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= -0.765 X(o=-0.77,f=-1.2!) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 70:sc= -2.83 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -5.93! C(o=-5.9!,f=-4.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -140:sc= 0.52 USER MOD Single : A 36 SER OG : rot 180:sc= -0.391 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+ -168:sc= 0 (180deg=-0.0453) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.978 K(o=-0.98,f=-1.9!) 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= -0.0273 K(o=-0.027,f=-2.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.033 15.353 -0.926 1.00 0.00 N ATOM 89 CA VAL A 9 -4.522 15.788 -2.228 1.00 0.00 C ATOM 90 C VAL A 9 -5.135 14.626 -3.002 1.00 0.00 C ATOM 91 O VAL A 9 -4.640 13.500 -2.945 1.00 0.00 O ATOM 92 CB VAL A 9 -3.395 16.413 -3.071 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.282 15.404 -3.307 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.943 16.934 -4.391 1.00 0.00 C ATOM 0 HA VAL A 9 -5.288 16.541 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.977 17.256 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.495 15.864 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.871 15.085 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.681 14.539 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.133 17.372 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.388 16.111 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.701 17.692 -4.196 1.00 0.00 H new ATOM 104 N TRP A 10 -6.214 14.907 -3.723 1.00 0.00 N ATOM 105 CA TRP A 10 -6.895 13.884 -4.509 1.00 0.00 C ATOM 106 C TRP A 10 -6.372 13.860 -5.941 1.00 0.00 C ATOM 107 O TRP A 10 -5.737 14.811 -6.397 1.00 0.00 O ATOM 108 CB TRP A 10 -8.404 14.132 -4.509 1.00 0.00 C ATOM 109 CG TRP A 10 -9.025 14.011 -3.150 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.612 15.009 -2.426 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.119 12.826 -2.353 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.066 14.515 -1.226 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.776 13.178 -1.158 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.715 11.500 -2.534 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.035 12.253 -0.150 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.971 10.583 -1.532 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.627 10.962 -0.353 1.00 0.00 C ATOM 0 H TRP A 10 -6.636 15.834 -3.780 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.693 12.916 -4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.601 15.129 -4.904 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.882 13.422 -5.184 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.706 16.035 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.541 15.056 -0.504 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.212 11.198 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.540 12.544 0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.660 9.557 -1.660 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.814 10.221 0.410 1.00 0.00 H new ATOM 128 N LYS A 11 -6.641 12.767 -6.647 1.00 0.00 N ATOM 129 CA LYS A 11 -6.199 12.619 -8.028 1.00 0.00 C ATOM 130 C LYS A 11 -7.112 11.665 -8.792 1.00 0.00 C ATOM 131 O LYS A 11 -7.762 10.793 -8.214 1.00 0.00 O ATOM 132 CB LYS A 11 -4.758 12.107 -8.072 1.00 0.00 C ATOM 133 CG LYS A 11 -3.922 12.542 -6.881 1.00 0.00 C ATOM 134 CD LYS A 11 -2.499 12.016 -6.976 1.00 0.00 C ATOM 135 CE LYS A 11 -1.800 12.525 -8.227 1.00 0.00 C ATOM 136 NZ LYS A 11 -0.374 12.098 -8.278 1.00 0.00 N ATOM 0 H LYS A 11 -7.164 11.970 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.245 13.598 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.769 11.018 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.283 12.461 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.905 13.630 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.383 12.183 -5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.937 12.322 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.512 10.926 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.321 12.156 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.855 13.613 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.067 12.465 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.130 12.471 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.322 11.059 -8.276 1.00 0.00 H new ATOM 150 N PRO A 12 -7.162 11.830 -10.122 1.00 0.00 N ATOM 151 CA PRO A 12 -7.990 10.991 -10.994 1.00 0.00 C ATOM 152 C PRO A 12 -7.465 9.563 -11.093 1.00 0.00 C ATOM 153 O PRO A 12 -6.528 9.286 -11.840 1.00 0.00 O ATOM 154 CB PRO A 12 -7.897 11.690 -12.352 1.00 0.00 C ATOM 155 CG PRO A 12 -6.604 12.430 -12.310 1.00 0.00 C ATOM 156 CD PRO A 12 -6.413 12.848 -10.878 1.00 0.00 C ATOM 0 HA PRO A 12 -9.009 10.894 -10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.914 10.970 -13.170 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.736 12.368 -12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.782 11.798 -12.645 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.629 13.297 -12.970 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.359 12.860 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.802 13.850 -10.697 1.00 0.00 H new ATOM 164 N GLY A 13 -8.076 8.658 -10.333 1.00 0.00 N ATOM 165 CA GLY A 13 -7.656 7.269 -10.350 1.00 0.00 C ATOM 166 C GLY A 13 -7.339 6.742 -8.965 1.00 0.00 C ATOM 167 O GLY A 13 -6.477 5.877 -8.805 1.00 0.00 O ATOM 0 H GLY A 13 -8.854 8.863 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.443 6.660 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.776 7.167 -10.985 1.00 0.00 H new ATOM 171 N ASP A 14 -8.036 7.264 -7.961 1.00 0.00 N ATOM 172 CA ASP A 14 -7.824 6.841 -6.582 1.00 0.00 C ATOM 173 C ASP A 14 -9.152 6.537 -5.897 1.00 0.00 C ATOM 174 O ASP A 14 -10.075 7.350 -5.923 1.00 0.00 O ATOM 175 CB ASP A 14 -7.070 7.921 -5.805 1.00 0.00 C ATOM 176 CG ASP A 14 -5.592 7.953 -6.142 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.260 8.037 -7.342 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.768 7.892 -5.205 1.00 0.00 O ATOM 0 H ASP A 14 -8.752 7.981 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.226 5.930 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.510 8.894 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.192 7.747 -4.736 1.00 0.00 H new ATOM 183 N GLU A 15 -9.241 5.360 -5.285 1.00 0.00 N ATOM 184 CA GLU A 15 -10.458 4.948 -4.594 1.00 0.00 C ATOM 185 C GLU A 15 -10.639 5.732 -3.298 1.00 0.00 C ATOM 186 O GLU A 15 -9.736 5.787 -2.462 1.00 0.00 O ATOM 187 CB GLU A 15 -10.418 3.448 -4.295 1.00 0.00 C ATOM 188 CG GLU A 15 -9.242 3.031 -3.428 1.00 0.00 C ATOM 189 CD GLU A 15 -8.789 1.611 -3.704 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.078 1.100 -4.807 1.00 0.00 O ATOM 191 OE2 GLU A 15 -8.145 1.010 -2.819 1.00 0.00 O ATOM 0 H GLU A 15 -8.486 4.675 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.305 5.158 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.345 3.160 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.377 2.900 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.410 3.714 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.519 3.122 -2.378 1.00 0.00 H new ATOM 198 N CYS A 16 -11.811 6.337 -3.138 1.00 0.00 N ATOM 199 CA CYS A 16 -12.111 7.120 -1.944 1.00 0.00 C ATOM 200 C CYS A 16 -13.580 6.982 -1.559 1.00 0.00 C ATOM 201 O CYS A 16 -14.376 6.407 -2.302 1.00 0.00 O ATOM 202 CB CYS A 16 -11.768 8.592 -2.175 1.00 0.00 C ATOM 203 SG CYS A 16 -12.708 9.370 -3.509 1.00 0.00 S ATOM 0 H CYS A 16 -12.569 6.300 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.502 6.737 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.944 9.144 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.704 8.675 -2.398 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.949 9.501 -3.146 1.00 0.00 H new ATOM 209 N PHE A 17 -13.933 7.511 -0.393 1.00 0.00 N ATOM 210 CA PHE A 17 -15.306 7.445 0.093 1.00 0.00 C ATOM 211 C PHE A 17 -16.001 8.795 -0.055 1.00 0.00 C ATOM 212 O PHE A 17 -15.567 9.795 0.517 1.00 0.00 O ATOM 213 CB PHE A 17 -15.331 7.004 1.558 1.00 0.00 C ATOM 214 CG PHE A 17 -15.337 5.512 1.735 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.185 4.772 1.524 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.494 4.850 2.112 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.187 3.399 1.685 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.503 3.478 2.275 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.348 2.752 2.062 1.00 0.00 C ATOM 0 H PHE A 17 -13.287 7.991 0.234 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.843 6.712 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.462 7.419 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.214 7.423 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.275 5.274 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.400 5.413 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.283 2.833 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.412 2.974 2.569 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.352 1.680 2.190 1.00 0.00 H new ATOM 229 N ALA A 18 -17.082 8.816 -0.828 1.00 0.00 N ATOM 230 CA ALA A 18 -17.839 10.042 -1.050 1.00 0.00 C ATOM 231 C ALA A 18 -19.230 9.949 -0.432 1.00 0.00 C ATOM 232 O ALA A 18 -19.865 8.895 -0.465 1.00 0.00 O ATOM 233 CB ALA A 18 -17.939 10.337 -2.539 1.00 0.00 C ATOM 0 H ALA A 18 -17.453 7.998 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.309 10.860 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.507 11.255 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.938 10.456 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.444 9.511 -3.040 1.00 0.00 H new ATOM 239 N LEU A 19 -19.697 11.058 0.131 1.00 0.00 N ATOM 240 CA LEU A 19 -21.014 11.101 0.757 1.00 0.00 C ATOM 241 C LEU A 19 -22.112 11.240 -0.292 1.00 0.00 C ATOM 242 O LEU A 19 -22.192 12.250 -0.992 1.00 0.00 O ATOM 243 CB LEU A 19 -21.091 12.263 1.749 1.00 0.00 C ATOM 244 CG LEU A 19 -22.018 12.062 2.948 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.436 11.037 3.908 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.262 13.384 3.661 1.00 0.00 C ATOM 0 H LEU A 19 -19.184 11.939 0.167 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.165 10.163 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.086 12.463 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.415 13.153 1.210 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.974 11.686 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.110 10.908 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.314 10.084 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.466 11.383 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.924 13.222 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.313 13.789 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.724 14.090 2.971 1.00 0.00 H new ATOM 258 N TYR A 20 -22.957 10.220 -0.395 1.00 0.00 N ATOM 259 CA TYR A 20 -24.051 10.228 -1.359 1.00 0.00 C ATOM 260 C TYR A 20 -24.873 11.508 -1.239 1.00 0.00 C ATOM 261 O TYR A 20 -24.923 12.130 -0.178 1.00 0.00 O ATOM 262 CB TYR A 20 -24.951 9.009 -1.151 1.00 0.00 C ATOM 263 CG TYR A 20 -25.683 8.577 -2.401 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.021 8.477 -3.618 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.038 8.267 -2.364 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.687 8.083 -4.763 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.711 7.871 -3.504 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.031 7.781 -4.701 1.00 0.00 C ATOM 269 OH TYR A 20 -27.697 7.386 -5.838 1.00 0.00 O ATOM 0 H TYR A 20 -22.905 9.377 0.177 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.620 10.187 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.345 8.178 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.680 9.235 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.968 8.711 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.573 8.337 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.158 8.012 -5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.764 7.633 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.637 7.210 -5.622 1.00 0.00 H new ATOM 279 N TRP A 21 -25.516 11.894 -2.335 1.00 0.00 N ATOM 280 CA TRP A 21 -26.337 13.100 -2.355 1.00 0.00 C ATOM 281 C TRP A 21 -27.787 12.776 -2.011 1.00 0.00 C ATOM 282 O TRP A 21 -28.620 13.674 -1.891 1.00 0.00 O ATOM 283 CB TRP A 21 -26.263 13.770 -3.727 1.00 0.00 C ATOM 284 CG TRP A 21 -26.902 12.964 -4.818 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.287 12.059 -5.635 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.278 12.992 -5.210 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.199 11.523 -6.512 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.428 12.078 -6.271 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.400 13.699 -4.767 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.653 11.855 -6.894 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.614 13.477 -5.387 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.734 12.561 -6.440 1.00 0.00 C ATOM 0 H TRP A 21 -25.485 11.390 -3.221 1.00 0.00 H new ATOM 0 HA TRP A 21 -25.949 13.787 -1.603 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.748 14.745 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.218 13.947 -3.981 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.239 11.802 -5.597 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.994 10.825 -7.227 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.319 14.406 -3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.747 11.150 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.487 14.019 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.698 12.409 -6.902 1.00 0.00 H new ATOM 303 N GLU A 22 -28.081 11.489 -1.854 1.00 0.00 N ATOM 304 CA GLU A 22 -29.431 11.049 -1.525 1.00 0.00 C ATOM 305 C GLU A 22 -29.438 10.230 -0.237 1.00 0.00 C ATOM 306 O GLU A 22 -30.493 9.974 0.343 1.00 0.00 O ATOM 307 CB GLU A 22 -30.016 10.222 -2.672 1.00 0.00 C ATOM 308 CG GLU A 22 -30.729 11.057 -3.722 1.00 0.00 C ATOM 309 CD GLU A 22 -31.785 10.271 -4.474 1.00 0.00 C ATOM 310 OE1 GLU A 22 -31.452 9.197 -5.017 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.945 10.731 -4.520 1.00 0.00 O ATOM 0 H GLU A 22 -27.402 10.733 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.048 11.935 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.213 9.660 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.716 9.493 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.195 11.917 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -29.997 11.445 -4.430 1.00 0.00 H new ATOM 318 N ASP A 23 -28.253 9.820 0.202 1.00 0.00 N ATOM 319 CA ASP A 23 -28.121 9.030 1.420 1.00 0.00 C ATOM 320 C ASP A 23 -27.243 9.747 2.441 1.00 0.00 C ATOM 321 O ASP A 23 -27.291 9.450 3.634 1.00 0.00 O ATOM 322 CB ASP A 23 -27.533 7.654 1.100 1.00 0.00 C ATOM 323 CG ASP A 23 -27.727 6.665 2.232 1.00 0.00 C ATOM 324 OD1 ASP A 23 -27.528 7.054 3.402 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.078 5.501 1.948 1.00 0.00 O ATOM 0 H ASP A 23 -27.370 10.022 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.115 8.901 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -28.000 7.264 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -26.468 7.757 0.890 1.00 0.00 H new ATOM 330 N ASN A 24 -26.440 10.692 1.962 1.00 0.00 N ATOM 331 CA ASN A 24 -25.549 11.451 2.833 1.00 0.00 C ATOM 332 C ASN A 24 -24.695 10.517 3.684 1.00 0.00 C ATOM 333 O ASN A 24 -24.266 10.876 4.781 1.00 0.00 O ATOM 334 CB ASN A 24 -26.358 12.385 3.735 1.00 0.00 C ATOM 335 CG ASN A 24 -27.011 11.651 4.890 1.00 0.00 C ATOM 336 OD1 ASN A 24 -26.357 11.319 5.879 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.308 11.393 4.769 1.00 0.00 N ATOM 0 H ASN A 24 -26.388 10.950 0.977 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.887 12.047 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -25.704 13.164 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -27.127 12.882 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.802 10.901 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.810 11.687 3.931 1.00 0.00 H new ATOM 344 N LYS A 25 -24.451 9.315 3.172 1.00 0.00 N ATOM 345 CA LYS A 25 -23.647 8.329 3.883 1.00 0.00 C ATOM 346 C LYS A 25 -22.341 8.056 3.143 1.00 0.00 C ATOM 347 O LYS A 25 -22.291 8.100 1.914 1.00 0.00 O ATOM 348 CB LYS A 25 -24.432 7.026 4.050 1.00 0.00 C ATOM 349 CG LYS A 25 -25.431 7.060 5.194 1.00 0.00 C ATOM 350 CD LYS A 25 -24.750 6.851 6.536 1.00 0.00 C ATOM 351 CE LYS A 25 -25.753 6.874 7.679 1.00 0.00 C ATOM 352 NZ LYS A 25 -25.086 6.754 9.005 1.00 0.00 N ATOM 0 H LYS A 25 -24.799 9.001 2.266 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.409 8.732 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.962 6.809 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.731 6.208 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.952 8.017 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.185 6.287 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -24.222 5.897 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.002 7.629 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -26.324 7.802 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.464 6.057 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.804 6.774 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.562 5.857 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.426 7.547 9.135 1.00 0.00 H new ATOM 366 N PHE A 26 -21.285 7.773 3.899 1.00 0.00 N ATOM 367 CA PHE A 26 -19.979 7.493 3.315 1.00 0.00 C ATOM 368 C PHE A 26 -19.988 6.156 2.579 1.00 0.00 C ATOM 369 O PHE A 26 -20.172 5.102 3.187 1.00 0.00 O ATOM 370 CB PHE A 26 -18.902 7.482 4.402 1.00 0.00 C ATOM 371 CG PHE A 26 -18.544 8.851 4.905 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.137 9.842 4.026 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.615 9.148 6.256 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.806 11.102 4.486 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.286 10.407 6.722 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.882 11.386 5.836 1.00 0.00 C ATOM 0 H PHE A 26 -21.309 7.732 4.918 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.753 8.282 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.248 6.875 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.006 7.002 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.078 9.627 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.931 8.387 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.488 11.865 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.345 10.625 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.626 12.371 6.197 1.00 0.00 H new ATOM 386 N TYR A 27 -19.788 6.209 1.267 1.00 0.00 N ATOM 387 CA TYR A 27 -19.776 5.004 0.446 1.00 0.00 C ATOM 388 C TYR A 27 -18.531 4.957 -0.434 1.00 0.00 C ATOM 389 O TYR A 27 -17.990 5.994 -0.820 1.00 0.00 O ATOM 390 CB TYR A 27 -21.032 4.942 -0.424 1.00 0.00 C ATOM 391 CG TYR A 27 -22.315 4.836 0.370 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.403 3.999 1.475 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.437 5.574 0.015 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.573 3.899 2.203 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.611 5.481 0.738 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.674 4.642 1.831 1.00 0.00 C ATOM 397 OH TYR A 27 -25.841 4.546 2.554 1.00 0.00 O ATOM 0 H TYR A 27 -19.632 7.074 0.749 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.761 4.141 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.075 5.834 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.958 4.086 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.543 3.417 1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.391 6.232 -0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.625 3.242 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.474 6.062 0.449 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.606 4.548 1.942 1.00 0.00 H new ATOM 407 N ARG A 28 -18.082 3.746 -0.748 1.00 0.00 N ATOM 408 CA ARG A 28 -16.900 3.562 -1.582 1.00 0.00 C ATOM 409 C ARG A 28 -17.053 4.297 -2.911 1.00 0.00 C ATOM 410 O ARG A 28 -18.164 4.479 -3.407 1.00 0.00 O ATOM 411 CB ARG A 28 -16.656 2.074 -1.836 1.00 0.00 C ATOM 412 CG ARG A 28 -15.240 1.757 -2.289 1.00 0.00 C ATOM 413 CD ARG A 28 -14.320 1.503 -1.105 1.00 0.00 C ATOM 414 NE ARG A 28 -13.048 0.915 -1.516 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.933 -0.310 -2.015 1.00 0.00 C ATOM 416 NH1 ARG A 28 -14.007 -1.073 -2.165 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.741 -0.775 -2.366 1.00 0.00 N ATOM 0 H ARG A 28 -18.519 2.878 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.043 3.979 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.869 1.519 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.358 1.724 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.252 0.880 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.852 2.586 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.134 2.442 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.815 0.838 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.202 1.476 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.925 -0.719 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.915 -2.014 -2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.912 -0.191 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.653 -1.716 -2.749 1.00 0.00 H new ATOM 431 N ALA A 29 -15.929 4.718 -3.481 1.00 0.00 N ATOM 432 CA ALA A 29 -15.937 5.432 -4.751 1.00 0.00 C ATOM 433 C ALA A 29 -14.523 5.601 -5.296 1.00 0.00 C ATOM 434 O ALA A 29 -13.560 5.102 -4.713 1.00 0.00 O ATOM 435 CB ALA A 29 -16.608 6.788 -4.590 1.00 0.00 C ATOM 0 H ALA A 29 -15.001 4.577 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.506 4.840 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.607 7.310 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.636 6.648 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.063 7.378 -3.854 1.00 0.00 H new ATOM 441 N GLU A 30 -14.405 6.305 -6.417 1.00 0.00 N ATOM 442 CA GLU A 30 -13.107 6.537 -7.040 1.00 0.00 C ATOM 443 C GLU A 30 -13.066 7.903 -7.720 1.00 0.00 C ATOM 444 O GLU A 30 -13.908 8.215 -8.562 1.00 0.00 O ATOM 445 CB GLU A 30 -12.803 5.438 -8.060 1.00 0.00 C ATOM 446 CG GLU A 30 -11.585 5.728 -8.921 1.00 0.00 C ATOM 447 CD GLU A 30 -11.901 6.636 -10.093 1.00 0.00 C ATOM 448 OE1 GLU A 30 -13.072 6.657 -10.528 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.979 7.327 -10.575 1.00 0.00 O ATOM 0 H GLU A 30 -15.192 6.724 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.348 6.517 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.649 4.497 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.671 5.303 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.812 6.190 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.177 4.789 -9.294 1.00 0.00 H new ATOM 456 N VAL A 31 -12.081 8.714 -7.347 1.00 0.00 N ATOM 457 CA VAL A 31 -11.929 10.046 -7.920 1.00 0.00 C ATOM 458 C VAL A 31 -11.864 9.985 -9.442 1.00 0.00 C ATOM 459 O VAL A 31 -10.820 9.676 -10.016 1.00 0.00 O ATOM 460 CB VAL A 31 -10.662 10.743 -7.390 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.439 12.065 -8.110 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.759 10.955 -5.887 1.00 0.00 C ATOM 0 H VAL A 31 -11.376 8.472 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.804 10.622 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.805 10.099 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.539 12.543 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.321 11.882 -9.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.296 12.718 -7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.855 11.449 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.625 11.578 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.866 9.991 -5.390 1.00 0.00 H new ATOM 472 N GLU A 32 -12.986 10.283 -10.089 1.00 0.00 N ATOM 473 CA GLU A 32 -13.056 10.261 -11.545 1.00 0.00 C ATOM 474 C GLU A 32 -12.283 11.433 -12.144 1.00 0.00 C ATOM 475 O GLU A 32 -11.447 11.251 -13.029 1.00 0.00 O ATOM 476 CB GLU A 32 -14.514 10.308 -12.009 1.00 0.00 C ATOM 477 CG GLU A 32 -14.725 9.760 -13.410 1.00 0.00 C ATOM 478 CD GLU A 32 -14.096 10.633 -14.479 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.001 11.859 -14.264 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.698 10.089 -15.530 1.00 0.00 O ATOM 0 H GLU A 32 -13.858 10.542 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.602 9.333 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.127 9.740 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.864 11.340 -11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.303 8.757 -13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.794 9.669 -13.603 1.00 0.00 H new ATOM 487 N ALA A 33 -12.569 12.635 -11.656 1.00 0.00 N ATOM 488 CA ALA A 33 -11.901 13.836 -12.141 1.00 0.00 C ATOM 489 C ALA A 33 -12.169 15.023 -11.222 1.00 0.00 C ATOM 490 O ALA A 33 -13.305 15.256 -10.807 1.00 0.00 O ATOM 491 CB ALA A 33 -12.349 14.153 -13.560 1.00 0.00 C ATOM 0 H ALA A 33 -13.260 12.803 -10.924 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.827 13.648 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.842 15.052 -13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.100 13.318 -14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.427 14.316 -13.574 1.00 0.00 H new ATOM 497 N LEU A 34 -11.117 15.770 -10.906 1.00 0.00 N ATOM 498 CA LEU A 34 -11.238 16.933 -10.035 1.00 0.00 C ATOM 499 C LEU A 34 -11.779 18.135 -10.803 1.00 0.00 C ATOM 500 O LEU A 34 -11.880 18.106 -12.030 1.00 0.00 O ATOM 501 CB LEU A 34 -9.882 17.277 -9.417 1.00 0.00 C ATOM 502 CG LEU A 34 -9.143 16.124 -8.736 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.642 16.367 -8.755 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.638 15.944 -7.308 1.00 0.00 C ATOM 0 H LEU A 34 -10.170 15.591 -11.240 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.941 16.687 -9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.240 17.681 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.030 18.071 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.349 15.208 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.133 15.536 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.299 16.446 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.417 17.293 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.102 15.120 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.462 16.860 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.705 15.724 -7.318 1.00 0.00 H new ATOM 516 N HIS A 35 -12.124 19.191 -10.073 1.00 0.00 N ATOM 517 CA HIS A 35 -12.652 20.405 -10.686 1.00 0.00 C ATOM 518 C HIS A 35 -11.596 21.505 -10.710 1.00 0.00 C ATOM 519 O HIS A 35 -10.982 21.811 -9.688 1.00 0.00 O ATOM 520 CB HIS A 35 -13.891 20.886 -9.930 1.00 0.00 C ATOM 521 CG HIS A 35 -14.583 22.040 -10.587 1.00 0.00 C ATOM 522 ND1 HIS A 35 -15.222 23.036 -9.880 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.732 22.355 -11.896 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.736 23.912 -10.725 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.452 23.522 -11.954 1.00 0.00 N ATOM 0 H HIS A 35 -12.047 19.231 -9.057 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.931 20.172 -11.714 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.593 20.058 -9.836 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.601 21.174 -8.920 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.355 21.793 -12.737 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.294 24.797 -10.456 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.724 24.009 -12.808 1.00 0.00 H new ATOM 534 N SER A 36 -11.390 22.096 -11.882 1.00 0.00 N ATOM 535 CA SER A 36 -10.404 23.160 -12.040 1.00 0.00 C ATOM 536 C SER A 36 -10.441 24.115 -10.850 1.00 0.00 C ATOM 537 O SER A 36 -9.417 24.379 -10.220 1.00 0.00 O ATOM 538 CB SER A 36 -10.659 23.932 -13.336 1.00 0.00 C ATOM 539 OG SER A 36 -11.823 24.732 -13.233 1.00 0.00 O ATOM 0 H SER A 36 -11.892 21.857 -12.737 1.00 0.00 H new ATOM 0 HA SER A 36 -9.416 22.703 -12.087 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.799 24.563 -13.562 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.767 23.232 -14.164 1.00 0.00 H new ATOM 0 HG SER A 36 -11.963 25.216 -14.074 1.00 0.00 H new ATOM 545 N SER A 37 -11.629 24.629 -10.549 1.00 0.00 N ATOM 546 CA SER A 37 -11.800 25.558 -9.438 1.00 0.00 C ATOM 547 C SER A 37 -11.067 25.060 -8.196 1.00 0.00 C ATOM 548 O SER A 37 -10.210 25.752 -7.649 1.00 0.00 O ATOM 549 CB SER A 37 -13.286 25.745 -9.126 1.00 0.00 C ATOM 550 OG SER A 37 -13.941 26.449 -10.167 1.00 0.00 O ATOM 0 H SER A 37 -12.487 24.418 -11.059 1.00 0.00 H new ATOM 0 HA SER A 37 -11.374 26.518 -9.730 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.757 24.772 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.398 26.289 -8.188 1.00 0.00 H new ATOM 0 HG SER A 37 -14.890 26.554 -9.944 1.00 0.00 H new ATOM 556 N GLY A 38 -11.412 23.854 -7.756 1.00 0.00 N ATOM 557 CA GLY A 38 -10.778 23.283 -6.582 1.00 0.00 C ATOM 558 C GLY A 38 -11.721 23.195 -5.399 1.00 0.00 C ATOM 559 O GLY A 38 -11.344 23.509 -4.271 1.00 0.00 O ATOM 0 H GLY A 38 -12.119 23.262 -8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.407 22.287 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.913 23.888 -6.309 1.00 0.00 H new ATOM 563 N MET A 39 -12.953 22.768 -5.657 1.00 0.00 N ATOM 564 CA MET A 39 -13.954 22.640 -4.604 1.00 0.00 C ATOM 565 C MET A 39 -14.656 21.289 -4.682 1.00 0.00 C ATOM 566 O MET A 39 -14.661 20.522 -3.718 1.00 0.00 O ATOM 567 CB MET A 39 -14.981 23.769 -4.707 1.00 0.00 C ATOM 568 CG MET A 39 -14.524 25.068 -4.063 1.00 0.00 C ATOM 569 SD MET A 39 -14.979 25.178 -2.321 1.00 0.00 S ATOM 570 CE MET A 39 -16.490 26.133 -2.427 1.00 0.00 C ATOM 0 H MET A 39 -13.282 22.505 -6.586 1.00 0.00 H new ATOM 0 HA MET A 39 -13.445 22.709 -3.643 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.202 23.953 -5.758 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.910 23.447 -4.237 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.442 25.155 -4.158 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.960 25.909 -4.602 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.895 26.286 -1.427 1.00 0.00 H new ATOM 0 HE2 MET A 39 -16.278 27.099 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 39 -17.218 25.596 -3.035 1.00 0.00 H new ATOM 580 N THR A 40 -15.251 21.002 -5.836 1.00 0.00 N ATOM 581 CA THR A 40 -15.958 19.744 -6.040 1.00 0.00 C ATOM 582 C THR A 40 -15.219 18.852 -7.030 1.00 0.00 C ATOM 583 O THR A 40 -14.355 19.316 -7.774 1.00 0.00 O ATOM 584 CB THR A 40 -17.391 19.981 -6.551 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.372 20.882 -7.664 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.272 20.549 -5.448 1.00 0.00 C ATOM 0 H THR A 40 -15.257 21.625 -6.644 1.00 0.00 H new ATOM 0 HA THR A 40 -16.003 19.247 -5.071 1.00 0.00 H new ATOM 0 HB THR A 40 -17.803 19.023 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.287 21.026 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.279 20.708 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.308 19.848 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.860 21.498 -5.106 1.00 0.00 H new ATOM 594 N ALA A 41 -15.564 17.568 -7.036 1.00 0.00 N ATOM 595 CA ALA A 41 -14.935 16.612 -7.937 1.00 0.00 C ATOM 596 C ALA A 41 -15.892 15.478 -8.291 1.00 0.00 C ATOM 597 O ALA A 41 -16.760 15.116 -7.497 1.00 0.00 O ATOM 598 CB ALA A 41 -13.663 16.056 -7.313 1.00 0.00 C ATOM 0 H ALA A 41 -16.276 17.167 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.677 17.135 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.204 15.343 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.967 16.872 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.906 15.555 -6.376 1.00 0.00 H new ATOM 604 N VAL A 42 -15.728 14.923 -9.487 1.00 0.00 N ATOM 605 CA VAL A 42 -16.578 13.831 -9.946 1.00 0.00 C ATOM 606 C VAL A 42 -16.046 12.484 -9.470 1.00 0.00 C ATOM 607 O VAL A 42 -14.981 12.038 -9.899 1.00 0.00 O ATOM 608 CB VAL A 42 -16.689 13.813 -11.482 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.633 12.710 -11.937 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.151 15.167 -11.998 1.00 0.00 C ATOM 0 H VAL A 42 -15.014 15.212 -10.156 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.567 13.999 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.702 13.608 -11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.699 12.713 -13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.255 11.745 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.623 12.880 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.224 15.136 -13.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.127 15.404 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.433 15.933 -11.704 1.00 0.00 H new ATOM 620 N VAL A 43 -16.794 11.838 -8.581 1.00 0.00 N ATOM 621 CA VAL A 43 -16.399 10.540 -8.048 1.00 0.00 C ATOM 622 C VAL A 43 -17.391 9.455 -8.451 1.00 0.00 C ATOM 623 O VAL A 43 -18.604 9.660 -8.410 1.00 0.00 O ATOM 624 CB VAL A 43 -16.289 10.575 -6.512 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.321 11.661 -6.070 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.660 10.782 -5.885 1.00 0.00 C ATOM 0 H VAL A 43 -17.677 12.193 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.421 10.308 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.900 9.616 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.257 11.670 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.335 11.463 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.676 12.630 -6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.564 10.804 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.080 11.726 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.320 9.964 -6.174 1.00 0.00 H new ATOM 636 N LYS A 44 -16.867 8.298 -8.842 1.00 0.00 N ATOM 637 CA LYS A 44 -17.705 7.178 -9.252 1.00 0.00 C ATOM 638 C LYS A 44 -18.009 6.264 -8.069 1.00 0.00 C ATOM 639 O LYS A 44 -17.101 5.801 -7.380 1.00 0.00 O ATOM 640 CB LYS A 44 -17.018 6.379 -10.362 1.00 0.00 C ATOM 641 CG LYS A 44 -17.905 5.314 -10.983 1.00 0.00 C ATOM 642 CD LYS A 44 -17.381 4.874 -12.340 1.00 0.00 C ATOM 643 CE LYS A 44 -17.905 3.498 -12.720 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.218 2.414 -11.965 1.00 0.00 N ATOM 0 H LYS A 44 -15.865 8.112 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.645 7.580 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.689 7.066 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.124 5.905 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.962 4.453 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.918 5.701 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.677 5.599 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.291 4.858 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.977 3.452 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.767 3.339 -13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.451 1.494 -12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.189 2.562 -12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.533 2.428 -10.974 1.00 0.00 H new ATOM 658 N PHE A 45 -19.293 6.008 -7.840 1.00 0.00 N ATOM 659 CA PHE A 45 -19.717 5.150 -6.740 1.00 0.00 C ATOM 660 C PHE A 45 -19.714 3.683 -7.162 1.00 0.00 C ATOM 661 O PHE A 45 -20.307 3.316 -8.177 1.00 0.00 O ATOM 662 CB PHE A 45 -21.114 5.551 -6.260 1.00 0.00 C ATOM 663 CG PHE A 45 -21.105 6.671 -5.259 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.583 6.478 -3.990 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.618 7.915 -5.587 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.573 7.507 -3.066 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.610 8.947 -4.667 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.088 8.742 -3.405 1.00 0.00 C ATOM 0 H PHE A 45 -20.058 6.383 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 45 -19.009 5.276 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.714 5.848 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.601 4.682 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.180 5.513 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.029 8.081 -6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.163 7.344 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.012 9.913 -4.935 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.083 9.547 -2.685 1.00 0.00 H new ATOM 678 N THR A 46 -19.041 2.848 -6.377 1.00 0.00 N ATOM 679 CA THR A 46 -18.958 1.423 -6.669 1.00 0.00 C ATOM 680 C THR A 46 -20.318 0.750 -6.514 1.00 0.00 C ATOM 681 O THR A 46 -20.653 -0.172 -7.258 1.00 0.00 O ATOM 682 CB THR A 46 -17.943 0.719 -5.749 1.00 0.00 C ATOM 683 OG1 THR A 46 -17.518 -0.513 -6.342 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.549 0.447 -4.381 1.00 0.00 C ATOM 0 H THR A 46 -18.545 3.135 -5.533 1.00 0.00 H new ATOM 0 HA THR A 46 -18.625 1.331 -7.703 1.00 0.00 H new ATOM 0 HB THR A 46 -17.083 1.377 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.872 -0.954 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.813 -0.051 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.845 1.389 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.424 -0.193 -4.492 1.00 0.00 H new ATOM 692 N ASP A 47 -21.097 1.218 -5.545 1.00 0.00 N ATOM 693 CA ASP A 47 -22.422 0.662 -5.294 1.00 0.00 C ATOM 694 C ASP A 47 -23.084 0.226 -6.598 1.00 0.00 C ATOM 695 O ASP A 47 -23.632 -0.873 -6.690 1.00 0.00 O ATOM 696 CB ASP A 47 -23.302 1.689 -4.580 1.00 0.00 C ATOM 697 CG ASP A 47 -22.818 1.987 -3.174 1.00 0.00 C ATOM 698 OD1 ASP A 47 -22.377 1.043 -2.485 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.881 3.165 -2.763 1.00 0.00 O ATOM 0 H ASP A 47 -20.834 1.981 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 47 -22.307 -0.214 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.320 2.613 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.326 1.319 -4.538 1.00 0.00 H new ATOM 704 N TYR A 48 -23.030 1.093 -7.602 1.00 0.00 N ATOM 705 CA TYR A 48 -23.627 0.799 -8.899 1.00 0.00 C ATOM 706 C TYR A 48 -22.658 1.125 -10.031 1.00 0.00 C ATOM 707 O TYR A 48 -22.561 0.388 -11.012 1.00 0.00 O ATOM 708 CB TYR A 48 -24.923 1.591 -9.078 1.00 0.00 C ATOM 709 CG TYR A 48 -25.788 1.625 -7.839 1.00 0.00 C ATOM 710 CD1 TYR A 48 -26.716 0.622 -7.587 1.00 0.00 C ATOM 711 CD2 TYR A 48 -25.679 2.662 -6.920 1.00 0.00 C ATOM 712 CE1 TYR A 48 -27.509 0.649 -6.456 1.00 0.00 C ATOM 713 CE2 TYR A 48 -26.467 2.697 -5.786 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.380 1.689 -5.558 1.00 0.00 C ATOM 715 OH TYR A 48 -28.168 1.720 -4.430 1.00 0.00 O ATOM 0 H TYR A 48 -22.579 2.006 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.852 -0.267 -8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.677 2.613 -9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.494 1.156 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -26.819 -0.193 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -24.966 3.454 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.225 -0.139 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -26.369 3.510 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 48 -27.952 2.517 -3.902 1.00 0.00 H new ATOM 725 N GLY A 49 -21.941 2.235 -9.887 1.00 0.00 N ATOM 726 CA GLY A 49 -20.988 2.641 -10.904 1.00 0.00 C ATOM 727 C GLY A 49 -21.407 3.911 -11.618 1.00 0.00 C ATOM 728 O GLY A 49 -21.164 4.068 -12.813 1.00 0.00 O ATOM 0 H GLY A 49 -22.003 2.861 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.012 2.792 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.875 1.838 -11.633 1.00 0.00 H new ATOM 732 N ASN A 50 -22.039 4.820 -10.882 1.00 0.00 N ATOM 733 CA ASN A 50 -22.495 6.082 -11.453 1.00 0.00 C ATOM 734 C ASN A 50 -21.697 7.253 -10.889 1.00 0.00 C ATOM 735 O ASN A 50 -21.248 7.218 -9.743 1.00 0.00 O ATOM 736 CB ASN A 50 -23.985 6.284 -11.173 1.00 0.00 C ATOM 737 CG ASN A 50 -24.361 5.920 -9.750 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.959 4.872 -9.503 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.010 6.785 -8.806 1.00 0.00 N ATOM 0 H ASN A 50 -22.247 4.706 -9.890 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.337 6.043 -12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.249 7.325 -11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.568 5.677 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.235 6.594 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.515 7.641 -9.057 1.00 0.00 H new ATOM 746 N TYR A 51 -21.524 8.290 -11.702 1.00 0.00 N ATOM 747 CA TYR A 51 -20.778 9.472 -11.285 1.00 0.00 C ATOM 748 C TYR A 51 -21.665 10.421 -10.485 1.00 0.00 C ATOM 749 O TYR A 51 -22.866 10.522 -10.733 1.00 0.00 O ATOM 750 CB TYR A 51 -20.206 10.196 -12.504 1.00 0.00 C ATOM 751 CG TYR A 51 -19.362 9.311 -13.393 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.205 8.710 -12.912 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.722 9.075 -14.714 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.431 7.902 -13.721 1.00 0.00 C ATOM 755 CE2 TYR A 51 -18.954 8.266 -15.530 1.00 0.00 C ATOM 756 CZ TYR A 51 -17.809 7.682 -15.029 1.00 0.00 C ATOM 757 OH TYR A 51 -17.041 6.876 -15.838 1.00 0.00 O ATOM 0 H TYR A 51 -21.890 8.336 -12.653 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.957 9.146 -10.647 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.028 10.608 -13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.602 11.038 -12.166 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.906 8.878 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.617 9.531 -15.110 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.534 7.444 -13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.249 8.092 -16.554 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.447 6.824 -16.728 1.00 0.00 H new ATOM 767 N GLU A 52 -21.063 11.116 -9.525 1.00 0.00 N ATOM 768 CA GLU A 52 -21.798 12.057 -8.688 1.00 0.00 C ATOM 769 C GLU A 52 -20.909 13.227 -8.275 1.00 0.00 C ATOM 770 O GLU A 52 -19.756 13.037 -7.889 1.00 0.00 O ATOM 771 CB GLU A 52 -22.342 11.352 -7.444 1.00 0.00 C ATOM 772 CG GLU A 52 -23.680 10.668 -7.669 1.00 0.00 C ATOM 773 CD GLU A 52 -24.751 11.627 -8.150 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.782 12.776 -7.660 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.559 11.230 -9.015 1.00 0.00 O ATOM 0 H GLU A 52 -20.069 11.045 -9.308 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.633 12.445 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.616 10.611 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.446 12.081 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.557 9.870 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.006 10.201 -6.740 1.00 0.00 H new ATOM 782 N GLU A 53 -21.454 14.436 -8.361 1.00 0.00 N ATOM 783 CA GLU A 53 -20.710 15.637 -7.998 1.00 0.00 C ATOM 784 C GLU A 53 -20.701 15.834 -6.485 1.00 0.00 C ATOM 785 O GLU A 53 -21.713 16.206 -5.890 1.00 0.00 O ATOM 786 CB GLU A 53 -21.315 16.865 -8.680 1.00 0.00 C ATOM 787 CG GLU A 53 -20.464 18.117 -8.547 1.00 0.00 C ATOM 788 CD GLU A 53 -21.032 19.293 -9.316 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.627 19.067 -10.391 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.882 20.440 -8.845 1.00 0.00 O ATOM 0 H GLU A 53 -22.408 14.610 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.682 15.513 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.462 16.647 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.300 17.058 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.379 18.384 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.456 17.906 -8.905 1.00 0.00 H new ATOM 797 N VAL A 54 -19.551 15.581 -5.867 1.00 0.00 N ATOM 798 CA VAL A 54 -19.409 15.731 -4.424 1.00 0.00 C ATOM 799 C VAL A 54 -18.217 16.616 -4.078 1.00 0.00 C ATOM 800 O VAL A 54 -17.215 16.634 -4.794 1.00 0.00 O ATOM 801 CB VAL A 54 -19.239 14.366 -3.732 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.644 14.455 -2.268 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.049 13.299 -4.453 1.00 0.00 C ATOM 0 H VAL A 54 -18.704 15.271 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.324 16.201 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.187 14.084 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.517 13.481 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.017 15.189 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.688 14.759 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.917 12.341 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.104 13.573 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.707 13.218 -5.485 1.00 0.00 H new ATOM 813 N LEU A 55 -18.332 17.350 -2.977 1.00 0.00 N ATOM 814 CA LEU A 55 -17.263 18.238 -2.534 1.00 0.00 C ATOM 815 C LEU A 55 -16.050 17.440 -2.067 1.00 0.00 C ATOM 816 O LEU A 55 -16.182 16.313 -1.587 1.00 0.00 O ATOM 817 CB LEU A 55 -17.759 19.142 -1.404 1.00 0.00 C ATOM 818 CG LEU A 55 -18.372 20.476 -1.832 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.380 20.955 -0.799 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.286 21.520 -2.044 1.00 0.00 C ATOM 0 H LEU A 55 -19.155 17.348 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.964 18.856 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.502 18.593 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.923 19.347 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.893 20.327 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.806 21.906 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.175 20.217 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.882 21.087 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.742 22.462 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.736 21.666 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.602 21.180 -2.821 1.00 0.00 H new ATOM 832 N LEU A 56 -14.869 18.031 -2.207 1.00 0.00 N ATOM 833 CA LEU A 56 -13.632 17.376 -1.797 1.00 0.00 C ATOM 834 C LEU A 56 -13.542 17.284 -0.277 1.00 0.00 C ATOM 835 O LEU A 56 -12.884 16.395 0.263 1.00 0.00 O ATOM 836 CB LEU A 56 -12.423 18.137 -2.345 1.00 0.00 C ATOM 837 CG LEU A 56 -12.256 18.126 -3.865 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.168 19.101 -4.289 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.938 16.722 -4.356 1.00 0.00 C ATOM 0 H LEU A 56 -14.742 18.963 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.633 16.365 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.491 19.173 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.522 17.718 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.196 18.443 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.063 19.080 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.437 20.108 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.223 18.815 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.823 16.733 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.012 16.377 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.751 16.049 -4.085 1.00 0.00 H new ATOM 851 N SER A 57 -14.210 18.207 0.407 1.00 0.00 N ATOM 852 CA SER A 57 -14.205 18.231 1.865 1.00 0.00 C ATOM 853 C SER A 57 -15.109 17.139 2.430 1.00 0.00 C ATOM 854 O SER A 57 -15.179 16.942 3.642 1.00 0.00 O ATOM 855 CB SER A 57 -14.660 19.600 2.376 1.00 0.00 C ATOM 856 OG SER A 57 -13.743 20.614 2.003 1.00 0.00 O ATOM 0 H SER A 57 -14.762 18.948 -0.025 1.00 0.00 H new ATOM 0 HA SER A 57 -13.185 18.045 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.647 19.832 1.975 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.756 19.573 3.461 1.00 0.00 H new ATOM 0 HG SER A 57 -14.057 21.479 2.340 1.00 0.00 H new ATOM 862 N ASN A 58 -15.799 16.432 1.540 1.00 0.00 N ATOM 863 CA ASN A 58 -16.699 15.360 1.948 1.00 0.00 C ATOM 864 C ASN A 58 -16.189 14.007 1.463 1.00 0.00 C ATOM 865 O ASN A 58 -16.968 13.074 1.262 1.00 0.00 O ATOM 866 CB ASN A 58 -18.106 15.612 1.404 1.00 0.00 C ATOM 867 CG ASN A 58 -18.700 16.910 1.916 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.142 17.553 2.805 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.839 17.302 1.355 1.00 0.00 N ATOM 0 H ASN A 58 -15.752 16.583 0.532 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.735 15.345 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.073 15.636 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.755 14.783 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.286 18.167 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.267 16.738 0.621 1.00 0.00 H new ATOM 876 N ILE A 59 -14.877 13.908 1.276 1.00 0.00 N ATOM 877 CA ILE A 59 -14.263 12.668 0.815 1.00 0.00 C ATOM 878 C ILE A 59 -13.188 12.194 1.786 1.00 0.00 C ATOM 879 O ILE A 59 -12.466 13.000 2.374 1.00 0.00 O ATOM 880 CB ILE A 59 -13.639 12.835 -0.583 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.492 13.776 -1.437 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.492 11.481 -1.262 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.151 13.730 -2.910 1.00 0.00 C ATOM 0 H ILE A 59 -14.219 14.671 1.436 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.057 11.923 0.763 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.647 13.274 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.543 13.519 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.367 14.796 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.050 11.615 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.848 10.840 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.473 11.017 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.794 14.421 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.109 14.016 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.304 12.719 -3.287 1.00 0.00 H new ATOM 895 N LYS A 60 -13.084 10.879 1.949 1.00 0.00 N ATOM 896 CA LYS A 60 -12.094 10.295 2.847 1.00 0.00 C ATOM 897 C LYS A 60 -11.220 9.286 2.109 1.00 0.00 C ATOM 898 O LYS A 60 -11.685 8.535 1.252 1.00 0.00 O ATOM 899 CB LYS A 60 -12.787 9.617 4.031 1.00 0.00 C ATOM 900 CG LYS A 60 -14.006 10.369 4.535 1.00 0.00 C ATOM 901 CD LYS A 60 -13.617 11.680 5.199 1.00 0.00 C ATOM 902 CE LYS A 60 -14.709 12.727 5.047 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.716 13.690 6.183 1.00 0.00 N ATOM 0 H LYS A 60 -13.673 10.197 1.471 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.457 11.098 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.087 8.611 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.073 9.512 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.682 10.568 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.550 9.747 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.420 11.509 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.692 12.051 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.565 13.269 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.679 12.234 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.474 14.388 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.879 13.176 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.800 14.180 6.229 1.00 0.00 H new ATOM 917 N PRO A 61 -9.923 9.264 2.450 1.00 0.00 N ATOM 918 CA PRO A 61 -8.957 8.350 1.833 1.00 0.00 C ATOM 919 C PRO A 61 -9.189 6.899 2.243 1.00 0.00 C ATOM 920 O PRO A 61 -9.317 6.591 3.428 1.00 0.00 O ATOM 921 CB PRO A 61 -7.610 8.846 2.364 1.00 0.00 C ATOM 922 CG PRO A 61 -7.936 9.524 3.650 1.00 0.00 C ATOM 923 CD PRO A 61 -9.299 10.131 3.464 1.00 0.00 C ATOM 0 HA PRO A 61 -9.030 8.354 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.916 8.019 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.137 9.534 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.935 8.814 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.197 10.289 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.867 10.135 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.236 11.165 3.125 1.00 0.00 H new ATOM 931 N VAL A 62 -9.242 6.012 1.254 1.00 0.00 N ATOM 932 CA VAL A 62 -9.457 4.593 1.512 1.00 0.00 C ATOM 933 C VAL A 62 -8.164 3.910 1.944 1.00 0.00 C ATOM 934 O VAL A 62 -7.116 4.101 1.328 1.00 0.00 O ATOM 935 CB VAL A 62 -10.014 3.875 0.269 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.221 2.395 0.554 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.312 4.525 -0.185 1.00 0.00 C ATOM 0 H VAL A 62 -9.139 6.251 0.268 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.187 4.525 2.319 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.287 3.967 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.615 1.905 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.269 1.940 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.928 2.278 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.691 4.005 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.048 4.467 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.128 5.570 -0.433 1.00 0.00 H new