USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 35 HIS : no HD1:sc= 0.829 K(o=1.9,f=-2.7) USER MOD Set 1.2: A 37 SER OG : rot -96:sc= 1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 80:sc= -0.68 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -5.74! C(o=-5.7!,f=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -1.66! (180deg=-4.34!) USER MOD Single : A 27 TYR OH : rot -165:sc= 0.125 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.0148 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.13 X(o=-1.1,f=-1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.12 K(o=-0.12,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.194 16.029 -1.165 1.00 0.00 N ATOM 89 CA VAL A 9 -4.744 16.319 -2.484 1.00 0.00 C ATOM 90 C VAL A 9 -5.241 15.048 -3.163 1.00 0.00 C ATOM 91 O VAL A 9 -4.635 13.984 -3.032 1.00 0.00 O ATOM 92 CB VAL A 9 -3.701 16.998 -3.391 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.454 16.135 -3.511 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.294 17.286 -4.761 1.00 0.00 C ATOM 0 HA VAL A 9 -5.582 17.000 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.414 17.947 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.729 16.631 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.019 15.985 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.720 15.169 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.543 17.766 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.611 16.352 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.154 17.947 -4.654 1.00 0.00 H new ATOM 104 N TRP A 10 -6.347 15.166 -3.889 1.00 0.00 N ATOM 105 CA TRP A 10 -6.926 14.025 -4.590 1.00 0.00 C ATOM 106 C TRP A 10 -6.411 13.948 -6.023 1.00 0.00 C ATOM 107 O TRP A 10 -5.800 14.892 -6.526 1.00 0.00 O ATOM 108 CB TRP A 10 -8.452 14.120 -4.588 1.00 0.00 C ATOM 109 CG TRP A 10 -9.055 13.972 -3.224 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.662 14.947 -2.485 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.106 12.778 -2.435 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.087 14.431 -1.285 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.760 13.103 -1.230 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.666 11.466 -2.630 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.980 12.163 -0.227 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.886 10.535 -1.633 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.539 10.886 -0.444 1.00 0.00 C ATOM 0 H TRP A 10 -6.861 16.039 -4.008 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.625 13.118 -4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.749 15.082 -5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.858 13.348 -5.242 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.789 15.973 -2.798 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.569 14.953 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.163 11.185 -3.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.481 12.432 0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.549 9.519 -1.773 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.697 10.135 0.315 1.00 0.00 H new ATOM 128 N LYS A 11 -6.661 12.820 -6.678 1.00 0.00 N ATOM 129 CA LYS A 11 -6.224 12.620 -8.054 1.00 0.00 C ATOM 130 C LYS A 11 -7.088 11.574 -8.753 1.00 0.00 C ATOM 131 O LYS A 11 -7.634 10.667 -8.126 1.00 0.00 O ATOM 132 CB LYS A 11 -4.756 12.189 -8.088 1.00 0.00 C ATOM 133 CG LYS A 11 -4.451 10.998 -7.195 1.00 0.00 C ATOM 134 CD LYS A 11 -3.070 10.430 -7.476 1.00 0.00 C ATOM 135 CE LYS A 11 -1.979 11.274 -6.834 1.00 0.00 C ATOM 136 NZ LYS A 11 -0.642 10.628 -6.945 1.00 0.00 N ATOM 0 H LYS A 11 -7.165 12.029 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.330 13.567 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.482 11.943 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.132 13.030 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.516 11.300 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.202 10.224 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.011 9.409 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.908 10.381 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.950 12.254 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.217 11.438 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.074 11.234 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.662 9.704 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.403 10.495 -7.948 1.00 0.00 H new ATOM 150 N PRO A 12 -7.213 11.702 -10.082 1.00 0.00 N ATOM 151 CA PRO A 12 -8.008 10.776 -10.895 1.00 0.00 C ATOM 152 C PRO A 12 -7.370 9.394 -10.989 1.00 0.00 C ATOM 153 O PRO A 12 -6.403 9.195 -11.724 1.00 0.00 O ATOM 154 CB PRO A 12 -8.037 11.446 -12.270 1.00 0.00 C ATOM 155 CG PRO A 12 -6.811 12.292 -12.306 1.00 0.00 C ATOM 156 CD PRO A 12 -6.590 12.760 -10.894 1.00 0.00 C ATOM 0 HA PRO A 12 -8.996 10.605 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.031 10.707 -13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.937 12.048 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.954 11.723 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.940 13.137 -12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.529 12.868 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.054 13.730 -10.715 1.00 0.00 H new ATOM 164 N GLY A 13 -7.917 8.442 -10.240 1.00 0.00 N ATOM 165 CA GLY A 13 -7.388 7.090 -10.255 1.00 0.00 C ATOM 166 C GLY A 13 -7.090 6.569 -8.863 1.00 0.00 C ATOM 167 O GLY A 13 -6.177 5.765 -8.676 1.00 0.00 O ATOM 0 H GLY A 13 -8.717 8.582 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.104 6.428 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.476 7.066 -10.851 1.00 0.00 H new ATOM 171 N ASP A 14 -7.861 7.029 -7.883 1.00 0.00 N ATOM 172 CA ASP A 14 -7.674 6.605 -6.501 1.00 0.00 C ATOM 173 C ASP A 14 -9.019 6.395 -5.811 1.00 0.00 C ATOM 174 O ASP A 14 -9.862 7.291 -5.788 1.00 0.00 O ATOM 175 CB ASP A 14 -6.850 7.640 -5.734 1.00 0.00 C ATOM 176 CG ASP A 14 -5.359 7.468 -5.949 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.918 7.529 -7.116 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.634 7.272 -4.951 1.00 0.00 O ATOM 0 H ASP A 14 -8.621 7.695 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.136 5.657 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.146 8.641 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.072 7.561 -4.670 1.00 0.00 H new ATOM 183 N GLU A 15 -9.211 5.204 -5.251 1.00 0.00 N ATOM 184 CA GLU A 15 -10.454 4.877 -4.563 1.00 0.00 C ATOM 185 C GLU A 15 -10.621 5.727 -3.306 1.00 0.00 C ATOM 186 O GLU A 15 -9.670 5.926 -2.549 1.00 0.00 O ATOM 187 CB GLU A 15 -10.483 3.392 -4.195 1.00 0.00 C ATOM 188 CG GLU A 15 -9.352 2.971 -3.272 1.00 0.00 C ATOM 189 CD GLU A 15 -8.119 2.518 -4.030 1.00 0.00 C ATOM 190 OE1 GLU A 15 -8.095 1.355 -4.484 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.178 3.327 -4.168 1.00 0.00 O ATOM 0 H GLU A 15 -8.523 4.451 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.281 5.093 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.435 3.164 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.435 2.799 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.088 3.806 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.696 2.162 -2.628 1.00 0.00 H new ATOM 198 N CYS A 16 -11.833 6.224 -3.092 1.00 0.00 N ATOM 199 CA CYS A 16 -12.125 7.054 -1.929 1.00 0.00 C ATOM 200 C CYS A 16 -13.586 6.914 -1.514 1.00 0.00 C ATOM 201 O CYS A 16 -14.370 6.237 -2.180 1.00 0.00 O ATOM 202 CB CYS A 16 -11.805 8.519 -2.228 1.00 0.00 C ATOM 203 SG CYS A 16 -12.790 9.231 -3.567 1.00 0.00 S ATOM 0 H CYS A 16 -12.630 6.067 -3.709 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.498 6.714 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.963 9.106 -1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.749 8.604 -2.483 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.964 9.560 -3.115 1.00 0.00 H new ATOM 209 N PHE A 17 -13.947 7.559 -0.409 1.00 0.00 N ATOM 210 CA PHE A 17 -15.313 7.505 0.096 1.00 0.00 C ATOM 211 C PHE A 17 -16.024 8.839 -0.112 1.00 0.00 C ATOM 212 O PHE A 17 -15.584 9.873 0.389 1.00 0.00 O ATOM 213 CB PHE A 17 -15.316 7.140 1.582 1.00 0.00 C ATOM 214 CG PHE A 17 -15.184 5.665 1.837 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.256 4.813 1.626 1.00 0.00 C ATOM 216 CD2 PHE A 17 -13.988 5.132 2.289 1.00 0.00 C ATOM 217 CE1 PHE A 17 -16.138 3.456 1.859 1.00 0.00 C ATOM 218 CE2 PHE A 17 -13.863 3.775 2.524 1.00 0.00 C ATOM 219 CZ PHE A 17 -14.940 2.937 2.310 1.00 0.00 C ATOM 0 H PHE A 17 -13.312 8.125 0.153 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.849 6.737 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.497 7.661 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.241 7.497 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.195 5.214 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.144 5.784 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.981 2.803 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.925 3.371 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.845 1.877 2.495 1.00 0.00 H new ATOM 229 N ALA A 18 -17.124 8.807 -0.857 1.00 0.00 N ATOM 230 CA ALA A 18 -17.896 10.012 -1.131 1.00 0.00 C ATOM 231 C ALA A 18 -19.261 9.956 -0.454 1.00 0.00 C ATOM 232 O ALA A 18 -19.884 8.896 -0.377 1.00 0.00 O ATOM 233 CB ALA A 18 -18.057 10.206 -2.632 1.00 0.00 C ATOM 0 H ALA A 18 -17.500 7.959 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.351 10.863 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.636 11.110 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.074 10.300 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.576 9.347 -3.056 1.00 0.00 H new ATOM 239 N LEU A 19 -19.721 11.101 0.036 1.00 0.00 N ATOM 240 CA LEU A 19 -21.014 11.182 0.708 1.00 0.00 C ATOM 241 C LEU A 19 -22.142 11.366 -0.302 1.00 0.00 C ATOM 242 O LEU A 19 -22.266 12.421 -0.925 1.00 0.00 O ATOM 243 CB LEU A 19 -21.018 12.338 1.710 1.00 0.00 C ATOM 244 CG LEU A 19 -21.914 12.159 2.937 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.321 11.129 3.886 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.116 13.489 3.648 1.00 0.00 C ATOM 0 H LEU A 19 -19.218 11.987 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.178 10.246 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.996 12.500 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.327 13.244 1.188 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.886 11.797 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.972 11.015 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.229 10.172 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.336 11.461 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.756 13.343 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.151 13.880 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.587 14.198 2.967 1.00 0.00 H new ATOM 258 N TYR A 20 -22.963 10.333 -0.458 1.00 0.00 N ATOM 259 CA TYR A 20 -24.082 10.381 -1.392 1.00 0.00 C ATOM 260 C TYR A 20 -24.875 11.673 -1.227 1.00 0.00 C ATOM 261 O TYR A 20 -24.888 12.273 -0.152 1.00 0.00 O ATOM 262 CB TYR A 20 -24.999 9.175 -1.183 1.00 0.00 C ATOM 263 CG TYR A 20 -25.720 8.738 -2.438 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.043 8.612 -3.644 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.079 8.449 -2.416 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.698 8.214 -4.793 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.742 8.048 -3.560 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.047 7.933 -4.746 1.00 0.00 C ATOM 269 OH TYR A 20 -27.703 7.534 -5.889 1.00 0.00 O ATOM 0 H TYR A 20 -22.875 9.453 0.050 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.679 10.351 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.408 8.341 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.735 9.417 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.986 8.829 -3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.626 8.539 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.157 8.123 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.798 7.826 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.648 7.374 -5.685 1.00 0.00 H new ATOM 279 N TRP A 21 -25.536 12.094 -2.299 1.00 0.00 N ATOM 280 CA TRP A 21 -26.334 13.315 -2.274 1.00 0.00 C ATOM 281 C TRP A 21 -27.781 13.012 -1.903 1.00 0.00 C ATOM 282 O TRP A 21 -28.593 13.923 -1.742 1.00 0.00 O ATOM 283 CB TRP A 21 -26.278 14.013 -3.634 1.00 0.00 C ATOM 284 CG TRP A 21 -26.915 13.220 -4.735 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.299 12.328 -5.565 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.292 13.250 -5.126 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.209 11.802 -6.449 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.440 12.350 -6.200 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.415 13.947 -4.673 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.664 12.133 -6.825 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.630 13.731 -5.295 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.747 12.829 -6.361 1.00 0.00 C ATOM 0 H TRP A 21 -25.535 11.609 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 21 -25.916 13.978 -1.516 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.774 14.980 -3.559 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.237 14.208 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.250 12.073 -5.531 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.002 11.115 -7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.335 14.643 -3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.756 11.439 -7.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.504 14.266 -4.954 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.711 12.680 -6.825 1.00 0.00 H new ATOM 303 N GLU A 22 -28.097 11.728 -1.768 1.00 0.00 N ATOM 304 CA GLU A 22 -29.448 11.307 -1.416 1.00 0.00 C ATOM 305 C GLU A 22 -29.443 10.476 -0.137 1.00 0.00 C ATOM 306 O GLU A 22 -30.493 10.217 0.452 1.00 0.00 O ATOM 307 CB GLU A 22 -30.069 10.501 -2.559 1.00 0.00 C ATOM 308 CG GLU A 22 -30.775 11.358 -3.595 1.00 0.00 C ATOM 309 CD GLU A 22 -31.930 10.636 -4.262 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.555 9.781 -3.600 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.209 10.924 -5.444 1.00 0.00 O ATOM 0 H GLU A 22 -27.436 10.962 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.047 12.202 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.287 9.922 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.781 9.787 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.146 12.266 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.057 11.667 -4.355 1.00 0.00 H new ATOM 318 N ASP A 23 -28.255 10.060 0.287 1.00 0.00 N ATOM 319 CA ASP A 23 -28.112 9.258 1.497 1.00 0.00 C ATOM 320 C ASP A 23 -27.208 9.956 2.508 1.00 0.00 C ATOM 321 O ASP A 23 -27.246 9.657 3.700 1.00 0.00 O ATOM 322 CB ASP A 23 -27.547 7.878 1.156 1.00 0.00 C ATOM 323 CG ASP A 23 -28.634 6.868 0.846 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.377 7.079 -0.135 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.742 5.867 1.585 1.00 0.00 O ATOM 0 H ASP A 23 -27.377 10.265 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.100 9.138 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.879 7.964 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -26.948 7.517 1.992 1.00 0.00 H new ATOM 330 N ASN A 24 -26.393 10.887 2.021 1.00 0.00 N ATOM 331 CA ASN A 24 -25.478 11.627 2.882 1.00 0.00 C ATOM 332 C ASN A 24 -24.628 10.675 3.718 1.00 0.00 C ATOM 333 O ASN A 24 -24.151 11.033 4.795 1.00 0.00 O ATOM 334 CB ASN A 24 -26.258 12.571 3.800 1.00 0.00 C ATOM 335 CG ASN A 24 -26.903 11.844 4.964 1.00 0.00 C ATOM 336 OD1 ASN A 24 -26.234 11.484 5.933 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.209 11.624 4.873 1.00 0.00 N ATOM 0 H ASN A 24 -26.348 11.146 1.036 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.816 12.214 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -25.586 13.339 4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -27.029 13.081 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.698 11.139 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.723 11.940 4.051 1.00 0.00 H new ATOM 344 N LYS A 25 -24.442 9.459 3.214 1.00 0.00 N ATOM 345 CA LYS A 25 -23.649 8.455 3.912 1.00 0.00 C ATOM 346 C LYS A 25 -22.373 8.136 3.139 1.00 0.00 C ATOM 347 O LYS A 25 -22.349 8.195 1.909 1.00 0.00 O ATOM 348 CB LYS A 25 -24.468 7.178 4.113 1.00 0.00 C ATOM 349 CG LYS A 25 -25.553 7.311 5.167 1.00 0.00 C ATOM 350 CD LYS A 25 -25.051 6.896 6.540 1.00 0.00 C ATOM 351 CE LYS A 25 -24.329 8.038 7.238 1.00 0.00 C ATOM 352 NZ LYS A 25 -22.867 8.026 6.953 1.00 0.00 N ATOM 0 H LYS A 25 -24.830 9.146 2.324 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.372 8.859 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.927 6.898 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.797 6.367 4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.902 8.343 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.408 6.695 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -25.891 6.567 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.377 6.045 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.754 8.988 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.490 7.966 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.350 7.725 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.670 7.363 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.559 8.981 6.680 1.00 0.00 H new ATOM 366 N PHE A 26 -21.314 7.798 3.867 1.00 0.00 N ATOM 367 CA PHE A 26 -20.034 7.470 3.250 1.00 0.00 C ATOM 368 C PHE A 26 -20.114 6.139 2.508 1.00 0.00 C ATOM 369 O PHE A 26 -20.390 5.098 3.105 1.00 0.00 O ATOM 370 CB PHE A 26 -18.932 7.410 4.310 1.00 0.00 C ATOM 371 CG PHE A 26 -18.503 8.762 4.804 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.985 9.702 3.928 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.618 9.092 6.145 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.589 10.946 4.381 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.223 10.335 6.604 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.709 11.264 5.720 1.00 0.00 C ATOM 0 H PHE A 26 -21.317 7.744 4.886 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.794 8.254 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.283 6.818 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.067 6.892 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.890 9.460 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.021 8.370 6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.186 11.670 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.316 10.579 7.652 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.402 12.237 6.075 1.00 0.00 H new ATOM 386 N TYR A 27 -19.871 6.181 1.203 1.00 0.00 N ATOM 387 CA TYR A 27 -19.918 4.979 0.377 1.00 0.00 C ATOM 388 C TYR A 27 -18.683 4.881 -0.512 1.00 0.00 C ATOM 389 O TYR A 27 -18.142 5.894 -0.958 1.00 0.00 O ATOM 390 CB TYR A 27 -21.182 4.976 -0.484 1.00 0.00 C ATOM 391 CG TYR A 27 -22.461 4.906 0.319 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.574 4.054 1.411 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.558 5.692 -0.014 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.741 3.986 2.147 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.729 5.631 0.717 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.815 4.777 1.796 1.00 0.00 C ATOM 397 OH TYR A 27 -25.979 4.713 2.527 1.00 0.00 O ATOM 0 H TYR A 27 -19.639 7.034 0.694 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.936 4.114 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.196 5.877 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.145 4.127 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.735 3.434 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.494 6.362 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.812 3.317 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.572 6.249 0.445 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.705 5.139 2.024 1.00 0.00 H new ATOM 407 N ARG A 28 -18.242 3.653 -0.768 1.00 0.00 N ATOM 408 CA ARG A 28 -17.070 3.421 -1.604 1.00 0.00 C ATOM 409 C ARG A 28 -17.197 4.156 -2.935 1.00 0.00 C ATOM 410 O ARG A 28 -18.296 4.316 -3.464 1.00 0.00 O ATOM 411 CB ARG A 28 -16.883 1.923 -1.852 1.00 0.00 C ATOM 412 CG ARG A 28 -15.432 1.514 -2.045 1.00 0.00 C ATOM 413 CD ARG A 28 -14.777 1.148 -0.723 1.00 0.00 C ATOM 414 NE ARG A 28 -13.385 0.741 -0.896 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.715 0.016 -0.007 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.306 -0.381 1.111 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.450 -0.314 -0.237 1.00 0.00 N ATOM 0 H ARG A 28 -18.679 2.804 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.197 3.807 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.299 1.369 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.453 1.636 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.380 0.664 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.881 2.331 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.824 2.002 -0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.336 0.338 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.901 1.029 -1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.278 -0.130 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.789 -0.938 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.992 -0.011 -1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.936 -0.871 0.446 1.00 0.00 H new ATOM 431 N ALA A 29 -16.065 4.602 -3.469 1.00 0.00 N ATOM 432 CA ALA A 29 -16.050 5.319 -4.738 1.00 0.00 C ATOM 433 C ALA A 29 -14.628 5.465 -5.269 1.00 0.00 C ATOM 434 O ALA A 29 -13.680 4.945 -4.681 1.00 0.00 O ATOM 435 CB ALA A 29 -16.699 6.686 -4.580 1.00 0.00 C ATOM 0 H ALA A 29 -15.147 4.479 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.623 4.739 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.681 7.210 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.732 6.563 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.150 7.266 -3.838 1.00 0.00 H new ATOM 441 N GLU A 30 -14.487 6.177 -6.383 1.00 0.00 N ATOM 442 CA GLU A 30 -13.179 6.389 -6.993 1.00 0.00 C ATOM 443 C GLU A 30 -13.128 7.732 -7.715 1.00 0.00 C ATOM 444 O GLU A 30 -13.962 8.021 -8.572 1.00 0.00 O ATOM 445 CB GLU A 30 -12.859 5.258 -7.973 1.00 0.00 C ATOM 446 CG GLU A 30 -11.414 5.251 -8.443 1.00 0.00 C ATOM 447 CD GLU A 30 -11.209 4.404 -9.684 1.00 0.00 C ATOM 448 OE1 GLU A 30 -10.978 3.185 -9.537 1.00 0.00 O ATOM 449 OE2 GLU A 30 -11.278 4.959 -10.800 1.00 0.00 O ATOM 0 H GLU A 30 -15.261 6.616 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.432 6.394 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.082 4.303 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.514 5.344 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.098 6.274 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.777 4.876 -7.642 1.00 0.00 H new ATOM 456 N VAL A 31 -12.141 8.550 -7.361 1.00 0.00 N ATOM 457 CA VAL A 31 -11.979 9.863 -7.974 1.00 0.00 C ATOM 458 C VAL A 31 -11.964 9.760 -9.495 1.00 0.00 C ATOM 459 O VAL A 31 -11.145 9.045 -10.070 1.00 0.00 O ATOM 460 CB VAL A 31 -10.681 10.546 -7.504 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.544 11.923 -8.134 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.649 10.639 -5.986 1.00 0.00 C ATOM 0 H VAL A 31 -11.442 8.326 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.831 10.466 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.834 9.940 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.621 12.390 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.519 11.826 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.393 12.542 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.725 11.124 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.502 11.222 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.697 9.637 -5.559 1.00 0.00 H new ATOM 472 N GLU A 32 -12.876 10.481 -10.141 1.00 0.00 N ATOM 473 CA GLU A 32 -12.967 10.471 -11.596 1.00 0.00 C ATOM 474 C GLU A 32 -12.259 11.683 -12.194 1.00 0.00 C ATOM 475 O GLU A 32 -11.303 11.543 -12.956 1.00 0.00 O ATOM 476 CB GLU A 32 -14.432 10.453 -12.037 1.00 0.00 C ATOM 477 CG GLU A 32 -14.654 9.783 -13.383 1.00 0.00 C ATOM 478 CD GLU A 32 -14.383 10.714 -14.549 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.559 11.939 -14.385 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.996 10.216 -15.627 1.00 0.00 O ATOM 0 H GLU A 32 -13.562 11.079 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.475 9.569 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.024 9.936 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.801 11.478 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.006 8.910 -13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.681 9.424 -13.441 1.00 0.00 H new ATOM 487 N ALA A 33 -12.736 12.872 -11.843 1.00 0.00 N ATOM 488 CA ALA A 33 -12.149 14.109 -12.344 1.00 0.00 C ATOM 489 C ALA A 33 -12.373 15.258 -11.366 1.00 0.00 C ATOM 490 O ALA A 33 -13.491 15.481 -10.900 1.00 0.00 O ATOM 491 CB ALA A 33 -12.727 14.454 -13.708 1.00 0.00 C ATOM 0 H ALA A 33 -13.527 13.005 -11.214 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.074 13.957 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.279 15.380 -14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.510 13.648 -14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.806 14.581 -13.624 1.00 0.00 H new ATOM 497 N LEU A 34 -11.304 15.984 -11.060 1.00 0.00 N ATOM 498 CA LEU A 34 -11.383 17.111 -10.136 1.00 0.00 C ATOM 499 C LEU A 34 -11.760 18.393 -10.872 1.00 0.00 C ATOM 500 O LEU A 34 -11.629 18.481 -12.094 1.00 0.00 O ATOM 501 CB LEU A 34 -10.049 17.298 -9.413 1.00 0.00 C ATOM 502 CG LEU A 34 -9.433 16.038 -8.804 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.916 16.144 -8.780 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.975 15.804 -7.401 1.00 0.00 C ATOM 0 H LEU A 34 -10.372 15.813 -11.438 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.159 16.893 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.334 17.724 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.189 18.030 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.708 15.186 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.495 15.238 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.543 16.263 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.621 17.006 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.526 14.903 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.731 16.658 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.057 15.683 -7.445 1.00 0.00 H new ATOM 516 N HIS A 35 -12.226 19.385 -10.121 1.00 0.00 N ATOM 517 CA HIS A 35 -12.619 20.664 -10.702 1.00 0.00 C ATOM 518 C HIS A 35 -11.516 21.703 -10.527 1.00 0.00 C ATOM 519 O HIS A 35 -10.804 21.702 -9.523 1.00 0.00 O ATOM 520 CB HIS A 35 -13.914 21.164 -10.060 1.00 0.00 C ATOM 521 CG HIS A 35 -14.637 22.184 -10.884 1.00 0.00 C ATOM 522 ND1 HIS A 35 -15.083 23.385 -10.375 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.989 22.178 -12.192 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.681 24.072 -11.332 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.636 23.362 -12.445 1.00 0.00 N ATOM 0 H HIS A 35 -12.341 19.328 -9.109 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.786 20.514 -11.769 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.575 20.315 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.684 21.594 -9.085 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.796 21.389 -12.903 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.130 25.048 -11.223 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.020 23.647 -13.346 1.00 0.00 H new ATOM 534 N SER A 36 -11.379 22.587 -11.510 1.00 0.00 N ATOM 535 CA SER A 36 -10.359 23.628 -11.466 1.00 0.00 C ATOM 536 C SER A 36 -10.502 24.475 -10.205 1.00 0.00 C ATOM 537 O SER A 36 -9.539 24.671 -9.464 1.00 0.00 O ATOM 538 CB SER A 36 -10.456 24.519 -12.706 1.00 0.00 C ATOM 539 OG SER A 36 -11.773 25.013 -12.877 1.00 0.00 O ATOM 0 H SER A 36 -11.962 22.603 -12.347 1.00 0.00 H new ATOM 0 HA SER A 36 -9.382 23.145 -11.450 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.760 25.353 -12.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.159 23.953 -13.589 1.00 0.00 H new ATOM 0 HG SER A 36 -11.808 25.581 -13.675 1.00 0.00 H new ATOM 545 N SER A 37 -11.711 24.974 -9.968 1.00 0.00 N ATOM 546 CA SER A 37 -11.980 25.803 -8.799 1.00 0.00 C ATOM 547 C SER A 37 -11.413 25.161 -7.536 1.00 0.00 C ATOM 548 O SER A 37 -11.102 25.847 -6.563 1.00 0.00 O ATOM 549 CB SER A 37 -13.485 26.025 -8.641 1.00 0.00 C ATOM 550 OG SER A 37 -14.103 24.910 -8.022 1.00 0.00 O ATOM 0 H SER A 37 -12.520 24.819 -10.570 1.00 0.00 H new ATOM 0 HA SER A 37 -11.492 26.766 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.663 26.920 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.935 26.198 -9.619 1.00 0.00 H new ATOM 0 HG SER A 37 -14.475 24.319 -8.709 1.00 0.00 H new ATOM 556 N GLY A 38 -11.283 23.838 -7.559 1.00 0.00 N ATOM 557 CA GLY A 38 -10.754 23.125 -6.411 1.00 0.00 C ATOM 558 C GLY A 38 -11.755 23.028 -5.277 1.00 0.00 C ATOM 559 O GLY A 38 -11.401 23.198 -4.111 1.00 0.00 O ATOM 0 H GLY A 38 -11.534 23.248 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.457 22.122 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.855 23.630 -6.056 1.00 0.00 H new ATOM 563 N MET A 39 -13.011 22.757 -5.619 1.00 0.00 N ATOM 564 CA MET A 39 -14.066 22.640 -4.620 1.00 0.00 C ATOM 565 C MET A 39 -14.756 21.282 -4.716 1.00 0.00 C ATOM 566 O MET A 39 -14.855 20.553 -3.728 1.00 0.00 O ATOM 567 CB MET A 39 -15.093 23.760 -4.798 1.00 0.00 C ATOM 568 CG MET A 39 -14.636 25.097 -4.237 1.00 0.00 C ATOM 569 SD MET A 39 -15.938 26.344 -4.268 1.00 0.00 S ATOM 570 CE MET A 39 -15.146 27.682 -3.379 1.00 0.00 C ATOM 0 H MET A 39 -13.322 22.615 -6.580 1.00 0.00 H new ATOM 0 HA MET A 39 -13.610 22.728 -3.634 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.312 23.876 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.024 23.470 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.295 24.959 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.782 25.455 -4.811 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.828 28.530 -3.314 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.886 27.348 -2.374 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.241 27.984 -3.906 1.00 0.00 H new ATOM 580 N THR A 40 -15.233 20.948 -5.911 1.00 0.00 N ATOM 581 CA THR A 40 -15.915 19.680 -6.135 1.00 0.00 C ATOM 582 C THR A 40 -15.145 18.808 -7.120 1.00 0.00 C ATOM 583 O THR A 40 -14.223 19.276 -7.788 1.00 0.00 O ATOM 584 CB THR A 40 -17.344 19.896 -6.666 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.305 20.647 -7.884 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.198 20.627 -5.641 1.00 0.00 C ATOM 0 H THR A 40 -15.159 21.539 -6.739 1.00 0.00 H new ATOM 0 HA THR A 40 -15.967 19.175 -5.170 1.00 0.00 H new ATOM 0 HB THR A 40 -17.789 18.919 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.217 20.779 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.203 20.768 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.250 20.039 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.754 21.599 -5.424 1.00 0.00 H new ATOM 594 N ALA A 41 -15.530 17.539 -7.207 1.00 0.00 N ATOM 595 CA ALA A 41 -14.877 16.603 -8.113 1.00 0.00 C ATOM 596 C ALA A 41 -15.790 15.425 -8.437 1.00 0.00 C ATOM 597 O ALA A 41 -16.473 14.896 -7.560 1.00 0.00 O ATOM 598 CB ALA A 41 -13.570 16.110 -7.511 1.00 0.00 C ATOM 0 H ALA A 41 -16.291 17.136 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.660 17.128 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.093 15.412 -8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.907 16.958 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.772 15.607 -6.565 1.00 0.00 H new ATOM 604 N VAL A 42 -15.798 15.019 -9.703 1.00 0.00 N ATOM 605 CA VAL A 42 -16.627 13.903 -10.143 1.00 0.00 C ATOM 606 C VAL A 42 -16.089 12.578 -9.616 1.00 0.00 C ATOM 607 O VAL A 42 -15.014 12.129 -10.014 1.00 0.00 O ATOM 608 CB VAL A 42 -16.710 13.837 -11.679 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.533 12.635 -12.119 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.294 15.126 -12.237 1.00 0.00 C ATOM 0 H VAL A 42 -15.240 15.446 -10.442 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.626 14.072 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.701 13.721 -12.075 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.580 12.605 -13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.067 11.721 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.542 12.717 -11.714 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.345 15.062 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.296 15.276 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.660 15.966 -11.953 1.00 0.00 H new ATOM 620 N VAL A 43 -16.844 11.954 -8.718 1.00 0.00 N ATOM 621 CA VAL A 43 -16.445 10.678 -8.137 1.00 0.00 C ATOM 622 C VAL A 43 -17.422 9.571 -8.516 1.00 0.00 C ATOM 623 O VAL A 43 -18.638 9.752 -8.450 1.00 0.00 O ATOM 624 CB VAL A 43 -16.354 10.764 -6.602 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.343 11.822 -6.185 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.721 11.055 -6.003 1.00 0.00 C ATOM 0 H VAL A 43 -17.736 12.312 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.460 10.442 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.014 9.801 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.293 11.868 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.362 11.564 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.650 12.792 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.638 11.112 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.093 12.004 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.413 10.257 -6.272 1.00 0.00 H new ATOM 636 N LYS A 44 -16.883 8.423 -8.912 1.00 0.00 N ATOM 637 CA LYS A 44 -17.707 7.284 -9.300 1.00 0.00 C ATOM 638 C LYS A 44 -17.833 6.288 -8.152 1.00 0.00 C ATOM 639 O LYS A 44 -16.832 5.832 -7.600 1.00 0.00 O ATOM 640 CB LYS A 44 -17.110 6.592 -10.527 1.00 0.00 C ATOM 641 CG LYS A 44 -18.045 5.584 -11.172 1.00 0.00 C ATOM 642 CD LYS A 44 -17.312 4.700 -12.168 1.00 0.00 C ATOM 643 CE LYS A 44 -18.091 3.428 -12.463 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.269 2.434 -13.207 1.00 0.00 N ATOM 0 H LYS A 44 -15.879 8.257 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.702 7.654 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.840 7.348 -11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.189 6.087 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.501 4.964 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.855 6.110 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.149 5.251 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.329 4.443 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.435 2.987 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.979 3.673 -13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.836 1.581 -13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.962 2.845 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.434 2.181 -12.641 1.00 0.00 H new ATOM 658 N PHE A 45 -19.070 5.953 -7.799 1.00 0.00 N ATOM 659 CA PHE A 45 -19.327 5.010 -6.717 1.00 0.00 C ATOM 660 C PHE A 45 -19.023 3.581 -7.157 1.00 0.00 C ATOM 661 O PHE A 45 -18.852 3.307 -8.346 1.00 0.00 O ATOM 662 CB PHE A 45 -20.782 5.114 -6.256 1.00 0.00 C ATOM 663 CG PHE A 45 -21.064 6.338 -5.431 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.724 6.377 -4.089 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.669 7.448 -5.999 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.981 7.502 -3.327 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.928 8.575 -5.242 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.585 8.601 -3.904 1.00 0.00 C ATOM 0 H PHE A 45 -19.910 6.321 -8.247 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.670 5.263 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.432 5.117 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.035 4.227 -5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.253 5.519 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.941 7.432 -7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.710 7.521 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.398 9.435 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.789 9.480 -3.310 1.00 0.00 H new ATOM 678 N THR A 46 -18.955 2.672 -6.190 1.00 0.00 N ATOM 679 CA THR A 46 -18.669 1.271 -6.475 1.00 0.00 C ATOM 680 C THR A 46 -19.918 0.412 -6.317 1.00 0.00 C ATOM 681 O THR A 46 -20.105 -0.567 -7.040 1.00 0.00 O ATOM 682 CB THR A 46 -17.564 0.724 -5.553 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.695 1.787 -5.146 1.00 0.00 O ATOM 684 CG2 THR A 46 -16.756 -0.356 -6.258 1.00 0.00 C ATOM 0 H THR A 46 -19.094 2.881 -5.201 1.00 0.00 H new ATOM 0 HA THR A 46 -18.326 1.223 -7.509 1.00 0.00 H new ATOM 0 HB THR A 46 -18.038 0.286 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.910 1.413 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.981 -0.727 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.415 -1.177 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 46 -16.292 0.062 -7.152 1.00 0.00 H new ATOM 692 N ASP A 47 -20.771 0.784 -5.369 1.00 0.00 N ATOM 693 CA ASP A 47 -22.004 0.048 -5.118 1.00 0.00 C ATOM 694 C ASP A 47 -22.753 -0.218 -6.420 1.00 0.00 C ATOM 695 O ASP A 47 -23.262 -1.317 -6.642 1.00 0.00 O ATOM 696 CB ASP A 47 -22.899 0.824 -4.150 1.00 0.00 C ATOM 697 CG ASP A 47 -22.208 1.118 -2.832 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.096 1.685 -2.859 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.779 0.780 -1.774 1.00 0.00 O ATOM 0 H ASP A 47 -20.631 1.591 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.741 -0.910 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.204 1.762 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.807 0.252 -3.961 1.00 0.00 H new ATOM 704 N TYR A 48 -22.819 0.796 -7.276 1.00 0.00 N ATOM 705 CA TYR A 48 -23.509 0.673 -8.554 1.00 0.00 C ATOM 706 C TYR A 48 -22.577 1.014 -9.712 1.00 0.00 C ATOM 707 O TYR A 48 -22.478 0.269 -10.686 1.00 0.00 O ATOM 708 CB TYR A 48 -24.735 1.587 -8.586 1.00 0.00 C ATOM 709 CG TYR A 48 -25.530 1.579 -7.299 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.091 2.281 -6.184 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.721 0.869 -7.200 1.00 0.00 C ATOM 712 CE1 TYR A 48 -25.813 2.275 -5.006 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.450 0.859 -6.027 1.00 0.00 C ATOM 714 CZ TYR A 48 -26.992 1.563 -4.933 1.00 0.00 C ATOM 715 OH TYR A 48 -27.716 1.556 -3.762 1.00 0.00 O ATOM 0 H TYR A 48 -22.403 1.712 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.832 -0.362 -8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.412 2.606 -8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.384 1.281 -9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.169 2.841 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.082 0.316 -8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.456 2.825 -4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.374 0.303 -5.967 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.520 1.008 -3.878 1.00 0.00 H new ATOM 725 N GLY A 49 -21.892 2.149 -9.598 1.00 0.00 N ATOM 726 CA GLY A 49 -20.976 2.571 -10.641 1.00 0.00 C ATOM 727 C GLY A 49 -21.443 3.826 -11.350 1.00 0.00 C ATOM 728 O GLY A 49 -21.265 3.966 -12.560 1.00 0.00 O ATOM 0 H GLY A 49 -21.956 2.783 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.992 2.748 -10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.863 1.767 -11.368 1.00 0.00 H new ATOM 732 N ASN A 50 -22.044 4.741 -10.597 1.00 0.00 N ATOM 733 CA ASN A 50 -22.541 5.990 -11.162 1.00 0.00 C ATOM 734 C ASN A 50 -21.725 7.177 -10.660 1.00 0.00 C ATOM 735 O ASN A 50 -21.231 7.171 -9.532 1.00 0.00 O ATOM 736 CB ASN A 50 -24.017 6.184 -10.807 1.00 0.00 C ATOM 737 CG ASN A 50 -24.313 5.835 -9.361 1.00 0.00 C ATOM 738 OD1 ASN A 50 -25.089 4.922 -9.078 1.00 0.00 O ATOM 739 ND2 ASN A 50 -23.696 6.564 -8.438 1.00 0.00 N ATOM 0 H ASN A 50 -22.199 4.641 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.440 5.935 -12.246 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.300 7.220 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.630 5.564 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -23.857 6.377 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.061 7.311 -8.719 1.00 0.00 H new ATOM 746 N TYR A 51 -21.589 8.194 -11.504 1.00 0.00 N ATOM 747 CA TYR A 51 -20.831 9.387 -11.147 1.00 0.00 C ATOM 748 C TYR A 51 -21.698 10.369 -10.364 1.00 0.00 C ATOM 749 O TYR A 51 -22.918 10.396 -10.520 1.00 0.00 O ATOM 750 CB TYR A 51 -20.283 10.064 -12.404 1.00 0.00 C ATOM 751 CG TYR A 51 -19.453 9.146 -13.273 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.222 8.671 -12.839 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.901 8.752 -14.528 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.460 7.833 -13.630 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.147 7.913 -15.325 1.00 0.00 C ATOM 756 CZ TYR A 51 -17.927 7.456 -14.872 1.00 0.00 C ATOM 757 OH TYR A 51 -17.172 6.620 -15.662 1.00 0.00 O ATOM 0 H TYR A 51 -21.994 8.216 -12.440 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.998 9.081 -10.515 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.116 10.451 -12.991 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.675 10.920 -12.110 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.854 8.962 -11.866 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.856 9.108 -14.886 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.504 7.475 -13.278 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.511 7.616 -16.298 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.644 6.451 -16.504 1.00 0.00 H new ATOM 767 N GLU A 52 -21.057 11.174 -9.523 1.00 0.00 N ATOM 768 CA GLU A 52 -21.770 12.158 -8.716 1.00 0.00 C ATOM 769 C GLU A 52 -20.847 13.306 -8.318 1.00 0.00 C ATOM 770 O GLU A 52 -19.680 13.093 -7.992 1.00 0.00 O ATOM 771 CB GLU A 52 -22.350 11.498 -7.463 1.00 0.00 C ATOM 772 CG GLU A 52 -23.728 10.894 -7.676 1.00 0.00 C ATOM 773 CD GLU A 52 -24.758 11.925 -8.096 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.665 13.079 -7.629 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.657 11.577 -8.890 1.00 0.00 O ATOM 0 H GLU A 52 -20.047 11.165 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.585 12.561 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.669 10.717 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.406 12.239 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.666 10.117 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.056 10.413 -6.755 1.00 0.00 H new ATOM 782 N GLU A 53 -21.380 14.523 -8.347 1.00 0.00 N ATOM 783 CA GLU A 53 -20.604 15.705 -7.991 1.00 0.00 C ATOM 784 C GLU A 53 -20.591 15.913 -6.480 1.00 0.00 C ATOM 785 O GLU A 53 -21.558 16.409 -5.901 1.00 0.00 O ATOM 786 CB GLU A 53 -21.176 16.945 -8.682 1.00 0.00 C ATOM 787 CG GLU A 53 -20.350 18.201 -8.461 1.00 0.00 C ATOM 788 CD GLU A 53 -20.892 19.397 -9.219 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.216 19.244 -10.415 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.992 20.486 -8.616 1.00 0.00 O ATOM 0 H GLU A 53 -22.345 14.716 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.579 15.550 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.250 16.753 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.189 17.118 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.325 18.432 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.322 18.014 -8.771 1.00 0.00 H new ATOM 797 N VAL A 54 -19.488 15.528 -5.845 1.00 0.00 N ATOM 798 CA VAL A 54 -19.348 15.671 -4.401 1.00 0.00 C ATOM 799 C VAL A 54 -18.168 16.571 -4.050 1.00 0.00 C ATOM 800 O VAL A 54 -17.186 16.642 -4.791 1.00 0.00 O ATOM 801 CB VAL A 54 -19.158 14.304 -3.717 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.553 14.381 -2.250 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.960 13.232 -4.438 1.00 0.00 C ATOM 0 H VAL A 54 -18.679 15.115 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.269 16.126 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.103 14.034 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.412 13.406 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.930 15.119 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.600 14.673 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.814 12.273 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.018 13.494 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.624 13.160 -5.472 1.00 0.00 H new ATOM 813 N LEU A 55 -18.270 17.256 -2.917 1.00 0.00 N ATOM 814 CA LEU A 55 -17.211 18.152 -2.467 1.00 0.00 C ATOM 815 C LEU A 55 -16.008 17.362 -1.960 1.00 0.00 C ATOM 816 O LEU A 55 -16.161 16.323 -1.316 1.00 0.00 O ATOM 817 CB LEU A 55 -17.731 19.075 -1.364 1.00 0.00 C ATOM 818 CG LEU A 55 -18.363 20.387 -1.829 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.435 20.840 -0.850 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.300 21.463 -1.993 1.00 0.00 C ATOM 0 H LEU A 55 -19.075 17.208 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.894 18.756 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.469 18.527 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.903 19.311 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.833 20.218 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.873 21.775 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.212 20.078 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.989 20.992 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.768 22.390 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.801 21.630 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.568 21.141 -2.734 1.00 0.00 H new ATOM 832 N LEU A 56 -14.813 17.862 -2.252 1.00 0.00 N ATOM 833 CA LEU A 56 -13.583 17.204 -1.824 1.00 0.00 C ATOM 834 C LEU A 56 -13.481 17.178 -0.302 1.00 0.00 C ATOM 835 O LEU A 56 -12.832 16.303 0.271 1.00 0.00 O ATOM 836 CB LEU A 56 -12.367 17.919 -2.415 1.00 0.00 C ATOM 837 CG LEU A 56 -12.317 18.008 -3.941 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.259 19.007 -4.383 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.046 16.638 -4.547 1.00 0.00 C ATOM 0 H LEU A 56 -14.669 18.721 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.605 16.176 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.333 18.931 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.468 17.408 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.287 18.355 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.238 19.057 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.497 19.991 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.283 18.690 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.014 16.721 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.090 16.262 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.840 15.949 -4.259 1.00 0.00 H new ATOM 851 N SER A 57 -14.128 18.141 0.346 1.00 0.00 N ATOM 852 CA SER A 57 -14.109 18.230 1.801 1.00 0.00 C ATOM 853 C SER A 57 -15.024 17.178 2.421 1.00 0.00 C ATOM 854 O SER A 57 -15.049 17.002 3.639 1.00 0.00 O ATOM 855 CB SER A 57 -14.539 19.626 2.254 1.00 0.00 C ATOM 856 OG SER A 57 -13.978 19.949 3.515 1.00 0.00 O ATOM 0 H SER A 57 -14.672 18.871 -0.114 1.00 0.00 H new ATOM 0 HA SER A 57 -13.089 18.045 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.228 20.364 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.626 19.674 2.313 1.00 0.00 H new ATOM 0 HG SER A 57 -14.267 20.847 3.781 1.00 0.00 H new ATOM 862 N ASN A 58 -15.773 16.481 1.574 1.00 0.00 N ATOM 863 CA ASN A 58 -16.691 15.446 2.037 1.00 0.00 C ATOM 864 C ASN A 58 -16.197 14.060 1.632 1.00 0.00 C ATOM 865 O ASN A 58 -16.976 13.110 1.560 1.00 0.00 O ATOM 866 CB ASN A 58 -18.092 15.686 1.471 1.00 0.00 C ATOM 867 CG ASN A 58 -18.703 16.981 1.971 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.275 17.531 2.985 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.709 17.473 1.258 1.00 0.00 N ATOM 0 H ASN A 58 -15.763 16.614 0.563 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.734 15.494 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.042 15.707 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.739 14.853 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.160 18.342 1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.031 16.982 0.424 1.00 0.00 H new ATOM 876 N ILE A 59 -14.899 13.954 1.370 1.00 0.00 N ATOM 877 CA ILE A 59 -14.301 12.685 0.975 1.00 0.00 C ATOM 878 C ILE A 59 -13.237 12.243 1.974 1.00 0.00 C ATOM 879 O ILE A 59 -12.626 13.068 2.653 1.00 0.00 O ATOM 880 CB ILE A 59 -13.668 12.773 -0.427 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.475 13.723 -1.315 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.584 11.391 -1.058 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.052 13.696 -2.767 1.00 0.00 C ATOM 0 H ILE A 59 -14.241 14.732 1.424 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.106 11.950 0.956 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.657 13.168 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.531 13.462 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.373 14.739 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.135 11.470 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.972 10.742 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.585 10.970 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.666 14.393 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.004 13.986 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.181 12.689 -3.165 1.00 0.00 H new ATOM 895 N LYS A 60 -13.019 10.935 2.057 1.00 0.00 N ATOM 896 CA LYS A 60 -12.026 10.381 2.971 1.00 0.00 C ATOM 897 C LYS A 60 -11.182 9.317 2.277 1.00 0.00 C ATOM 898 O LYS A 60 -11.676 8.525 1.474 1.00 0.00 O ATOM 899 CB LYS A 60 -12.713 9.781 4.200 1.00 0.00 C ATOM 900 CG LYS A 60 -13.975 10.519 4.612 1.00 0.00 C ATOM 901 CD LYS A 60 -13.655 11.870 5.229 1.00 0.00 C ATOM 902 CE LYS A 60 -14.768 12.876 4.977 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.866 13.881 6.071 1.00 0.00 N ATOM 0 H LYS A 60 -13.517 10.238 1.502 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.369 11.191 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.962 8.740 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.012 9.783 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.617 10.658 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.534 9.915 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.504 11.754 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.721 12.248 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.589 13.386 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.718 12.350 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.636 14.548 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.062 13.397 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.968 14.401 6.146 1.00 0.00 H new ATOM 917 N PRO A 61 -9.879 9.296 2.593 1.00 0.00 N ATOM 918 CA PRO A 61 -8.939 8.332 2.012 1.00 0.00 C ATOM 919 C PRO A 61 -9.184 6.912 2.510 1.00 0.00 C ATOM 920 O PRO A 61 -9.358 6.685 3.707 1.00 0.00 O ATOM 921 CB PRO A 61 -7.574 8.838 2.486 1.00 0.00 C ATOM 922 CG PRO A 61 -7.864 9.595 3.736 1.00 0.00 C ATOM 923 CD PRO A 61 -9.222 10.211 3.542 1.00 0.00 C ATOM 0 HA PRO A 61 -9.033 8.273 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.889 8.011 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.106 9.476 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.855 8.934 4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.109 10.362 3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.771 10.278 4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.151 11.222 3.142 1.00 0.00 H new ATOM 931 N VAL A 62 -9.194 5.958 1.584 1.00 0.00 N ATOM 932 CA VAL A 62 -9.416 4.559 1.930 1.00 0.00 C ATOM 933 C VAL A 62 -8.171 3.722 1.657 1.00 0.00 C ATOM 934 O VAL A 62 -7.580 3.804 0.581 1.00 0.00 O ATOM 935 CB VAL A 62 -10.601 3.968 1.144 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.411 4.182 -0.350 1.00 0.00 C ATOM 937 CG2 VAL A 62 -10.766 2.489 1.462 1.00 0.00 C ATOM 0 H VAL A 62 -9.051 6.129 0.589 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.645 4.528 2.995 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.511 4.486 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.258 3.758 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.346 5.250 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.493 3.692 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.608 2.087 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.857 1.954 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.952 2.365 2.529 1.00 0.00 H new