 47 13.235 2.541 -10.201 1.00 0.00 C ATOM 762 C LYS A 47 12.492 3.861 -10.064 1.00 0.00 C ATOM 763 O LYS A 47 13.032 4.842 -9.555 1.00 0.00 O ATOM 764 CB LYS A 47 14.636 2.788 -10.754 1.00 0.00 C ATOM 765 CG LYS A 47 15.577 1.614 -10.566 1.00 0.00 C ATOM 766 CD LYS A 47 16.947 1.906 -11.152 1.00 0.00 C ATOM 767 CE LYS A 47 17.886 0.722 -10.996 1.00 0.00 C ATOM 768 NZ LYS A 47 19.226 1.002 -11.580 1.00 0.00 N ATOM 0 H LYS A 47 12.473 1.926 -12.050 1.00 0.00 H new ATOM 0 HA LYS A 47 13.323 2.078 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.563 3.018 -11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.061 3.665 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.674 1.389 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.157 0.728 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.846 2.154 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.376 2.779 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.993 0.479 -9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.453 -0.153 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.840 0.172 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.126 1.209 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.650 1.821 -11.099 1.00 0.00 H new ATOM 782 N THR A 48 11.249 3.876 -10.533 1.00 0.00 N ATOM 783 CA THR A 48 10.419 5.072 -10.478 1.00 0.00 C ATOM 784 C THR A 48 9.669 5.160 -9.148 1.00 0.00 C ATOM 785 O THR A 48 8.798 4.341 -8.870 1.00 0.00 O ATOM 786 CB THR A 48 9.416 5.087 -11.644 1.00 0.00 C ATOM 787 OG1 THR A 48 8.975 3.752 -11.919 1.00 0.00 O ATOM 788 CG2 THR A 48 10.057 5.671 -12.891 1.00 0.00 C ATOM 0 H THR A 48 10.793 3.068 -10.957 1.00 0.00 H new ATOM 0 HA THR A 48 11.077 5.937 -10.563 1.00 0.00 H new ATOM 0 HB THR A 48 8.565 5.706 -11.361 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.335 3.765 -12.661 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.333 5.674 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.380 6.692 -12.690 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.919 5.067 -13.174 1.00 0.00 H new ATOM 796 N PRO A 49 10.006 6.166 -8.319 1.00 0.00 N ATOM 797 CA PRO A 49 9.383 6.374 -6.997 1.00 0.00 C ATOM 798 C PRO A 49 7.865 6.527 -7.064 1.00 0.00 C ATOM 799 O PRO A 49 7.147 6.063 -6.177 1.00 0.00 O ATOM 800 CB PRO A 49 10.028 7.673 -6.501 1.00 0.00 C ATOM 801 CG PRO A 49 11.300 7.789 -7.265 1.00 0.00 C ATOM 802 CD PRO A 49 11.026 7.189 -8.609 1.00 0.00 C ATOM 0 HA PRO A 49 9.544 5.517 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.379 8.530 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.214 7.636 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.607 8.831 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.109 7.262 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.660 7.934 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.924 6.750 -9.045 1.00 0.00 H new ATOM 810 N GLU A 50 7.382 7.184 -8.117 1.00 0.00 N ATOM 811 CA GLU A 50 5.950 7.391 -8.305 1.00 0.00 C ATOM 812 C GLU A 50 5.238 6.062 -8.547 1.00 0.00 C ATOM 813 O GLU A 50 4.158 5.820 -8.011 1.00 0.00 O ATOM 814 CB GLU A 50 5.700 8.336 -9.480 1.00 0.00 C ATOM 815 CG GLU A 50 6.019 9.792 -9.180 1.00 0.00 C ATOM 816 CD GLU A 50 5.745 10.695 -10.365 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.603 11.186 -10.487 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.673 10.910 -11.174 1.00 0.00 O ATOM 0 H GLU A 50 7.964 7.582 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 50 5.550 7.840 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.301 8.010 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.655 8.258 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.426 10.124 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.067 9.881 -8.893 1.00 0.00 H new ATOM 825 N GLU A 51 5.863 5.199 -9.349 1.00 0.00 N ATOM 826 CA GLU A 51 5.295 3.891 -9.667 1.00 0.00 C ATOM 827 C GLU A 51 5.391 2.949 -8.468 1.00 0.00 C ATOM 828 O GLU A 51 4.532 2.091 -8.286 1.00 0.00 O ATOM 829 CB GLU A 51 6.007 3.277 -10.875 1.00 0.00 C ATOM 830 CG GLU A 51 5.159 2.277 -11.646 1.00 0.00 C ATOM 831 CD GLU A 51 5.512 2.231 -13.121 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.656 1.847 -13.445 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.645 2.575 -13.950 1.00 0.00 O ATOM 0 H GLU A 51 6.764 5.384 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 51 4.242 4.032 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.312 4.077 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.917 2.782 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.290 1.285 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.106 2.537 -11.536 1.00 0.00 H new ATOM 840 N GLN A 52 6.446 3.108 -7.662 1.00 0.00 N ATOM 841 CA GLN A 52 6.646 2.279 -6.473 1.00 0.00 C ATOM 842 C GLN A 52 5.481 2.429 -5.499 1.00 0.00 C ATOM 843 O GLN A 52 4.931 1.436 -5.018 1.00 0.00 O ATOM 844 CB GLN A 52 7.955 2.655 -5.776 1.00 0.00 C ATOM 845 CG GLN A 52 9.193 2.329 -6.592 1.00 0.00 C ATOM 846 CD GLN A 52 10.192 1.474 -5.842 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.887 1.953 -4.947 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.272 0.202 -6.207 1.00 0.00 N ATOM 0 H GLN A 52 7.175 3.805 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 52 6.697 1.239 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.946 3.722 -5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.012 2.133 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.894 1.812 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.675 3.258 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.676 -0.152 -6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.930 -0.422 -5.740 1.00 0.00 H new ATOM 857 N ALA A 53 5.112 3.677 -5.216 1.00 0.00 N ATOM 858 CA ALA A 53 4.008 3.966 -4.308 1.00 0.00 C ATOM 859 C ALA A 53 2.682 3.497 -4.897 1.00 0.00 C ATOM 860 O ALA A 53 1.804 3.039 -4.169 1.00 0.00 O ATOM 861 CB ALA A 53 3.957 5.454 -3.988 1.00 0.00 C ATOM 0 H ALA A 53 5.564 4.505 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 53 4.178 3.419 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.127 5.652 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.892 5.757 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.815 6.020 -4.909 1.00 0.00 H new ATOM 867 N LYS A 54 2.557 3.603 -6.223 1.00 0.00 N ATOM 868 CA LYS A 54 1.348 3.182 -6.930 1.00 0.00 C ATOM 869 C LYS A 54 1.216 1.661 -6.927 1.00 0.00 C ATOM 870 O LYS A 54 0.110 1.128 -6.963 1.00 0.00 O ATOM 871 CB LYS A 54 1.375 3.690 -8.371 1.00 0.00 C ATOM 872 CG LYS A 54 0.979 5.152 -8.510 1.00 0.00 C ATOM 873 CD LYS A 54 1.248 5.668 -9.916 1.00 0.00 C ATOM 874 CE LYS A 54 0.933 7.150 -10.043 1.00 0.00 C ATOM 875 NZ LYS A 54 1.217 7.663 -11.414 1.00 0.00 N ATOM 0 H LYS A 54 3.285 3.980 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 54 0.489 3.608 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.378 3.554 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.702 3.081 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.079 5.268 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.534 5.751 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.293 5.495 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.647 5.106 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.116 7.320 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.522 7.710 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.989 8.677 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.224 7.524 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.636 7.146 -12.105 1.00 0.00 H new ATOM 889 N LYS A 55 2.353 0.973 -6.892 1.00 0.00 N ATOM 890 CA LYS A 55 2.366 -0.482 -6.871 1.00 0.00 C ATOM 891 C LYS A 55 1.827 -0.990 -5.544 1.00 0.00 C ATOM 892 O LYS A 55 1.074 -1.955 -5.508 1.00 0.00 O ATOM 893 CB LYS A 55 3.784 -1.018 -7.097 1.00 0.00 C ATOM 894 CG LYS A 55 4.203 -1.050 -8.560 1.00 0.00 C ATOM 895 CD LYS A 55 3.709 -2.307 -9.258 1.00 0.00 C ATOM 896 CE LYS A 55 3.474 -2.067 -10.741 1.00 0.00 C ATOM 897 NZ LYS A 55 3.374 -3.343 -11.502 1.00 0.00 N ATOM 0 H LYS A 55 3.278 1.403 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 55 1.728 -0.841 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.489 -0.400 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.851 -2.026 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.809 -0.171 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.290 -0.998 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.439 -3.106 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.783 -2.643 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.558 -1.492 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.289 -1.466 -11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.748 -3.210 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.319 -3.626 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.985 -4.085 -10.886 1.00 0.00 H new ATOM 911 N LEU A 56 2.194 -0.312 -4.461 1.00 0.00 N ATOM 912 CA LEU A 56 1.758 -0.703 -3.125 1.00 0.00 C ATOM 913 C LEU A 56 0.254 -0.561 -2.953 1.00 0.00 C ATOM 914 O LEU A 56 -0.396 -1.476 -2.453 1.00 0.00 O ATOM 915 CB LEU A 56 2.472 0.118 -2.063 1.00 0.00 C ATOM 916 CG LEU A 56 2.514 -0.533 -0.679 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.688 -1.493 -0.582 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.594 0.525 0.412 1.00 0.00 C ATOM 0 H LEU A 56 2.794 0.513 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 56 2.016 -1.755 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.494 0.306 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.980 1.087 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 56 1.593 -1.098 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.705 -1.948 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.585 -2.272 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.618 -0.949 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.623 0.040 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.497 1.120 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.720 1.173 0.355 1.00 0.00 H new ATOM 930 N ILE A 57 -0.300 0.586 -3.355 1.00 0.00 N ATOM 931 CA ILE A 57 -1.739 0.803 -3.238 1.00 0.00 C ATOM 932 C ILE A 57 -2.492 -0.181 -4.110 1.00 0.00 C ATOM 933 O ILE A 57 -3.627 -0.547 -3.818 1.00 0.00 O ATOM 934 CB ILE A 57 -2.173 2.229 -3.638 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.206 2.856 -4.634 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.309 3.098 -2.408 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.890 3.759 -5.638 1.00 0.00 C ATOM 0 H ILE A 57 0.219 1.366 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.978 0.658 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.143 2.156 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.455 3.430 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.678 2.065 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.616 4.101 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.059 2.671 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.351 3.149 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.147 4.174 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.621 3.184 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.395 4.570 -5.113 1.00 0.00 H new ATOM 949 N ASP A 58 -1.836 -0.612 -5.176 1.00 0.00 N ATOM 950 CA ASP A 58 -2.429 -1.552 -6.100 1.00 0.00 C ATOM 951 C ASP A 58 -2.341 -2.979 -5.563 1.00 0.00 C ATOM 952 O ASP A 58 -3.095 -3.849 -5.981 1.00 0.00 O ATOM 953 CB ASP A 58 -1.740 -1.456 -7.465 1.00 0.00 C ATOM 954 CG ASP A 58 -2.536 -0.636 -8.462 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.430 0.607 -8.430 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.265 -1.237 -9.277 1.00 0.00 O ATOM 0 H ASP A 58 -0.889 -0.321 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.483 -1.298 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.753 -1.011 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.589 -2.459 -7.863 1.00 0.00 H new ATOM 961 N PHE A 59 -1.423 -3.216 -4.625 1.00 0.00 N ATOM 962 CA PHE A 59 -1.255 -4.548 -4.046 1.00 0.00 C ATOM 963 C PHE A 59 -2.188 -4.764 -2.855 1.00 0.00 C ATOM 964 O PHE A 59 -2.502 -5.899 -2.503 1.00 0.00 O ATOM 965 CB PHE A 59 0.198 -4.770 -3.607 1.00 0.00 C ATOM 966 CG PHE A 59 1.178 -4.877 -4.741 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.795 -5.393 -5.970 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.487 -4.448 -4.578 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.697 -5.480 -7.011 1.00 0.00 C ATOM 970 CE2 PHE A 59 3.392 -4.531 -5.619 1.00 0.00 C ATOM 971 CZ PHE A 59 2.996 -5.047 -6.837 1.00 0.00 C ATOM 0 H PHE A 59 -0.789 -2.509 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.512 -5.271 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.499 -3.947 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.250 -5.681 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.221 -5.731 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.802 -4.045 -3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.386 -5.887 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.408 -4.193 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.701 -5.112 -7.652 1.00 0.00 H new ATOM 981 N ILE A 60 -2.630 -3.673 -2.237 1.00 0.00 N ATOM 982 CA ILE A 60 -3.511 -3.761 -1.074 1.00 0.00 C ATOM 983 C ILE A 60 -4.984 -3.557 -1.440 1.00 0.00 C ATOM 984 O ILE A 60 -5.871 -4.117 -0.796 1.00 0.00 O ATOM 985 CB ILE A 60 -3.115 -2.736 0.018 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.964 -1.333 -0.574 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.819 -3.155 0.695 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.127 -0.412 -0.270 1.00 0.00 C ATOM 0 H ILE A 60 -2.395 -2.721 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.389 -4.772 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.913 -2.713 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.048 -0.884 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.851 -1.415 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.555 -2.424 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.950 -4.133 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.022 -3.208 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.947 0.563 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.044 -0.837 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.228 -0.298 0.809 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.243 -2.768 -2.480 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.614 -2.480 -2.895 1.00 0.00 C ATOM 1002 C LEU A 61 -7.169 -3.538 -3.845 1.00 0.00 C ATOM 1003 O LEU A 61 -8.363 -3.538 -4.147 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.692 -1.106 -3.561 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.033 -0.391 -3.405 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.126 0.268 -2.039 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.222 0.637 -4.510 1.00 0.00 C ATOM 0 H LEU A 61 -4.525 -2.318 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.225 -2.490 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.908 -0.472 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.479 -1.221 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.830 -1.130 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.087 0.773 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.036 -0.491 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.321 0.995 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.183 1.136 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.421 1.374 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.198 0.138 -5.479 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.315 -4.443 -4.312 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.752 -5.479 -5.244 1.00 0.00 C ATOM 1021 C LYS A 62 -7.041 -6.802 -4.548 1.00 0.00 C ATOM 1022 O LYS A 62 -7.664 -7.687 -5.134 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.701 -5.690 -6.328 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.801 -4.688 -7.462 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.767 -4.967 -8.537 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.757 -3.877 -9.590 1.00 0.00 C ATOM 1027 NZ LYS A 62 -5.938 -3.971 -10.489 1.00 0.00 N ATOM 0 H LYS A 62 -5.326 -4.482 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.683 -5.132 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.709 -5.625 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.803 -6.697 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.800 -4.726 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.661 -3.680 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.779 -5.045 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.979 -5.927 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.746 -2.901 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.843 -3.949 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.897 -3.210 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.935 -4.892 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.809 -3.877 -9.929 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.597 -6.944 -3.304 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.817 -8.180 -2.569 1.00 0.00 C ATOM 1043 C LEU A 63 -8.082 -8.116 -1.717 1.00 0.00 C ATOM 1044 O LEU A 63 -8.728 -7.071 -1.608 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.604 -8.503 -1.699 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.379 -9.013 -2.463 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.126 -8.876 -1.616 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.575 -10.460 -2.891 1.00 0.00 C ATOM 0 H LEU A 63 -6.088 -6.226 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.954 -8.978 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.322 -7.606 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.893 -9.253 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.259 -8.404 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.266 -9.244 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.972 -7.827 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.239 -9.458 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.693 -10.802 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.724 -11.083 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.449 -10.533 -3.539 1.00 0.00 H new ATOM 1060 N SER A 64 -8.422 -9.253 -1.120 1.00 0.00 N ATOM 1061 CA SER A 64 -9.606 -9.382 -0.275 1.00 0.00 C ATOM 1062 C SER A 64 -9.427 -8.620 1.047 1.00 0.00 C ATOM 1063 O SER A 64 -8.302 -8.377 1.477 1.00 0.00 O ATOM 1064 CB SER A 64 -9.857 -10.874 -0.009 1.00 0.00 C ATOM 1065 OG SER A 64 -11.205 -11.129 0.346 1.00 0.00 O ATOM 0 H SER A 64 -7.883 -10.115 -1.208 1.00 0.00 H new ATOM 0 HA SER A 64 -10.465 -8.947 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.601 -11.449 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.200 -11.215 0.791 1.00 0.00 H new ATOM 0 HG SER A 64 -11.305 -11.066 1.319 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.541 -8.203 1.688 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.513 -7.482 2.976 1.00 0.00 C ATOM 1073 C PRO A 65 -9.721 -8.212 4.070 1.00 0.00 C ATOM 1074 O PRO A 65 -9.199 -7.583 4.989 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.997 -7.366 3.366 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.727 -8.293 2.453 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.917 -8.356 1.194 1.00 0.00 C ATOM 0 HA PRO A 65 -10.008 -6.522 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.151 -7.642 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.353 -6.342 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.829 -9.281 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.734 -7.929 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.056 -9.301 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.188 -7.562 0.498 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.648 -9.540 3.977 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.915 -10.344 4.956 1.00 0.00 C ATOM 1087 C ALA A 66 -7.404 -10.248 4.734 1.00 0.00 C ATOM 1088 O ALA A 66 -6.614 -10.527 5.637 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.372 -11.793 4.882 1.00 0.00 C ATOM 0 H ALA A 66 -10.088 -10.082 3.233 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.130 -9.952 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.822 -12.386 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.439 -11.849 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.183 -12.184 3.882 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.014 -9.849 3.523 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.602 -9.711 3.160 1.00 0.00 C ATOM 1097 C ASP A 67 -4.982 -8.456 3.777 1.00 0.00 C ATOM 1098 O ASP A 67 -3.842 -8.483 4.244 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.463 -9.662 1.635 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.558 -11.035 0.999 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.511 -11.699 0.860 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.682 -11.444 0.640 1.00 0.00 O ATOM 0 H ASP A 67 -7.662 -9.614 2.771 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.068 -10.576 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.241 -9.020 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.506 -9.210 1.375 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.739 -7.359 3.777 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.261 -6.091 4.329 1.00 0.00 C ATOM 1109 C VAL A 68 -5.221 -6.115 5.855 1.00 0.00 C ATOM 1110 O VAL A 68 -4.382 -5.451 6.458 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.107 -4.881 3.869 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.741 -4.474 2.452 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.596 -5.168 3.973 1.00 0.00 C ATOM 0 H VAL A 68 -6.686 -7.323 3.401 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.249 -5.972 3.941 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.881 -4.051 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.349 -3.621 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.687 -4.200 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.925 -5.308 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.159 -4.295 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.847 -6.022 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.852 -5.393 5.008 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.135 -6.874 6.467 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.229 -6.976 7.930 1.00 0.00 C ATOM 1125 C GLN A 69 -4.881 -7.288 8.585 1.00 0.00 C ATOM 1126 O GLN A 69 -4.560 -6.744 9.642 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.252 -8.045 8.319 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.982 -7.742 9.617 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.083 -6.715 9.433 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -8.856 -5.514 9.571 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -10.282 -7.185 9.114 1.00 0.00 N ATOM 0 H GLN A 69 -6.827 -7.432 5.968 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.552 -6.002 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.982 -8.147 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.745 -9.005 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.410 -8.663 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.268 -7.378 10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.425 -8.190 9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.061 -6.542 8.973 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.098 -8.159 7.954 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.792 -8.546 8.479 1.00 0.00 C ATOM 1142 C ALA A 70 -1.770 -7.417 8.340 1.00 0.00 C ATOM 1143 O ALA A 70 -0.920 -7.228 9.212 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.302 -9.798 7.765 1.00 0.00 C ATOM 0 H ALA A 70 -4.347 -8.612 7.075 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.903 -8.755 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.327 -10.084 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.011 -10.610 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.217 -9.598 6.697 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.863 -6.669 7.243 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.948 -5.559 6.977 1.00 0.00 C ATOM 1152 C ARG A 71 -1.250 -4.354 7.865 1.00 0.00 C ATOM 1153 O ARG A 71 -0.354 -3.573 8.185 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.027 -5.155 5.509 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.435 -6.186 4.564 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.653 -5.798 3.112 1.00 0.00 C ATOM 1157 NE ARG A 71 -2.004 -6.123 2.661 1.00 0.00 N ATOM 1158 CZ ARG A 71 -2.300 -6.529 1.429 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.347 -6.660 0.517 1.00 0.00 N ATOM 1160 NH2 ARG A 71 -3.557 -6.799 1.106 1.00 0.00 N ATOM 0 H ARG A 71 -2.567 -6.812 6.519 1.00 0.00 H new ATOM 0 HA ARG A 71 0.061 -5.900 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.070 -4.986 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.506 -4.207 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.633 -6.289 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.889 -7.159 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.477 -4.729 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.074 -6.314 2.485 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.767 -6.033 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.378 -6.449 0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.582 -6.972 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.296 -6.695 1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.785 -7.110 0.162 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.516 -4.196 8.247 1.00 0.00 N ATOM 1175 CA ILE A 72 -2.916 -3.091 9.115 1.00 0.00 C ATOM 1176 C ILE A 72 -2.373 -3.322 10.526 1.00 0.00 C ATOM 1177 O ILE A 72 -2.104 -2.376 11.270 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.460 -2.934 9.164 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.009 -2.612 7.774 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -4.870 -1.845 10.149 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.420 -3.116 7.546 1.00 0.00 C ATOM 0 H ILE A 72 -3.278 -4.815 7.971 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.499 -2.171 8.704 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.881 -3.881 9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.990 -1.532 7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.351 -3.048 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.956 -1.757 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.514 -2.104 11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.433 -0.894 9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.743 -2.851 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.442 -4.200 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.091 -2.660 8.274 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.189 -4.599 10.867 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.679 -4.995 12.178 1.00 0.00 C ATOM 1195 C ASN A 73 -0.211 -4.608 12.356 1.00 0.00 C ATOM 1196 O ASN A 73 0.175 -4.100 13.409 1.00 0.00 O ATOM 1197 CB ASN A 73 -1.840 -6.504 12.371 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.084 -6.862 13.161 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.068 -6.876 14.391 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.170 -7.155 12.456 1.00 0.00 N ATOM 0 H ASN A 73 -2.388 -5.383 10.245 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.261 -4.463 12.931 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.882 -6.989 11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.962 -6.896 12.885 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.036 -7.404 12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.138 -7.131 11.437 1.00 0.00 H new ATOM 1207 N VAL A 74 0.610 -4.853 11.332 1.00 0.00 N ATOM 1208 CA VAL A 74 2.030 -4.520 11.413 1.00 0.00 C ATOM 1209 C VAL A 74 2.250 -3.014 11.299 1.00 0.00 C ATOM 1210 O VAL A 74 3.088 -2.454 11.999 1.00 0.00 O ATOM 1211 CB VAL A 74 2.882 -5.250 10.344 1.00 0.00 C ATOM 1212 CG1 VAL A 74 3.056 -6.717 10.707 1.00 0.00 C ATOM 1213 CG2 VAL A 74 2.275 -5.109 8.956 1.00 0.00 C ATOM 0 H VAL A 74 0.320 -5.275 10.450 1.00 0.00 H new ATOM 0 HA VAL A 74 2.362 -4.864 12.393 1.00 0.00 H new ATOM 0 HB VAL A 74 3.864 -4.778 10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.657 -7.212 9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.557 -6.796 11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.079 -7.196 10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.898 -5.633 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.274 -5.539 8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.218 -4.054 8.689 1.00 0.00 H new ATOM 1223 N LEU A 75 1.481 -2.360 10.429 1.00 0.00 N ATOM 1224 CA LEU A 75 1.594 -0.916 10.229 1.00 0.00 C ATOM 1225 C LEU A 75 1.277 -0.151 11.509 1.00 0.00 C ATOM 1226 O LEU A 75 1.901 0.865 11.805 1.00 0.00 O ATOM 1227 CB LEU A 75 0.655 -0.463 9.108 1.00 0.00 C ATOM 1228 CG LEU A 75 1.220 0.620 8.189 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.406 0.084 7.404 1.00 0.00 C ATOM 1230 CD2 LEU A 75 0.147 1.137 7.246 1.00 0.00 C ATOM 0 H LEU A 75 0.771 -2.809 9.850 1.00 0.00 H new ATOM 0 HA LEU A 75 2.625 -0.698 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.391 -1.330 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.268 -0.094 9.555 1.00 0.00 H new ATOM 0 HG LEU A 75 1.561 1.451 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.797 0.867 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.185 -0.236 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.088 -0.764 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.570 1.907 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.226 0.316 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.674 1.560 7.825 1.00 0.00 H new ATOM 1242 N ARG A 76 0.320 -0.661 12.273 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.100 -0.030 13.513 1.00 0.00 C ATOM 1244 C ARG A 76 0.966 -0.117 14.608 1.00 0.00 C ATOM 1245 O ARG A 76 1.201 0.852 15.329 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.393 -0.681 13.997 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.369 0.305 14.607 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.397 0.768 13.591 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.379 1.670 14.185 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.442 2.134 13.536 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.663 1.777 12.277 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.291 2.951 14.148 1.00 0.00 N ATOM 0 H ARG A 76 -0.184 -1.520 12.050 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.260 1.028 13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.873 -1.186 13.159 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.152 -1.447 14.734 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.875 -0.159 15.454 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.824 1.166 14.994 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.892 1.272 12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.907 -0.098 13.170 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.242 1.961 15.153 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.016 1.145 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.480 2.135 11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.128 3.223 15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.106 3.306 13.649 1.00 0.00 H new ATOM 1266 N ALA A 77 1.616 -1.269 14.726 1.00 0.00 N ATOM 1267 CA ALA A 77 2.625 -1.471 15.764 1.00 0.00 C ATOM 1268 C ALA A 77 4.027 -1.015 15.352 1.00 0.00 C ATOM 1269 O ALA A 77 4.879 -0.797 16.213 1.00 0.00 O ATOM 1270 CB ALA A 77 2.652 -2.934 16.180 1.00 0.00 C ATOM 0 H ALA A 77 1.465 -2.075 14.120 1.00 0.00 H new ATOM 0 HA ALA A 77 2.335 -0.844 16.607 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.406 -3.078 16.954 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.674 -3.220 16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.895 -3.553 15.317 1.00 0.00 H new ATOM 1276 N HIS A 78 4.268 -0.858 14.053 1.00 0.00 N ATOM 1277 CA HIS A 78 5.592 -0.449 13.574 1.00 0.00 C ATOM 1278 C HIS A 78 5.788 1.069 13.596 1.00 0.00 C ATOM 1279 O HIS A 78 6.853 1.563 13.229 1.00 0.00 O ATOM 1280 CB HIS A 78 5.848 -0.998 12.167 1.00 0.00 C ATOM 1281 CG HIS A 78 6.465 -2.365 12.180 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.825 -2.575 12.246 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.899 -3.596 12.165 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.069 -3.874 12.272 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.917 -4.513 12.225 1.00 0.00 N ATOM 0 H HIS A 78 3.576 -1.005 13.319 1.00 0.00 H new ATOM 0 HA HIS A 78 6.320 -0.873 14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.906 -1.035 11.619 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.504 -0.314 11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.843 -3.814 12.115 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.045 -4.333 12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.801 -5.526 12.232 1.00 0.00 H new ATOM 1294 N GLY A 79 4.767 1.805 14.027 1.00 0.00 N ATOM 1295 CA GLY A 79 4.881 3.254 14.100 1.00 0.00 C ATOM 1296 C GLY A 79 4.253 3.970 12.920 1.00 0.00 C ATOM 1297 O GLY A 79 4.229 5.200 12.879 1.00 0.00 O ATOM 0 H GLY A 79 3.867 1.428 14.326 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.409 3.602 15.019 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.935 3.525 14.160 1.00 0.00 H new ATOM 1301 N TYR A 80 3.739 3.206 11.962 1.00 0.00 N ATOM 1302 CA TYR A 80 3.105 3.780 10.777 1.00 0.00 C ATOM 1303 C TYR A 80 1.590 3.850 10.974 1.00 0.00 C ATOM 1304 O TYR A 80 0.809 3.482 10.098 1.00 0.00 O ATOM 1305 CB TYR A 80 3.465 2.953 9.538 1.00 0.00 C ATOM 1306 CG TYR A 80 4.940 2.997 9.195 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.848 2.166 9.841 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.423 3.870 8.229 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.193 2.206 9.533 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.769 3.912 7.916 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.647 3.079 8.572 1.00 0.00 C ATOM 1312 OH TYR A 80 8.985 3.118 8.268 1.00 0.00 O ATOM 0 H TYR A 80 3.748 2.186 11.982 1.00 0.00 H new ATOM 0 HA TYR A 80 3.473 4.795 10.627 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.168 1.917 9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.890 3.318 8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.496 1.478 10.596 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.737 4.526 7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.886 1.554 10.045 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.130 4.595 7.161 1.00 0.00 H new ATOM 0 HH TYR A 80 9.164 3.880 7.678 1.00 0.00 H new ATOM 1322 N GLN A 81 1.205 4.337 12.152 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.197 4.474 12.547 1.00 0.00 C ATOM 1324 C GLN A 81 -0.945 5.492 11.688 1.00 0.00 C ATOM 1325 O GLN A 81 -2.095 5.265 11.317 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.282 4.889 14.017 1.00 0.00 C ATOM 1327 CG GLN A 81 0.099 3.784 14.985 1.00 0.00 C ATOM 1328 CD GLN A 81 -0.002 4.219 16.432 1.00 0.00 C ATOM 1329 OE1 GLN A 81 0.963 4.720 17.009 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -1.172 4.029 17.028 1.00 0.00 N ATOM 0 H GLN A 81 1.863 4.651 12.866 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.672 3.504 12.399 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.371 5.746 14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.299 5.217 14.235 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.549 2.923 14.822 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.118 3.459 14.777 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.945 3.610 16.511 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.298 4.302 18.003 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.291 6.617 11.390 1.00 0.00 N ATOM 1340 CA ALA A 82 -0.894 7.669 10.569 1.00 0.00 C ATOM 1341 C ALA A 82 -1.263 7.134 9.190 1.00 0.00 C ATOM 1342 O ALA A 82 -2.261 7.542 8.595 1.00 0.00 O ATOM 1343 CB ALA A 82 0.058 8.850 10.447 1.00 0.00 C ATOM 0 H ALA A 82 0.657 6.823 11.705 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.809 8.006 11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.401 9.626 9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.271 9.249 11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.987 8.522 9.981 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.437 6.218 8.695 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.649 5.589 7.400 1.00 0.00 C ATOM 1351 C LEU A 83 -1.794 4.581 7.468 1.00 0.00 C ATOM 1352 O LEU A 83 -2.617 4.494 6.557 1.00 0.00 O ATOM 1353 CB LEU A 83 0.637 4.886 6.956 1.00 0.00 C ATOM 1354 CG LEU A 83 1.700 5.794 6.331 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.525 6.479 7.410 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.601 4.995 5.407 1.00 0.00 C ATOM 0 H LEU A 83 0.398 5.892 9.182 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.913 6.360 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.074 4.385 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.377 4.110 6.236 1.00 0.00 H new ATOM 0 HG LEU A 83 1.193 6.562 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.274 7.119 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.871 7.084 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.021 5.726 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.351 5.654 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.096 4.207 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.003 4.549 4.612 1.00 0.00 H new ATOM 1368 N ALA A 84 -1.840 3.834 8.574 1.00 0.00 N ATOM 1369 CA ALA A 84 -2.858 2.805 8.787 1.00 0.00 C ATOM 1370 C ALA A 84 -4.253 3.397 8.963 1.00 0.00 C ATOM 1371 O ALA A 84 -5.243 2.784 8.569 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.490 1.955 9.996 1.00 0.00 C ATOM 0 H ALA A 84 -1.176 3.925 9.343 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.885 2.181 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.252 1.191 10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.526 1.477 9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.429 2.588 10.881 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.327 4.591 9.546 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.608 5.255 9.780 1.00 0.00 C ATOM 1380 C ASP A 85 -6.203 5.795 8.481 1.00 0.00 C ATOM 1381 O ASP A 85 -7.421 5.916 8.347 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.433 6.396 10.783 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.687 6.649 11.598 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -6.911 5.914 12.584 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.444 7.578 11.249 1.00 0.00 O ATOM 0 H ASP A 85 -3.515 5.119 9.865 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.297 4.515 10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.608 6.161 11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.160 7.306 10.249 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.334 6.106 7.523 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.767 6.645 6.240 1.00 0.00 C ATOM 1392 C LYS A 86 -6.365 5.566 5.337 1.00 0.00 C ATOM 1393 O LYS A 86 -7.456 5.744 4.797 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.597 7.334 5.536 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.260 8.697 6.119 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.095 9.344 5.389 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.752 10.702 5.982 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.047 10.577 7.287 1.00 0.00 N ATOM 0 H LYS A 86 -4.324 5.993 7.613 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.551 7.376 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.717 6.693 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.835 7.448 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.134 9.346 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.015 8.591 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.223 8.692 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.344 9.459 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.125 11.255 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.666 11.280 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.456 11.248 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.155 9.608 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.037 10.787 7.157 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.663 4.443 5.188 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.136 3.358 4.330 1.00 0.00 C ATOM 1414 C LEU A 87 -7.326 2.613 4.940 1.00 0.00 C ATOM 1415 O LEU A 87 -8.125 2.030 4.214 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.001 2.369 4.016 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.220 1.839 5.223 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.751 0.481 5.657 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.739 1.739 4.890 1.00 0.00 C ATOM 0 H LEU A 87 -4.770 4.262 5.647 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.474 3.819 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.424 1.519 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.299 2.855 3.339 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.351 2.539 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.181 0.125 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.802 0.572 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.651 -0.228 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.196 1.361 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.600 1.059 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.358 2.725 4.625 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.439 2.635 6.267 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.529 1.946 6.958 1.00 0.00 C ATOM 1433 C ASN A 88 -9.876 2.626 6.723 1.00 0.00 C ATOM 1434 O ASN A 88 -10.904 1.957 6.603 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.247 1.883 8.460 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.851 0.657 9.114 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.242 -0.411 9.142 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.058 0.807 9.650 1.00 0.00 N ATOM 0 H ASN A 88 -6.790 3.122 6.885 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.584 0.938 6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.169 1.884 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.644 2.778 8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.515 0.018 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.528 1.711 9.604 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.866 3.954 6.648 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.095 4.713 6.452 1.00 0.00 C ATOM 1447 C LYS A 89 -11.602 4.626 5.015 1.00 0.00 C ATOM 1448 O LYS A 89 -12.798 4.444 4.792 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.890 6.175 6.849 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.175 6.856 7.285 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.981 8.344 7.510 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.296 9.016 7.862 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.183 9.155 6.676 1.00 0.00 N ATOM 0 H LYS A 89 -9.023 4.524 6.720 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.854 4.268 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.164 6.227 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.465 6.719 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.943 6.701 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.536 6.394 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.261 8.503 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.564 8.800 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.806 8.435 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.099 10.001 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.025 9.708 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.670 9.643 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.475 8.212 6.348 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.697 4.761 4.048 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.068 4.695 2.634 1.00 0.00 C ATOM 1469 C TYR A 90 -11.513 3.287 2.251 1.00 0.00 C ATOM 1470 O TYR A 90 -12.301 3.102 1.323 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.888 5.117 1.757 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.698 6.612 1.675 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.460 7.382 0.806 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -8.761 7.256 2.471 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.288 8.751 0.729 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -8.582 8.621 2.401 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.349 9.366 1.531 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.173 10.729 1.461 1.00 0.00 O ATOM 0 H TYR A 90 -9.703 4.917 4.216 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.901 5.379 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.976 4.665 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.034 4.722 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.199 6.903 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.161 6.677 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.885 9.336 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.845 9.104 3.025 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.474 11.001 2.092 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.002 2.305 2.980 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.319 0.906 2.740 1.00 0.00 C ATOM 1490 C LEU A 91 -12.773 0.584 3.098 1.00 0.00 C ATOM 1491 O LEU A 91 -13.457 -0.122 2.359 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.369 0.031 3.554 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.715 -1.452 3.602 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.849 -2.229 2.623 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.539 -1.977 5.018 1.00 0.00 C ATOM 0 H LEU A 91 -10.356 2.457 3.755 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.195 0.702 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.365 0.138 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.339 0.412 4.575 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.757 -1.586 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.108 -3.287 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.019 -1.857 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.799 -2.101 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.788 -3.038 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.504 -1.838 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.199 -1.432 5.693 1.00 0.00 H new ATOM 1507 N THR A 92 -13.237 1.107 4.230 1.00 0.00 N ATOM 1508 CA THR A 92 -14.604 0.861 4.684 1.00 0.00 C ATOM 1509 C THR A 92 -15.525 2.053 4.412 1.00 0.00 C ATOM 1510 O THR A 92 -16.624 2.131 4.963 1.00 0.00 O ATOM 1511 CB THR A 92 -14.650 0.515 6.186 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.442 -0.151 6.577 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.849 -0.375 6.494 1.00 0.00 C ATOM 0 H THR A 92 -12.688 1.703 4.849 1.00 0.00 H new ATOM 0 HA THR A 92 -14.963 0.007 4.110 1.00 0.00 H new ATOM 0 HB THR A 92 -14.747 1.443 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 92 -13.481 -0.365 7.533 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.865 -0.609 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.768 0.145 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.773 -1.299 5.921 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.068 2.986 3.573 1.00 0.00 N ATOM 1522 CA LEU A 93 -15.863 4.168 3.232 1.00 0.00 C ATOM 1523 C LEU A 93 -17.233 3.770 2.688 1.00 0.00 C ATOM 1524 O LEU A 93 -18.244 4.396 3.010 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.131 5.036 2.204 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.481 6.526 2.252 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.240 7.376 2.033 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -16.547 6.863 1.218 1.00 0.00 C ATOM 0 H LEU A 93 -14.155 2.946 3.119 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.005 4.744 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.057 4.925 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.353 4.657 1.206 1.00 0.00 H new ATOM 0 HG LEU A 93 -15.880 6.749 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.510 8.431 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.509 7.161 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.809 7.147 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.781 7.926 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -16.177 6.621 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -17.447 6.284 1.422 1.00 0.00 H new