USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 698 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 44 GLN : amide:sc= 1.52 K(o=2.3,f=-4.1) USER MOD Set 1.2: B 64 HIS : no HD1:sc= 0.748 K(o=2.3,f=-8.2!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= 0.843 K(o=2.4,f=-8.3!) USER MOD Set 2.2: B 44 GLN : amide:sc= 1.52 K(o=2.4,f=-3.9) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 41 TYR OH : rot -17:sc= 2.27 USER MOD Single : A 43 MET CE :methyl 172:sc= -0.745 (180deg=-0.886) USER MOD Single : A 46 MET CE :methyl -155:sc= -1.78 (180deg=-3.15!) USER MOD Single : A 47 ASN : amide:sc=-0.000608 X(o=-0.00061,f=-0.43) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.097 (180deg=-0.431) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.022 (180deg=-0.202) USER MOD Single : A 52 MET CE :methyl 175:sc= -5.53! (180deg=-5.86!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -40:sc= 0.186 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 106:sc= 1.35 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.278 USER MOD Single : B 41 TYR OH : rot -18:sc= 2.35 USER MOD Single : B 43 MET CE :methyl 171:sc= -0.767 (180deg=-0.906) USER MOD Single : B 46 MET CE :methyl -156:sc= -1.59 (180deg=-2.93!) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= -0.0577 (180deg=-0.414) USER MOD Single : B 50 LYS NZ :NH3+ -166:sc= -0.026 (180deg=-0.202) USER MOD Single : B 52 MET CE :methyl 178:sc= -5.62! (180deg=-5.87!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot -27:sc= 0.275 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 111:sc= 1.35 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 13.012 -6.186 -4.189 1.00 0.97 N ATOM 131 CA THR A 38 14.424 -5.934 -4.423 1.00 0.83 C ATOM 132 C THR A 38 14.894 -4.749 -3.585 1.00 0.72 C ATOM 133 O THR A 38 14.062 -3.982 -3.096 1.00 0.65 O ATOM 134 CB THR A 38 14.698 -5.652 -5.915 1.00 0.79 C ATOM 135 OG1 THR A 38 13.855 -4.586 -6.373 1.00 0.85 O ATOM 136 CG2 THR A 38 14.455 -6.896 -6.757 1.00 0.95 C ATOM 0 HA THR A 38 14.976 -6.827 -4.131 1.00 0.83 H new ATOM 0 HB THR A 38 15.743 -5.362 -6.022 1.00 0.79 H new ATOM 0 HG1 THR A 38 14.035 -4.411 -7.320 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.655 -6.671 -7.805 1.00 0.95 H new ATOM 0 HG22 THR A 38 15.117 -7.695 -6.425 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.418 -7.214 -6.646 1.00 0.95 H new ATOM 144 N PRO A 39 16.210 -4.590 -3.368 1.00 0.74 N ATOM 145 CA PRO A 39 16.744 -3.435 -2.642 1.00 0.70 C ATOM 146 C PRO A 39 16.235 -2.113 -3.205 1.00 0.62 C ATOM 147 O PRO A 39 15.732 -1.275 -2.463 1.00 0.56 O ATOM 148 CB PRO A 39 18.249 -3.549 -2.837 1.00 0.78 C ATOM 149 CG PRO A 39 18.494 -5.002 -3.060 1.00 0.87 C ATOM 150 CD PRO A 39 17.277 -5.524 -3.776 1.00 0.83 C ATOM 0 HA PRO A 39 16.438 -3.439 -1.596 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.584 -2.956 -3.688 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.790 -3.186 -1.963 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.394 -5.159 -3.655 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.643 -5.522 -2.114 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.417 -5.526 -4.857 1.00 0.83 H new ATOM 0 HD3 PRO A 39 17.047 -6.548 -3.483 1.00 0.83 H new ATOM 158 N ASP A 40 16.345 -1.943 -4.522 1.00 0.66 N ATOM 159 CA ASP A 40 15.875 -0.725 -5.183 1.00 0.64 C ATOM 160 C ASP A 40 14.392 -0.499 -4.908 1.00 0.58 C ATOM 161 O ASP A 40 13.963 0.623 -4.634 1.00 0.58 O ATOM 162 CB ASP A 40 16.119 -0.797 -6.690 1.00 0.72 C ATOM 163 CG ASP A 40 15.558 0.407 -7.421 1.00 1.44 C ATOM 164 OD1 ASP A 40 14.486 0.279 -8.040 1.00 2.22 O ATOM 165 OD2 ASP A 40 16.182 1.488 -7.373 1.00 2.15 O ATOM 0 H ASP A 40 16.755 -2.632 -5.152 1.00 0.66 H new ATOM 0 HA ASP A 40 16.439 0.114 -4.777 1.00 0.64 H new ATOM 0 HB2 ASP A 40 17.190 -0.868 -6.880 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.664 -1.705 -7.087 1.00 0.72 H new ATOM 170 N TYR A 41 13.624 -1.582 -4.949 1.00 0.57 N ATOM 171 CA TYR A 41 12.201 -1.537 -4.641 1.00 0.54 C ATOM 172 C TYR A 41 11.991 -1.004 -3.227 1.00 0.46 C ATOM 173 O TYR A 41 11.046 -0.261 -2.957 1.00 0.43 O ATOM 174 CB TYR A 41 11.610 -2.946 -4.767 1.00 0.61 C ATOM 175 CG TYR A 41 10.107 -3.024 -4.610 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.510 -3.018 -3.352 1.00 0.64 C ATOM 177 CD2 TYR A 41 9.286 -3.121 -5.723 1.00 0.83 C ATOM 178 CE1 TYR A 41 8.138 -3.105 -3.215 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.916 -3.206 -5.590 1.00 0.88 C ATOM 180 CZ TYR A 41 7.352 -3.200 -4.334 1.00 0.73 C ATOM 181 OH TYR A 41 5.992 -3.286 -4.194 1.00 0.81 O ATOM 0 H TYR A 41 13.968 -2.510 -5.195 1.00 0.57 H new ATOM 0 HA TYR A 41 11.698 -0.871 -5.343 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.880 -3.351 -5.742 1.00 0.61 H new ATOM 0 HB3 TYR A 41 12.073 -3.587 -4.016 1.00 0.61 H new ATOM 0 HD1 TYR A 41 10.129 -2.944 -2.470 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.726 -3.130 -6.709 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.688 -3.098 -2.233 1.00 0.69 H new ATOM 0 HE2 TYR A 41 7.289 -3.277 -6.466 1.00 0.88 H new ATOM 0 HH TYR A 41 5.773 -3.538 -3.272 1.00 0.81 H new ATOM 191 N LEU A 42 12.904 -1.371 -2.339 1.00 0.44 N ATOM 192 CA LEU A 42 12.817 -0.983 -0.942 1.00 0.39 C ATOM 193 C LEU A 42 13.305 0.447 -0.749 1.00 0.37 C ATOM 194 O LEU A 42 12.843 1.146 0.149 1.00 0.34 O ATOM 195 CB LEU A 42 13.640 -1.942 -0.076 1.00 0.43 C ATOM 196 CG LEU A 42 13.720 -1.586 1.412 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.339 -1.586 2.042 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.641 -2.548 2.145 1.00 0.48 C ATOM 0 H LEU A 42 13.719 -1.941 -2.566 1.00 0.44 H new ATOM 0 HA LEU A 42 11.772 -1.035 -0.635 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.217 -2.942 -0.170 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.653 -1.986 -0.476 1.00 0.43 H new ATOM 0 HG LEU A 42 14.134 -0.581 1.498 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.421 -1.331 3.098 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.710 -0.852 1.539 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.893 -2.576 1.942 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.684 -2.278 3.200 1.00 0.48 H new ATOM 0 HD22 LEU A 42 14.259 -3.564 2.046 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.641 -2.493 1.715 1.00 0.48 H new ATOM 210 N MET A 43 14.203 0.900 -1.617 1.00 0.40 N ATOM 211 CA MET A 43 14.805 2.214 -1.457 1.00 0.40 C ATOM 212 C MET A 43 13.787 3.274 -1.826 1.00 0.37 C ATOM 213 O MET A 43 13.691 4.318 -1.180 1.00 0.36 O ATOM 214 CB MET A 43 16.055 2.369 -2.332 1.00 0.47 C ATOM 215 CG MET A 43 17.170 1.372 -2.040 1.00 0.63 C ATOM 216 SD MET A 43 17.698 1.364 -0.314 1.00 0.85 S ATOM 217 CE MET A 43 16.845 -0.090 0.300 1.00 0.55 C ATOM 0 H MET A 43 14.527 0.379 -2.432 1.00 0.40 H new ATOM 0 HA MET A 43 15.110 2.330 -0.417 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.763 2.270 -3.378 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.447 3.378 -2.205 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.833 0.372 -2.313 1.00 0.63 H new ATOM 0 HG3 MET A 43 18.027 1.603 -2.672 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.182 -0.309 1.313 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.771 0.094 0.307 1.00 0.55 H new ATOM 0 HE3 MET A 43 17.063 -0.940 -0.347 1.00 0.55 H new ATOM 227 N GLN A 44 13.012 2.975 -2.860 1.00 0.36 N ATOM 228 CA GLN A 44 11.927 3.848 -3.281 1.00 0.35 C ATOM 229 C GLN A 44 10.898 3.955 -2.163 1.00 0.30 C ATOM 230 O GLN A 44 10.391 5.036 -1.864 1.00 0.30 O ATOM 231 CB GLN A 44 11.264 3.306 -4.547 1.00 0.42 C ATOM 232 CG GLN A 44 12.204 3.180 -5.734 1.00 0.52 C ATOM 233 CD GLN A 44 11.519 2.592 -6.950 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.316 2.767 -7.143 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.267 1.877 -7.769 1.00 0.75 N ATOM 0 H GLN A 44 13.116 2.131 -3.424 1.00 0.36 H new ATOM 0 HA GLN A 44 12.333 4.836 -3.499 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.837 2.327 -4.330 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.437 3.961 -4.820 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.603 4.163 -5.984 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.052 2.553 -5.458 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.261 1.754 -7.576 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.851 1.447 -8.595 1.00 0.75 H new ATOM 244 N LEU A 45 10.611 2.818 -1.536 1.00 0.27 N ATOM 245 CA LEU A 45 9.657 2.755 -0.438 1.00 0.25 C ATOM 246 C LEU A 45 10.098 3.587 0.754 1.00 0.23 C ATOM 247 O LEU A 45 9.267 4.189 1.437 1.00 0.23 O ATOM 248 CB LEU A 45 9.461 1.310 0.009 1.00 0.29 C ATOM 249 CG LEU A 45 8.380 0.536 -0.733 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.352 -0.909 -0.265 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.029 1.191 -0.506 1.00 0.31 C ATOM 0 H LEU A 45 11.032 1.920 -1.774 1.00 0.27 H new ATOM 0 HA LEU A 45 8.718 3.165 -0.810 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.407 0.781 -0.107 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.221 1.306 1.072 1.00 0.29 H new ATOM 0 HG LEU A 45 8.604 0.549 -1.800 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.575 -1.451 -0.804 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.319 -1.373 -0.459 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.142 -0.941 0.804 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.260 0.633 -1.039 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.801 1.195 0.560 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.055 2.216 -0.875 1.00 0.31 H new ATOM 263 N MET A 46 11.403 3.632 0.999 1.00 0.26 N ATOM 264 CA MET A 46 11.924 4.333 2.162 1.00 0.28 C ATOM 265 C MET A 46 11.627 5.814 2.064 1.00 0.27 C ATOM 266 O MET A 46 11.450 6.487 3.081 1.00 0.41 O ATOM 267 CB MET A 46 13.431 4.146 2.309 1.00 0.33 C ATOM 268 CG MET A 46 13.869 2.711 2.519 1.00 0.39 C ATOM 269 SD MET A 46 15.607 2.592 2.988 1.00 0.49 S ATOM 270 CE MET A 46 16.353 3.698 1.790 1.00 0.49 C ATOM 0 H MET A 46 12.113 3.194 0.412 1.00 0.26 H new ATOM 0 HA MET A 46 11.431 3.908 3.036 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.921 4.535 1.417 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.778 4.745 3.151 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.253 2.254 3.294 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.702 2.144 1.603 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.395 3.419 1.637 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.815 3.627 0.845 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.303 4.722 2.160 1.00 0.49 H new ATOM 280 N ASN A 47 11.550 6.327 0.845 1.00 0.24 N ATOM 281 CA ASN A 47 11.338 7.745 0.638 1.00 0.30 C ATOM 282 C ASN A 47 9.845 8.054 0.618 1.00 0.26 C ATOM 283 O ASN A 47 9.428 9.150 0.988 1.00 0.27 O ATOM 284 CB ASN A 47 12.001 8.178 -0.673 1.00 0.42 C ATOM 285 CG ASN A 47 11.910 9.671 -0.922 1.00 0.80 C ATOM 286 OD1 ASN A 47 10.988 10.150 -1.578 1.00 1.61 O ATOM 287 ND2 ASN A 47 12.875 10.416 -0.407 1.00 1.42 N ATOM 0 H ASN A 47 11.631 5.780 -0.012 1.00 0.24 H new ATOM 0 HA ASN A 47 11.790 8.303 1.458 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.050 7.882 -0.658 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.532 7.648 -1.502 1.00 0.42 H new ATOM 0 HD21 ASN A 47 12.870 11.426 -0.549 1.00 1.42 H new ATOM 0 HD22 ASN A 47 13.623 9.980 0.132 1.00 1.42 H new ATOM 294 N ASP A 48 9.036 7.062 0.240 1.00 0.24 N ATOM 295 CA ASP A 48 7.583 7.230 0.190 1.00 0.24 C ATOM 296 C ASP A 48 7.028 7.331 1.604 1.00 0.25 C ATOM 297 O ASP A 48 6.231 8.216 1.919 1.00 0.30 O ATOM 298 CB ASP A 48 6.908 6.049 -0.524 1.00 0.25 C ATOM 299 CG ASP A 48 6.947 6.131 -2.040 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.152 7.233 -2.587 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.742 5.090 -2.699 1.00 0.74 O ATOM 0 H ASP A 48 9.362 6.136 -0.035 1.00 0.24 H new ATOM 0 HA ASP A 48 7.372 8.143 -0.367 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.392 5.124 -0.209 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.868 5.991 -0.201 1.00 0.25 H new ATOM 306 N LYS A 49 7.474 6.413 2.456 1.00 0.22 N ATOM 307 CA LYS A 49 7.085 6.396 3.861 1.00 0.27 C ATOM 308 C LYS A 49 7.572 7.666 4.551 1.00 0.32 C ATOM 309 O LYS A 49 6.951 8.160 5.492 1.00 0.44 O ATOM 310 CB LYS A 49 7.673 5.161 4.556 1.00 0.31 C ATOM 311 CG LYS A 49 6.769 4.555 5.625 1.00 0.59 C ATOM 312 CD LYS A 49 6.530 5.509 6.785 1.00 0.92 C ATOM 313 CE LYS A 49 7.766 5.669 7.659 1.00 1.45 C ATOM 314 NZ LYS A 49 8.191 4.381 8.267 1.00 2.10 N ATOM 0 H LYS A 49 8.113 5.663 2.193 1.00 0.22 H new ATOM 0 HA LYS A 49 5.998 6.352 3.926 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.886 4.402 3.804 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.624 5.434 5.013 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.813 4.283 5.178 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.219 3.636 6.000 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.232 6.483 6.397 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.703 5.141 7.392 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.582 6.074 7.061 1.00 1.45 H new ATOM 0 HE3 LYS A 49 7.560 6.392 8.449 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.795 4.569 9.092 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.352 3.845 8.567 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.724 3.826 7.567 1.00 2.10 H new ATOM 328 N LYS A 50 8.654 8.228 4.036 1.00 0.30 N ATOM 329 CA LYS A 50 9.256 9.404 4.639 1.00 0.37 C ATOM 330 C LYS A 50 8.447 10.621 4.214 1.00 0.39 C ATOM 331 O LYS A 50 8.129 11.487 5.025 1.00 0.43 O ATOM 332 CB LYS A 50 10.727 9.537 4.207 1.00 0.42 C ATOM 333 CG LYS A 50 11.553 10.519 5.038 1.00 1.14 C ATOM 334 CD LYS A 50 11.281 11.977 4.676 1.00 1.67 C ATOM 335 CE LYS A 50 11.800 12.332 3.287 1.00 2.35 C ATOM 336 NZ LYS A 50 13.282 12.245 3.205 1.00 3.05 N ATOM 0 H LYS A 50 9.133 7.888 3.202 1.00 0.30 H new ATOM 0 HA LYS A 50 9.245 9.319 5.726 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.196 8.555 4.259 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.758 9.850 3.163 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.336 10.365 6.095 1.00 1.14 H new ATOM 0 HG3 LYS A 50 12.613 10.306 4.896 1.00 1.14 H new ATOM 0 HD2 LYS A 50 10.209 12.167 4.721 1.00 1.67 H new ATOM 0 HD3 LYS A 50 11.751 12.627 5.415 1.00 1.67 H new ATOM 0 HE2 LYS A 50 11.357 11.660 2.552 1.00 2.35 H new ATOM 0 HE3 LYS A 50 11.482 13.342 3.029 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 13.607 12.684 2.320 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.704 12.743 4.014 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 13.573 11.247 3.223 1.00 3.05 H new ATOM 350 N LEU A 51 8.101 10.658 2.932 1.00 0.38 N ATOM 351 CA LEU A 51 7.269 11.716 2.386 1.00 0.44 C ATOM 352 C LEU A 51 5.916 11.780 3.077 1.00 0.42 C ATOM 353 O LEU A 51 5.456 12.868 3.414 1.00 0.47 O ATOM 354 CB LEU A 51 7.101 11.539 0.879 1.00 0.48 C ATOM 355 CG LEU A 51 8.191 12.205 0.037 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.249 11.596 -1.351 1.00 1.10 C ATOM 357 CD2 LEU A 51 7.936 13.701 -0.059 1.00 1.22 C ATOM 0 H LEU A 51 8.389 9.958 2.248 1.00 0.38 H new ATOM 0 HA LEU A 51 7.774 12.664 2.571 1.00 0.44 H new ATOM 0 HB2 LEU A 51 7.083 10.473 0.651 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.133 11.944 0.584 1.00 0.48 H new ATOM 0 HG LEU A 51 9.151 12.037 0.525 1.00 0.70 H new ATOM 0 HD11 LEU A 51 9.031 12.086 -1.931 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.468 10.531 -1.272 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.289 11.733 -1.849 1.00 1.10 H new ATOM 0 HD21 LEU A 51 8.718 14.165 -0.660 1.00 1.22 H new ATOM 0 HD22 LEU A 51 6.967 13.876 -0.526 1.00 1.22 H new ATOM 0 HD23 LEU A 51 7.941 14.136 0.941 1.00 1.22 H new ATOM 369 N MET A 52 5.282 10.633 3.323 1.00 0.39 N ATOM 370 CA MET A 52 4.002 10.624 4.020 1.00 0.37 C ATOM 371 C MET A 52 4.171 11.069 5.469 1.00 0.41 C ATOM 372 O MET A 52 3.324 11.769 6.016 1.00 0.47 O ATOM 373 CB MET A 52 3.357 9.233 3.965 1.00 0.33 C ATOM 374 CG MET A 52 2.767 8.885 2.618 1.00 1.29 C ATOM 375 SD MET A 52 1.929 7.292 2.617 1.00 1.25 S ATOM 376 CE MET A 52 3.299 6.184 2.925 1.00 0.31 C ATOM 0 H MET A 52 5.630 9.713 3.054 1.00 0.39 H new ATOM 0 HA MET A 52 3.343 11.330 3.515 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.106 8.485 4.227 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.573 9.177 4.720 1.00 0.33 H new ATOM 0 HG2 MET A 52 2.062 9.662 2.323 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.560 8.874 1.870 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.925 5.167 3.041 1.00 0.31 H new ATOM 0 HE2 MET A 52 3.994 6.222 2.086 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.814 6.487 3.836 1.00 0.31 H new ATOM 386 N SER A 53 5.291 10.696 6.073 1.00 0.40 N ATOM 387 CA SER A 53 5.560 11.035 7.463 1.00 0.47 C ATOM 388 C SER A 53 5.929 12.515 7.592 1.00 0.50 C ATOM 389 O SER A 53 5.870 13.093 8.680 1.00 0.62 O ATOM 390 CB SER A 53 6.687 10.148 8.007 1.00 0.52 C ATOM 391 OG SER A 53 6.929 10.389 9.385 1.00 1.15 O ATOM 0 H SER A 53 6.029 10.157 5.620 1.00 0.40 H new ATOM 0 HA SER A 53 4.659 10.858 8.050 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.427 9.100 7.862 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.600 10.331 7.440 1.00 0.52 H new ATOM 0 HG SER A 53 7.652 9.805 9.697 1.00 1.15 H new ATOM 397 N SER A 54 6.293 13.124 6.470 1.00 0.49 N ATOM 398 CA SER A 54 6.684 14.525 6.440 1.00 0.53 C ATOM 399 C SER A 54 5.465 15.412 6.188 1.00 0.53 C ATOM 400 O SER A 54 5.554 16.639 6.228 1.00 0.53 O ATOM 401 CB SER A 54 7.741 14.742 5.348 1.00 0.60 C ATOM 402 OG SER A 54 8.277 16.054 5.390 1.00 1.30 O ATOM 0 H SER A 54 6.325 12.662 5.561 1.00 0.49 H new ATOM 0 HA SER A 54 7.110 14.797 7.406 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.545 14.016 5.471 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.296 14.562 4.370 1.00 0.60 H new ATOM 0 HG SER A 54 7.560 16.695 5.579 1.00 1.30 H new ATOM 408 N LEU A 55 4.328 14.779 5.936 1.00 0.54 N ATOM 409 CA LEU A 55 3.100 15.503 5.643 1.00 0.57 C ATOM 410 C LEU A 55 2.213 15.599 6.882 1.00 0.65 C ATOM 411 O LEU A 55 1.736 14.583 7.385 1.00 0.65 O ATOM 412 CB LEU A 55 2.327 14.815 4.514 1.00 0.51 C ATOM 413 CG LEU A 55 3.069 14.699 3.180 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.229 13.932 2.172 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.424 16.074 2.640 1.00 0.64 C ATOM 0 H LEU A 55 4.231 13.764 5.929 1.00 0.54 H new ATOM 0 HA LEU A 55 3.376 16.510 5.329 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.051 13.814 4.844 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.399 15.362 4.347 1.00 0.51 H new ATOM 0 HG LEU A 55 3.995 14.150 3.350 1.00 0.53 H new ATOM 0 HD11 LEU A 55 2.770 13.858 1.229 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.026 12.931 2.554 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.287 14.456 2.010 1.00 0.56 H new ATOM 0 HD21 LEU A 55 3.951 15.968 1.692 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.512 16.651 2.486 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.064 16.591 3.354 1.00 0.64 H new ATOM 427 N PRO A 56 1.971 16.823 7.384 1.00 0.81 N ATOM 428 CA PRO A 56 1.048 17.058 8.506 1.00 0.94 C ATOM 429 C PRO A 56 -0.399 16.796 8.101 1.00 0.88 C ATOM 430 O PRO A 56 -1.315 16.820 8.923 1.00 1.19 O ATOM 431 CB PRO A 56 1.238 18.545 8.843 1.00 1.14 C ATOM 432 CG PRO A 56 2.476 18.966 8.123 1.00 1.26 C ATOM 433 CD PRO A 56 2.586 18.074 6.920 1.00 0.98 C ATOM 0 HA PRO A 56 1.254 16.396 9.347 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.378 19.133 8.521 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.340 18.693 9.918 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.417 20.013 7.827 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.352 18.865 8.764 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.060 18.488 6.060 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.623 17.927 6.619 1.00 0.98 H new ATOM 441 N ASN A 57 -0.583 16.559 6.812 1.00 0.63 N ATOM 442 CA ASN A 57 -1.893 16.256 6.256 1.00 0.62 C ATOM 443 C ASN A 57 -2.130 14.753 6.266 1.00 0.57 C ATOM 444 O ASN A 57 -3.251 14.284 6.056 1.00 0.59 O ATOM 445 CB ASN A 57 -2.011 16.786 4.820 1.00 0.68 C ATOM 446 CG ASN A 57 -1.903 18.298 4.735 1.00 1.32 C ATOM 447 OD1 ASN A 57 -2.898 19.011 4.861 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.701 18.798 4.490 1.00 1.73 N ATOM 0 H ASN A 57 0.169 16.571 6.123 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.646 16.746 6.873 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.230 16.336 4.207 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.966 16.471 4.400 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.577 19.806 4.400 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.100 18.175 4.392 1.00 1.73 H new ATOM 455 N PHE A 58 -1.071 13.995 6.536 1.00 0.62 N ATOM 456 CA PHE A 58 -1.131 12.544 6.454 1.00 0.70 C ATOM 457 C PHE A 58 -1.717 11.957 7.724 1.00 0.90 C ATOM 458 O PHE A 58 -1.013 11.449 8.593 1.00 1.77 O ATOM 459 CB PHE A 58 0.248 11.971 6.211 1.00 0.69 C ATOM 460 CG PHE A 58 0.253 10.497 5.932 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.437 9.981 4.848 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.956 9.628 6.749 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.424 8.627 4.587 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.970 8.274 6.493 1.00 1.15 C ATOM 465 CZ PHE A 58 0.281 7.774 5.409 1.00 0.69 C ATOM 0 H PHE A 58 -0.162 14.364 6.813 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.778 12.279 5.617 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.704 12.492 5.369 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.871 12.168 7.083 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.991 10.645 4.201 1.00 0.89 H new ATOM 0 HD2 PHE A 58 1.500 10.016 7.597 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.966 8.235 3.739 1.00 0.90 H new ATOM 0 HE2 PHE A 58 1.519 7.606 7.140 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.293 6.714 5.204 1.00 0.69 H new ATOM 475 N SER A 59 -3.012 12.061 7.801 1.00 0.91 N ATOM 476 CA SER A 59 -3.796 11.526 8.900 1.00 1.02 C ATOM 477 C SER A 59 -5.270 11.579 8.524 1.00 1.10 C ATOM 478 O SER A 59 -6.035 10.653 8.798 1.00 1.84 O ATOM 479 CB SER A 59 -3.529 12.317 10.187 1.00 1.21 C ATOM 480 OG SER A 59 -3.542 13.716 9.944 1.00 1.84 O ATOM 0 H SER A 59 -3.574 12.529 7.090 1.00 0.91 H new ATOM 0 HA SER A 59 -3.509 10.491 9.086 1.00 1.02 H new ATOM 0 HB2 SER A 59 -4.284 12.068 10.933 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.564 12.027 10.601 1.00 1.21 H new ATOM 0 HG SER A 59 -3.371 14.195 10.782 1.00 1.84 H new ATOM 486 N GLY A 60 -5.648 12.665 7.866 1.00 0.91 N ATOM 487 CA GLY A 60 -6.996 12.794 7.367 1.00 0.87 C ATOM 488 C GLY A 60 -7.109 12.368 5.916 1.00 0.66 C ATOM 489 O GLY A 60 -8.160 11.897 5.485 1.00 0.73 O ATOM 0 H GLY A 60 -5.041 13.461 7.670 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.667 12.188 7.976 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.322 13.829 7.467 1.00 0.87 H new ATOM 493 N ILE A 61 -6.023 12.522 5.159 1.00 0.50 N ATOM 494 CA ILE A 61 -6.053 12.229 3.729 1.00 0.54 C ATOM 495 C ILE A 61 -6.126 10.733 3.424 1.00 0.73 C ATOM 496 O ILE A 61 -6.980 10.320 2.653 1.00 1.81 O ATOM 497 CB ILE A 61 -4.871 12.872 2.958 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.523 12.506 3.592 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.043 14.382 2.896 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.336 13.194 2.949 1.00 0.78 C ATOM 0 H ILE A 61 -5.121 12.845 5.509 1.00 0.50 H new ATOM 0 HA ILE A 61 -6.977 12.686 3.374 1.00 0.54 H new ATOM 0 HB ILE A 61 -4.875 12.476 1.943 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.549 12.762 4.651 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.384 11.427 3.528 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.207 14.821 2.352 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -5.975 14.621 2.384 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.071 14.787 3.908 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.420 12.885 3.452 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.282 12.919 1.896 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.451 14.274 3.036 1.00 0.78 H new ATOM 512 N PHE A 62 -5.269 9.898 4.013 1.00 0.58 N ATOM 513 CA PHE A 62 -5.258 8.480 3.650 1.00 0.50 C ATOM 514 C PHE A 62 -5.294 7.611 4.900 1.00 0.51 C ATOM 515 O PHE A 62 -4.534 7.836 5.842 1.00 0.76 O ATOM 516 CB PHE A 62 -4.002 8.134 2.848 1.00 0.50 C ATOM 517 CG PHE A 62 -3.666 9.120 1.772 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.587 9.456 0.794 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.418 9.711 1.740 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.267 10.363 -0.191 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.094 10.617 0.759 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.019 10.944 -0.209 1.00 0.59 C ATOM 0 H PHE A 62 -4.590 10.168 4.725 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.141 8.288 3.041 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.157 8.059 3.533 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.133 7.151 2.396 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.567 9.002 0.804 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.688 9.458 2.495 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.994 10.618 -0.948 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.115 11.073 0.747 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.765 11.655 -0.981 1.00 0.59 H new ATOM 532 N THR A 63 -6.183 6.629 4.906 1.00 0.34 N ATOM 533 CA THR A 63 -6.332 5.743 6.051 1.00 0.38 C ATOM 534 C THR A 63 -5.463 4.482 5.930 1.00 0.30 C ATOM 535 O THR A 63 -4.687 4.167 6.827 1.00 0.38 O ATOM 536 CB THR A 63 -7.808 5.342 6.237 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.627 6.521 6.267 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.003 4.558 7.529 1.00 0.66 C ATOM 0 H THR A 63 -6.813 6.425 4.130 1.00 0.34 H new ATOM 0 HA THR A 63 -5.992 6.298 6.925 1.00 0.38 H new ATOM 0 HB THR A 63 -8.099 4.708 5.400 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.566 6.264 6.384 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.054 4.288 7.635 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.396 3.653 7.500 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.699 5.172 8.377 1.00 0.66 H new ATOM 546 N HIS A 64 -5.583 3.776 4.809 1.00 0.26 N ATOM 547 CA HIS A 64 -4.943 2.463 4.662 1.00 0.25 C ATOM 548 C HIS A 64 -3.544 2.565 4.072 1.00 0.25 C ATOM 549 O HIS A 64 -2.738 1.646 4.211 1.00 0.54 O ATOM 550 CB HIS A 64 -5.798 1.536 3.794 1.00 0.33 C ATOM 551 CG HIS A 64 -7.026 1.033 4.482 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.501 -0.252 4.342 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.875 1.656 5.323 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.594 -0.394 5.072 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.841 0.749 5.678 1.00 0.68 N ATOM 0 H HIS A 64 -6.112 4.084 3.993 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.855 2.045 5.665 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.091 2.068 2.889 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.193 0.685 3.481 1.00 0.33 H new ATOM 0 HD2 HIS A 64 -7.807 2.681 5.656 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.184 -1.294 5.157 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.622 0.930 6.308 1.00 0.68 H new ATOM 564 N LEU A 65 -3.259 3.688 3.435 1.00 0.32 N ATOM 565 CA LEU A 65 -2.002 3.874 2.714 1.00 0.22 C ATOM 566 C LEU A 65 -0.798 3.763 3.654 1.00 0.20 C ATOM 567 O LEU A 65 0.227 3.183 3.293 1.00 0.24 O ATOM 568 CB LEU A 65 -2.004 5.228 1.984 1.00 0.29 C ATOM 569 CG LEU A 65 -2.815 5.293 0.671 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.171 4.448 -0.411 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.251 4.845 0.881 1.00 0.99 C ATOM 0 H LEU A 65 -3.884 4.493 3.400 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.914 3.078 1.974 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.394 5.984 2.665 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.972 5.500 1.763 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.820 6.335 0.351 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.763 4.513 -1.324 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.163 4.813 -0.606 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.124 3.410 -0.082 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.792 4.904 -0.063 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.262 3.817 1.243 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.731 5.493 1.615 1.00 0.99 H new ATOM 583 N GLU A 66 -0.939 4.303 4.861 1.00 0.30 N ATOM 584 CA GLU A 66 0.125 4.249 5.862 1.00 0.40 C ATOM 585 C GLU A 66 0.529 2.810 6.173 1.00 0.38 C ATOM 586 O GLU A 66 1.703 2.443 6.066 1.00 0.38 O ATOM 587 CB GLU A 66 -0.329 4.936 7.152 1.00 0.53 C ATOM 588 CG GLU A 66 0.724 4.921 8.251 1.00 0.88 C ATOM 589 CD GLU A 66 0.221 5.514 9.547 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.483 6.705 9.805 1.00 1.75 O ATOM 591 OE2 GLU A 66 -0.443 4.792 10.318 1.00 1.75 O ATOM 0 H GLU A 66 -1.783 4.785 5.172 1.00 0.30 H new ATOM 0 HA GLU A 66 0.990 4.769 5.450 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.596 5.969 6.930 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.231 4.445 7.517 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.046 3.895 8.426 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.600 5.477 7.917 1.00 0.88 H new ATOM 598 N ARG A 67 -0.450 1.997 6.548 1.00 0.42 N ATOM 599 CA ARG A 67 -0.183 0.633 6.986 1.00 0.44 C ATOM 600 C ARG A 67 0.361 -0.213 5.839 1.00 0.39 C ATOM 601 O ARG A 67 1.120 -1.157 6.059 1.00 0.40 O ATOM 602 CB ARG A 67 -1.449 -0.013 7.538 1.00 0.54 C ATOM 603 CG ARG A 67 -1.163 -1.221 8.412 1.00 0.74 C ATOM 604 CD ARG A 67 -2.308 -2.208 8.396 1.00 0.86 C ATOM 605 NE ARG A 67 -2.291 -2.988 7.165 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.351 -3.215 6.406 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.543 -2.761 6.763 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.217 -3.910 5.289 1.00 2.07 N ATOM 0 H ARG A 67 -1.436 2.258 6.558 1.00 0.42 H new ATOM 0 HA ARG A 67 0.568 0.681 7.775 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.004 0.725 8.117 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.089 -0.314 6.708 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.254 -1.713 8.066 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.979 -0.894 9.435 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.235 -2.873 9.256 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.256 -1.677 8.484 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.400 -3.387 6.868 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.649 -2.232 7.629 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.355 -2.940 6.172 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.301 -4.267 5.017 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.030 -4.089 4.699 1.00 2.07 H new ATOM 622 N LEU A 68 -0.017 0.137 4.618 1.00 0.35 N ATOM 623 CA LEU A 68 0.401 -0.618 3.447 1.00 0.34 C ATOM 624 C LEU A 68 1.902 -0.493 3.183 1.00 0.31 C ATOM 625 O LEU A 68 2.489 -1.350 2.528 1.00 0.40 O ATOM 626 CB LEU A 68 -0.414 -0.199 2.223 1.00 0.33 C ATOM 627 CG LEU A 68 -1.778 -0.881 2.102 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.517 -0.379 0.875 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.619 -2.395 2.039 1.00 0.61 C ATOM 0 H LEU A 68 -0.613 0.939 4.413 1.00 0.35 H new ATOM 0 HA LEU A 68 0.207 -1.671 3.649 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.564 0.880 2.255 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.166 -0.414 1.326 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.363 -0.632 2.987 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.485 -0.875 0.805 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.666 0.698 0.955 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.931 -0.599 -0.018 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.601 -2.861 1.953 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.014 -2.662 1.172 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.128 -2.747 2.946 1.00 0.61 H new ATOM 641 N LEU A 69 2.536 0.542 3.722 1.00 0.27 N ATOM 642 CA LEU A 69 3.994 0.638 3.640 1.00 0.24 C ATOM 643 C LEU A 69 4.604 -0.138 4.800 1.00 0.25 C ATOM 644 O LEU A 69 5.660 -0.780 4.680 1.00 0.26 O ATOM 645 CB LEU A 69 4.491 2.094 3.665 1.00 0.25 C ATOM 646 CG LEU A 69 4.523 2.826 2.313 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.850 3.529 2.118 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.268 1.874 1.160 1.00 0.30 C ATOM 0 H LEU A 69 2.079 1.312 4.211 1.00 0.27 H new ATOM 0 HA LEU A 69 4.306 0.213 2.686 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.856 2.661 4.346 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.497 2.105 4.084 1.00 0.25 H new ATOM 0 HG LEU A 69 3.725 3.568 2.324 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.853 4.041 1.156 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.997 4.256 2.916 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.657 2.796 2.141 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.298 2.425 0.220 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.035 1.100 1.151 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.288 1.412 1.279 1.00 0.30 H new ATOM 660 N ASP A 70 3.885 -0.148 5.909 1.00 0.29 N ATOM 661 CA ASP A 70 4.365 -0.811 7.101 1.00 0.35 C ATOM 662 C ASP A 70 4.438 -2.304 6.846 1.00 0.38 C ATOM 663 O ASP A 70 5.320 -2.987 7.354 1.00 0.43 O ATOM 664 CB ASP A 70 3.466 -0.505 8.299 1.00 0.43 C ATOM 665 CG ASP A 70 3.788 -1.364 9.507 1.00 0.91 C ATOM 666 OD1 ASP A 70 2.941 -2.198 9.896 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.893 -1.218 10.068 1.00 1.56 O ATOM 0 H ASP A 70 2.971 0.294 6.005 1.00 0.29 H new ATOM 0 HA ASP A 70 5.361 -0.439 7.340 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.571 0.546 8.568 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.425 -0.659 8.016 1.00 0.43 H new ATOM 672 N GLU A 71 3.517 -2.801 6.031 1.00 0.42 N ATOM 673 CA GLU A 71 3.556 -4.188 5.617 1.00 0.50 C ATOM 674 C GLU A 71 4.526 -4.383 4.465 1.00 0.45 C ATOM 675 O GLU A 71 5.383 -5.249 4.537 1.00 0.48 O ATOM 676 CB GLU A 71 2.179 -4.679 5.201 1.00 0.61 C ATOM 677 CG GLU A 71 1.117 -4.469 6.257 1.00 0.94 C ATOM 678 CD GLU A 71 -0.179 -5.148 5.901 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.570 -6.095 6.612 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.810 -4.743 4.909 1.00 2.18 O ATOM 0 H GLU A 71 2.739 -2.264 5.648 1.00 0.42 H new ATOM 0 HA GLU A 71 3.894 -4.770 6.475 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.879 -4.164 4.288 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.238 -5.741 4.963 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.476 -4.852 7.212 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.942 -3.401 6.387 1.00 0.94 H new ATOM 687 N GLU A 72 4.423 -3.549 3.428 1.00 0.43 N ATOM 688 CA GLU A 72 5.218 -3.740 2.215 1.00 0.45 C ATOM 689 C GLU A 72 6.701 -3.574 2.522 1.00 0.42 C ATOM 690 O GLU A 72 7.517 -4.421 2.183 1.00 0.47 O ATOM 691 CB GLU A 72 4.807 -2.752 1.122 1.00 0.46 C ATOM 692 CG GLU A 72 5.536 -2.972 -0.195 1.00 0.57 C ATOM 693 CD GLU A 72 5.058 -4.202 -0.942 1.00 0.91 C ATOM 694 OE1 GLU A 72 5.279 -5.331 -0.458 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.483 -4.047 -2.037 1.00 1.33 O ATOM 0 H GLU A 72 3.801 -2.741 3.404 1.00 0.43 H new ATOM 0 HA GLU A 72 5.034 -4.752 1.854 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.733 -2.834 0.953 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.998 -1.737 1.470 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.402 -2.095 -0.828 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.605 -3.065 -0.001 1.00 0.57 H new ATOM 702 N ILE A 73 7.026 -2.497 3.217 1.00 0.35 N ATOM 703 CA ILE A 73 8.405 -2.199 3.570 1.00 0.34 C ATOM 704 C ILE A 73 8.964 -3.297 4.453 1.00 0.40 C ATOM 705 O ILE A 73 10.087 -3.759 4.259 1.00 0.45 O ATOM 706 CB ILE A 73 8.518 -0.835 4.285 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.369 0.290 3.267 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.830 -0.702 5.049 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.422 1.673 3.870 1.00 0.27 C ATOM 0 H ILE A 73 6.349 -1.810 3.550 1.00 0.35 H new ATOM 0 HA ILE A 73 8.986 -2.146 2.649 1.00 0.34 H new ATOM 0 HB ILE A 73 7.714 -0.767 5.018 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.159 0.199 2.522 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.421 0.169 2.743 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.870 0.272 5.537 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.894 -1.488 5.801 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.666 -0.794 4.355 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.309 2.418 3.082 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.615 1.785 4.594 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.380 1.816 4.369 1.00 0.27 H new ATOM 721 N SER A 74 8.159 -3.740 5.403 1.00 0.41 N ATOM 722 CA SER A 74 8.604 -4.790 6.320 1.00 0.49 C ATOM 723 C SER A 74 8.719 -6.156 5.627 1.00 0.54 C ATOM 724 O SER A 74 9.637 -6.927 5.914 1.00 0.60 O ATOM 725 CB SER A 74 7.676 -4.880 7.526 1.00 0.52 C ATOM 726 OG SER A 74 7.717 -3.678 8.276 1.00 1.34 O ATOM 0 H SER A 74 7.210 -3.401 5.563 1.00 0.41 H new ATOM 0 HA SER A 74 9.602 -4.515 6.661 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.656 -5.073 7.194 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.970 -5.719 8.157 1.00 0.52 H new ATOM 0 HG SER A 74 6.894 -3.168 8.122 1.00 1.34 H new ATOM 732 N ARG A 75 7.816 -6.443 4.698 1.00 0.55 N ATOM 733 CA ARG A 75 7.811 -7.743 4.036 1.00 0.63 C ATOM 734 C ARG A 75 8.898 -7.803 2.972 1.00 0.65 C ATOM 735 O ARG A 75 9.525 -8.839 2.786 1.00 0.72 O ATOM 736 CB ARG A 75 6.441 -8.084 3.433 1.00 0.74 C ATOM 737 CG ARG A 75 5.968 -7.118 2.364 1.00 0.76 C ATOM 738 CD ARG A 75 4.628 -7.532 1.782 1.00 1.25 C ATOM 739 NE ARG A 75 4.698 -8.820 1.096 1.00 1.84 N ATOM 740 CZ ARG A 75 4.601 -8.962 -0.224 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.526 -7.894 -1.008 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.614 -10.172 -0.765 1.00 3.67 N ATOM 0 H ARG A 75 7.085 -5.802 4.388 1.00 0.55 H new ATOM 0 HA ARG A 75 8.020 -8.494 4.797 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.485 -9.086 3.006 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.702 -8.111 4.234 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.886 -6.118 2.789 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.710 -7.066 1.567 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.889 -7.588 2.581 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.286 -6.768 1.083 1.00 1.25 H new ATOM 0 HE ARG A 75 4.829 -9.659 1.661 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.543 -6.959 -0.600 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.452 -8.008 -2.019 1.00 3.05 H new ATOM 0 HH21 ARG A 75 4.698 -10.996 -0.170 1.00 3.67 H new ATOM 0 HH22 ARG A 75 4.540 -10.279 -1.777 1.00 3.67 H new ATOM 756 N VAL A 76 9.134 -6.684 2.297 1.00 0.62 N ATOM 757 CA VAL A 76 10.219 -6.585 1.325 1.00 0.67 C ATOM 758 C VAL A 76 11.570 -6.769 2.015 1.00 0.71 C ATOM 759 O VAL A 76 12.529 -7.238 1.409 1.00 0.84 O ATOM 760 CB VAL A 76 10.176 -5.230 0.573 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.424 -5.012 -0.269 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.942 -5.153 -0.311 1.00 0.58 C ATOM 0 H VAL A 76 8.587 -5.830 2.405 1.00 0.62 H new ATOM 0 HA VAL A 76 10.088 -7.381 0.592 1.00 0.67 H new ATOM 0 HB VAL A 76 10.134 -4.443 1.326 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.355 -4.052 -0.780 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.303 -5.018 0.375 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.509 -5.810 -1.007 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.927 -4.196 -0.832 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.966 -5.963 -1.040 1.00 0.58 H new ATOM 0 HG23 VAL A 76 8.047 -5.245 0.304 1.00 0.58 H new ATOM 772 N ARG A 77 11.624 -6.447 3.302 1.00 0.65 N ATOM 773 CA ARG A 77 12.851 -6.600 4.073 1.00 0.73 C ATOM 774 C ARG A 77 13.033 -8.049 4.507 1.00 0.86 C ATOM 775 O ARG A 77 14.157 -8.524 4.664 1.00 0.98 O ATOM 776 CB ARG A 77 12.857 -5.685 5.301 1.00 0.75 C ATOM 777 CG ARG A 77 13.050 -4.215 4.967 1.00 0.81 C ATOM 778 CD ARG A 77 13.176 -3.357 6.220 1.00 0.84 C ATOM 779 NE ARG A 77 11.966 -3.382 7.044 1.00 1.39 N ATOM 780 CZ ARG A 77 11.603 -2.395 7.866 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.370 -1.318 7.999 1.00 1.45 N ATOM 782 NH2 ARG A 77 10.477 -2.486 8.567 1.00 2.73 N ATOM 0 H ARG A 77 10.834 -6.079 3.832 1.00 0.65 H new ATOM 0 HA ARG A 77 13.682 -6.313 3.428 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.916 -5.806 5.838 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.652 -6.003 5.976 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.944 -4.097 4.355 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.207 -3.865 4.371 1.00 0.81 H new ATOM 0 HD2 ARG A 77 14.022 -3.707 6.812 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.393 -2.329 5.931 1.00 0.84 H new ATOM 0 HE ARG A 77 11.364 -4.203 6.986 1.00 1.39 H new ATOM 0 HH11 ARG A 77 13.240 -1.243 7.472 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.089 -0.566 8.628 1.00 1.45 H new ATOM 0 HH21 ARG A 77 9.886 -3.313 8.478 1.00 2.73 H new ATOM 0 HH22 ARG A 77 10.204 -1.729 9.194 1.00 2.73 H new ATOM 796 N LYS A 78 11.922 -8.752 4.679 1.00 0.90 N ATOM 797 CA LYS A 78 11.949 -10.128 5.130 1.00 1.08 C ATOM 798 C LYS A 78 12.162 -11.070 3.944 1.00 1.11 C ATOM 799 O LYS A 78 12.957 -12.006 4.019 1.00 1.32 O ATOM 800 CB LYS A 78 10.652 -10.434 5.907 1.00 1.13 C ATOM 801 CG LYS A 78 10.207 -11.887 5.876 1.00 1.35 C ATOM 802 CD LYS A 78 9.282 -12.140 4.699 1.00 2.01 C ATOM 803 CE LYS A 78 7.861 -11.676 4.983 1.00 2.67 C ATOM 804 NZ LYS A 78 6.939 -12.008 3.864 1.00 3.44 N ATOM 0 H LYS A 78 10.986 -8.384 4.510 1.00 0.90 H new ATOM 0 HA LYS A 78 12.787 -10.286 5.809 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.791 -10.135 6.946 1.00 1.13 H new ATOM 0 HB3 LYS A 78 9.850 -9.816 5.502 1.00 1.13 H new ATOM 0 HG2 LYS A 78 11.078 -12.538 5.806 1.00 1.35 H new ATOM 0 HG3 LYS A 78 9.696 -12.136 6.806 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.664 -11.622 3.819 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.276 -13.204 4.464 1.00 2.01 H new ATOM 0 HE2 LYS A 78 7.502 -12.143 5.900 1.00 2.67 H new ATOM 0 HE3 LYS A 78 7.857 -10.599 5.151 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 5.980 -11.676 4.094 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.267 -11.542 2.994 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 6.924 -13.038 3.721 1.00 3.44 H new ATOM 999 N THR B 38 -12.423 -7.429 4.600 1.00 0.97 N ATOM 1000 CA THR B 38 -13.853 -7.323 4.832 1.00 0.84 C ATOM 1001 C THR B 38 -14.447 -6.217 3.963 1.00 0.72 C ATOM 1002 O THR B 38 -13.703 -5.378 3.451 1.00 0.66 O ATOM 1003 CB THR B 38 -14.154 -7.027 6.315 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.415 -5.872 6.738 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.793 -8.217 7.193 1.00 0.95 C ATOM 0 HA THR B 38 -14.306 -8.278 4.568 1.00 0.84 H new ATOM 0 HB THR B 38 -15.222 -6.837 6.417 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.610 -5.686 7.680 1.00 0.85 H new ATOM 0 HG21 THR B 38 -14.015 -7.982 8.234 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.375 -9.086 6.885 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.730 -8.437 7.089 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.774 -6.203 3.746 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.426 -5.132 2.991 1.00 0.70 C ATOM 1015 C PRO B 39 -16.062 -3.749 3.516 1.00 0.62 C ATOM 1016 O PRO B 39 -15.654 -2.882 2.749 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.913 -5.399 3.192 1.00 0.78 C ATOM 1018 CG PRO B 39 -18.001 -6.862 3.452 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.738 -7.233 4.184 1.00 0.83 C ATOM 0 HA PRO B 39 -16.119 -5.133 1.945 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.309 -4.823 4.028 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.489 -5.118 2.310 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.881 -7.099 4.049 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -18.089 -7.419 2.519 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.880 -7.217 5.265 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.401 -8.236 3.922 1.00 0.83 H new ATOM 1027 N ASP B 40 -16.185 -3.556 4.829 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.850 -2.276 5.455 1.00 0.64 C ATOM 1029 C ASP B 40 -14.400 -1.900 5.173 1.00 0.57 C ATOM 1030 O ASP B 40 -14.093 -0.744 4.872 1.00 0.57 O ATOM 1031 CB ASP B 40 -16.086 -2.334 6.964 1.00 0.72 C ATOM 1032 CG ASP B 40 -15.664 -1.058 7.666 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -14.586 -1.051 8.291 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -16.408 -0.058 7.595 1.00 2.16 O ATOM 0 H ASP B 40 -16.514 -4.269 5.480 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.500 -1.514 5.026 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -17.143 -2.519 7.157 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.534 -3.175 7.383 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.520 -2.894 5.243 1.00 0.57 N ATOM 1040 CA TYR B 41 -12.110 -2.710 4.929 1.00 0.54 C ATOM 1041 C TYR B 41 -11.956 -2.197 3.502 1.00 0.46 C ATOM 1042 O TYR B 41 -11.094 -1.364 3.212 1.00 0.43 O ATOM 1043 CB TYR B 41 -11.374 -4.046 5.091 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.871 -3.968 4.936 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -9.274 -3.929 3.679 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -9.049 -3.946 6.051 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.900 -3.870 3.546 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.678 -3.886 5.922 1.00 0.88 C ATOM 1049 CZ TYR B 41 -7.113 -3.851 4.667 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.755 -3.790 4.532 1.00 0.82 O ATOM 0 H TYR B 41 -13.764 -3.845 5.518 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.680 -1.977 5.611 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.602 -4.453 6.076 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.764 -4.751 4.357 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.894 -3.945 2.795 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -9.489 -3.976 7.037 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.450 -3.839 2.565 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -7.050 -3.867 6.801 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.504 -4.057 3.623 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.823 -2.682 2.624 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.775 -2.324 1.218 1.00 0.39 C ATOM 1062 C LEU B 42 -13.410 -0.959 0.984 1.00 0.36 C ATOM 1063 O LEU B 42 -13.025 -0.238 0.069 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.490 -3.388 0.380 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.605 -3.081 -1.116 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.230 -2.950 -1.748 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.416 -4.155 -1.822 1.00 0.48 C ATOM 0 H LEU B 42 -13.573 -3.330 2.866 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.730 -2.272 0.913 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.963 -4.334 0.499 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.493 -3.529 0.782 1.00 0.43 H new ATOM 0 HG LEU B 42 -14.123 -2.129 -1.228 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.337 -2.732 -2.811 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.683 -2.140 -1.265 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.682 -3.884 -1.623 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.486 -3.919 -2.884 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.927 -5.121 -1.697 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.417 -4.196 -1.392 1.00 0.48 H new ATOM 1079 N MET B 43 -14.352 -0.581 1.843 1.00 0.39 N ATOM 1080 CA MET B 43 -15.089 0.660 1.651 1.00 0.40 C ATOM 1081 C MET B 43 -14.190 1.830 1.995 1.00 0.36 C ATOM 1082 O MET B 43 -14.206 2.868 1.331 1.00 0.36 O ATOM 1083 CB MET B 43 -16.351 0.706 2.522 1.00 0.47 C ATOM 1084 CG MET B 43 -17.354 -0.412 2.257 1.00 0.63 C ATOM 1085 SD MET B 43 -17.869 -0.522 0.529 1.00 0.85 S ATOM 1086 CE MET B 43 -16.870 -1.898 -0.044 1.00 0.54 C ATOM 0 H MET B 43 -14.620 -1.112 2.671 1.00 0.39 H new ATOM 0 HA MET B 43 -15.401 0.716 0.608 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.053 0.667 3.570 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.847 1.664 2.367 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.914 -1.363 2.558 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.234 -0.256 2.881 1.00 0.63 H new ATOM 0 HE1 MET B 43 -17.191 -2.189 -1.044 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.822 -1.600 -0.071 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.990 -2.742 0.635 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.389 1.639 3.033 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.404 2.634 3.429 1.00 0.35 C ATOM 1098 C GLN B 44 -11.391 2.822 2.306 1.00 0.30 C ATOM 1099 O GLN B 44 -11.012 3.946 1.975 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.687 2.201 4.708 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.613 2.006 5.897 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.874 1.526 7.133 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.698 1.834 7.331 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.549 0.757 7.966 1.00 0.75 N ATOM 0 H GLN B 44 -13.402 0.803 3.617 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.915 3.577 3.622 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.156 1.269 4.517 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.937 2.949 4.963 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.116 2.947 6.120 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.387 1.284 5.637 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.522 0.523 7.769 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.098 0.397 8.807 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.983 1.707 1.709 1.00 0.27 N ATOM 1114 CA LEU B 45 -10.025 1.716 0.611 1.00 0.25 C ATOM 1115 C LEU B 45 -10.551 2.466 -0.602 1.00 0.23 C ATOM 1116 O LEU B 45 -9.789 3.139 -1.297 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.679 0.288 0.203 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.523 -0.348 0.965 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.342 -1.793 0.536 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.249 0.441 0.721 1.00 0.31 C ATOM 0 H LEU B 45 -11.306 0.776 1.972 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.134 2.231 0.969 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.564 -0.334 0.335 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.439 0.280 -0.860 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.749 -0.331 2.031 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.513 -2.235 1.088 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.255 -2.351 0.743 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.128 -1.831 -0.532 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.426 -0.018 1.268 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.020 0.442 -0.345 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.385 1.467 1.064 1.00 0.31 H new ATOM 1132 N MET B 46 -11.852 2.363 -0.845 1.00 0.26 N ATOM 1133 CA MET B 46 -12.444 2.975 -2.028 1.00 0.27 C ATOM 1134 C MET B 46 -12.307 4.480 -1.973 1.00 0.26 C ATOM 1135 O MET B 46 -12.202 5.141 -3.008 1.00 0.40 O ATOM 1136 CB MET B 46 -13.923 2.625 -2.171 1.00 0.33 C ATOM 1137 CG MET B 46 -14.206 1.147 -2.340 1.00 0.38 C ATOM 1138 SD MET B 46 -15.920 0.832 -2.810 1.00 0.49 S ATOM 1139 CE MET B 46 -16.783 1.886 -1.644 1.00 0.49 C ATOM 0 H MET B 46 -12.511 1.867 -0.246 1.00 0.26 H new ATOM 0 HA MET B 46 -11.905 2.580 -2.889 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.455 2.985 -1.291 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.328 3.160 -3.030 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.541 0.736 -3.100 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.985 0.627 -1.408 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.797 1.513 -1.498 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.254 1.883 -0.691 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.823 2.903 -2.034 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.286 5.029 -0.768 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.227 6.464 -0.599 1.00 0.30 C ATOM 1151 C ASN B 47 -10.774 6.931 -0.586 1.00 0.26 C ATOM 1152 O ASN B 47 -10.476 8.055 -0.984 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.934 6.860 0.700 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.996 8.359 0.910 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.128 8.944 1.551 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -14.030 8.988 0.380 1.00 1.43 N ATOM 0 H ASN B 47 -12.309 4.499 0.103 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.734 6.947 -1.434 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.947 6.458 0.692 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.416 6.402 1.543 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -14.128 9.997 0.497 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -14.730 8.465 -0.146 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.865 6.041 -0.182 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.439 6.366 -0.137 1.00 0.25 C ATOM 1165 C ASP B 48 -7.895 6.486 -1.554 1.00 0.25 C ATOM 1166 O ASP B 48 -7.196 7.444 -1.895 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.647 5.285 0.615 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.711 5.401 2.130 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.050 6.485 2.646 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.388 4.410 2.818 1.00 0.74 O ATOM 0 H ASP B 48 -10.091 5.093 0.118 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.325 7.313 0.391 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.024 4.305 0.321 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.604 5.332 0.303 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.240 5.503 -2.381 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.847 5.491 -3.785 1.00 0.27 C ATOM 1177 C LYS B 49 -8.467 6.683 -4.509 1.00 0.33 C ATOM 1178 O LYS B 49 -7.901 7.215 -5.462 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.301 4.184 -4.447 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.337 3.647 -5.498 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.201 4.589 -6.685 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.445 4.588 -7.562 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.732 3.245 -8.132 1.00 2.10 N ATOM 0 H LYS B 49 -8.797 4.697 -2.098 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.761 5.561 -3.849 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.437 3.427 -3.675 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.274 4.344 -4.911 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.358 3.491 -5.045 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.686 2.674 -5.846 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.013 5.600 -6.325 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.337 4.297 -7.282 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -9.301 4.922 -6.975 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.316 5.305 -8.373 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.365 3.344 -8.951 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.842 2.798 -8.433 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -9.190 2.652 -7.410 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.603 7.139 -4.007 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.322 8.228 -4.640 1.00 0.37 C ATOM 1199 C LYS B 50 -9.649 9.534 -4.249 1.00 0.39 C ATOM 1200 O LYS B 50 -9.426 10.407 -5.084 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.799 8.218 -4.209 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.721 9.085 -5.066 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.610 10.572 -4.744 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.172 10.904 -3.369 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.640 10.665 -3.286 1.00 3.05 N ATOM 0 H LYS B 50 -10.045 6.772 -3.164 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.298 8.115 -5.724 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.163 7.191 -4.233 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -11.864 8.555 -3.175 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.484 8.928 -6.118 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -13.752 8.763 -4.920 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -11.564 10.875 -4.790 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -13.143 11.147 -5.501 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -12.665 10.301 -2.616 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -12.962 11.948 -3.135 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.018 11.119 -2.430 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -15.105 11.067 -4.125 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -14.823 9.642 -3.245 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.311 9.644 -2.968 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.597 10.799 -2.451 1.00 0.44 C ATOM 1221 C LEU B 51 -7.257 10.988 -3.146 1.00 0.43 C ATOM 1222 O LEU B 51 -6.916 12.108 -3.517 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.413 10.678 -0.939 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.568 11.248 -0.114 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.563 10.673 1.288 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -9.472 12.763 -0.054 1.00 1.22 C ATOM 0 H LEU B 51 -9.525 8.937 -2.265 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.199 11.684 -2.660 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -8.285 9.626 -0.684 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.493 11.189 -0.655 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.504 10.969 -0.598 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -10.393 11.093 1.856 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.669 9.589 1.237 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.623 10.923 1.780 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -10.300 13.157 0.536 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -8.528 13.050 0.409 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -9.520 13.171 -1.064 1.00 1.22 H new ATOM 1238 N MET B 52 -6.504 9.908 -3.359 1.00 0.39 N ATOM 1239 CA MET B 52 -5.231 10.016 -4.057 1.00 0.37 C ATOM 1240 C MET B 52 -5.446 10.402 -5.514 1.00 0.41 C ATOM 1241 O MET B 52 -4.682 11.177 -6.080 1.00 0.47 O ATOM 1242 CB MET B 52 -4.442 8.705 -3.965 1.00 0.33 C ATOM 1243 CG MET B 52 -3.821 8.459 -2.610 1.00 1.29 C ATOM 1244 SD MET B 52 -2.818 6.965 -2.570 1.00 1.25 S ATOM 1245 CE MET B 52 -4.063 5.712 -2.845 1.00 0.32 C ATOM 0 H MET B 52 -6.752 8.964 -3.062 1.00 0.39 H new ATOM 0 HA MET B 52 -4.650 10.800 -3.572 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.106 7.875 -4.206 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.655 8.712 -4.719 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.203 9.314 -2.337 1.00 1.29 H new ATOM 0 HG3 MET B 52 -4.610 8.383 -1.861 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.590 4.731 -2.882 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.788 5.734 -2.031 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.572 5.906 -3.789 1.00 0.32 H new ATOM 1255 N SER B 53 -6.517 9.893 -6.106 1.00 0.41 N ATOM 1256 CA SER B 53 -6.818 10.166 -7.504 1.00 0.47 C ATOM 1257 C SER B 53 -7.345 11.594 -7.669 1.00 0.51 C ATOM 1258 O SER B 53 -7.357 12.140 -8.772 1.00 0.62 O ATOM 1259 CB SER B 53 -7.839 9.151 -8.031 1.00 0.52 C ATOM 1260 OG SER B 53 -8.082 9.322 -9.419 1.00 1.15 O ATOM 0 H SER B 53 -7.193 9.288 -5.639 1.00 0.41 H new ATOM 0 HA SER B 53 -5.901 10.071 -8.085 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.475 8.140 -7.847 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.775 9.258 -7.482 1.00 0.52 H new ATOM 0 HG SER B 53 -8.736 8.658 -9.721 1.00 1.15 H new ATOM 1266 N SER B 54 -7.769 12.192 -6.563 1.00 0.49 N ATOM 1267 CA SER B 54 -8.306 13.545 -6.574 1.00 0.54 C ATOM 1268 C SER B 54 -7.189 14.563 -6.344 1.00 0.53 C ATOM 1269 O SER B 54 -7.410 15.773 -6.404 1.00 0.53 O ATOM 1270 CB SER B 54 -9.386 13.679 -5.494 1.00 0.60 C ATOM 1271 OG SER B 54 -10.059 14.924 -5.575 1.00 1.30 O ATOM 0 H SER B 54 -7.751 11.757 -5.641 1.00 0.49 H new ATOM 0 HA SER B 54 -8.752 13.744 -7.548 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.107 12.868 -5.598 1.00 0.60 H new ATOM 0 HB3 SER B 54 -8.930 13.575 -4.509 1.00 0.60 H new ATOM 0 HG SER B 54 -9.463 15.593 -5.973 1.00 1.30 H new ATOM 1277 N LEU B 55 -5.991 14.062 -6.087 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.847 14.920 -5.815 1.00 0.57 C ATOM 1279 C LEU B 55 -3.974 15.075 -7.056 1.00 0.65 C ATOM 1280 O LEU B 55 -3.391 14.102 -7.534 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.009 14.348 -4.667 1.00 0.51 C ATOM 1282 CG LEU B 55 -4.737 14.190 -3.329 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -3.823 13.544 -2.300 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.239 15.535 -2.827 1.00 0.65 C ATOM 0 H LEU B 55 -5.785 13.063 -6.061 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.227 15.901 -5.529 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.628 13.373 -4.970 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.145 14.994 -4.515 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.599 13.540 -3.483 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.356 13.439 -1.355 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.515 12.560 -2.654 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -2.942 14.169 -2.152 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -5.753 15.399 -1.875 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.395 16.211 -2.690 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -5.930 15.960 -3.555 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.860 16.306 -7.592 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.965 16.606 -8.721 1.00 0.95 C ATOM 1298 C PRO B 56 -1.498 16.500 -8.309 1.00 0.88 C ATOM 1299 O PRO B 56 -0.589 16.575 -9.136 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.307 18.057 -9.093 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.583 18.364 -8.382 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.600 17.497 -7.158 1.00 0.98 C ATOM 0 HA PRO B 56 -3.100 15.908 -9.547 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.513 18.738 -8.785 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.422 18.168 -10.171 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -4.634 19.419 -8.112 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.443 18.156 -9.018 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.119 17.985 -6.310 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.616 17.252 -6.850 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.294 16.327 -7.013 1.00 0.63 N ATOM 1311 CA ASN B 57 0.038 16.181 -6.448 1.00 0.62 C ATOM 1312 C ASN B 57 0.434 14.711 -6.417 1.00 0.57 C ATOM 1313 O ASN B 57 1.597 14.371 -6.201 1.00 0.59 O ATOM 1314 CB ASN B 57 0.097 16.761 -5.029 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.178 18.253 -4.985 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.731 19.068 -5.138 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.429 18.623 -4.748 1.00 1.73 N ATOM 0 H ASN B 57 -2.045 16.284 -6.324 1.00 0.63 H new ATOM 0 HA ASN B 57 0.736 16.732 -7.078 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.629 16.245 -4.401 1.00 0.68 H new ATOM 0 HB3 ASN B 57 1.081 16.566 -4.604 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.665 19.613 -4.687 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.155 17.917 -4.627 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.538 13.839 -6.663 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.325 12.404 -6.546 1.00 0.70 C ATOM 1326 C PHE B 58 0.325 11.851 -7.800 1.00 0.90 C ATOM 1327 O PHE B 58 -0.321 11.259 -8.662 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.637 11.696 -6.290 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.487 10.237 -5.971 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -0.750 9.828 -4.874 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -2.091 9.277 -6.765 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.618 8.487 -4.574 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.961 7.937 -6.470 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.225 7.543 -5.372 1.00 0.69 C ATOM 0 H PHE B 58 -1.482 14.103 -6.945 1.00 0.62 H new ATOM 0 HA PHE B 58 0.343 12.229 -5.703 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.149 12.188 -5.463 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.274 11.803 -7.168 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.273 10.566 -4.246 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.670 9.581 -7.624 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.040 8.179 -3.715 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -2.435 7.197 -7.098 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.125 6.493 -5.138 1.00 0.69 H new ATOM 1344 N SER B 59 1.604 12.082 -7.877 1.00 0.91 N ATOM 1345 CA SER B 59 2.442 11.607 -8.965 1.00 1.02 C ATOM 1346 C SER B 59 3.902 11.824 -8.597 1.00 1.10 C ATOM 1347 O SER B 59 4.761 10.984 -8.861 1.00 1.84 O ATOM 1348 CB SER B 59 2.093 12.336 -10.267 1.00 1.21 C ATOM 1349 OG SER B 59 1.958 13.731 -10.047 1.00 1.84 O ATOM 0 H SER B 59 2.114 12.617 -7.174 1.00 0.91 H new ATOM 0 HA SER B 59 2.267 10.543 -9.124 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.870 12.155 -11.009 1.00 1.21 H new ATOM 0 HB3 SER B 59 1.164 11.937 -10.674 1.00 1.21 H new ATOM 0 HG SER B 59 1.737 14.176 -10.892 1.00 1.84 H new ATOM 1355 N GLY B 60 4.165 12.960 -7.963 1.00 0.91 N ATOM 1356 CA GLY B 60 5.491 13.243 -7.471 1.00 0.88 C ATOM 1357 C GLY B 60 5.644 12.876 -6.007 1.00 0.67 C ATOM 1358 O GLY B 60 6.739 12.535 -5.558 1.00 0.74 O ATOM 0 H GLY B 60 3.477 13.691 -7.782 1.00 0.91 H new ATOM 0 HA2 GLY B 60 6.222 12.691 -8.061 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.709 14.303 -7.604 1.00 0.88 H new ATOM 1362 N ILE B 61 4.545 12.936 -5.258 1.00 0.51 N ATOM 1363 CA ILE B 61 4.598 12.688 -3.821 1.00 0.54 C ATOM 1364 C ILE B 61 4.832 11.217 -3.475 1.00 0.73 C ATOM 1365 O ILE B 61 5.727 10.920 -2.698 1.00 1.81 O ATOM 1366 CB ILE B 61 3.354 13.219 -3.067 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.054 12.697 -3.690 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.367 14.739 -3.046 1.00 0.79 C ATOM 1369 CD1 ILE B 61 0.800 13.275 -3.062 1.00 0.79 C ATOM 0 H ILE B 61 3.616 13.152 -5.619 1.00 0.51 H new ATOM 0 HA ILE B 61 5.464 13.254 -3.478 1.00 0.54 H new ATOM 0 HB ILE B 61 3.396 12.850 -2.042 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.055 12.927 -4.756 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.028 11.611 -3.598 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.488 15.103 -2.514 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.268 15.088 -2.541 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.354 15.117 -4.068 1.00 0.79 H new ATOM 0 HD11 ILE B 61 -0.079 12.859 -3.555 1.00 0.79 H new ATOM 0 HD12 ILE B 61 0.775 13.023 -2.002 1.00 0.79 H new ATOM 0 HD13 ILE B 61 0.802 14.359 -3.177 1.00 0.79 H new ATOM 1381 N PHE B 62 4.068 10.280 -4.037 1.00 0.58 N ATOM 1382 CA PHE B 62 4.205 8.879 -3.636 1.00 0.50 C ATOM 1383 C PHE B 62 4.336 7.988 -4.861 1.00 0.51 C ATOM 1384 O PHE B 62 3.553 8.104 -5.804 1.00 0.76 O ATOM 1385 CB PHE B 62 2.992 8.423 -2.826 1.00 0.50 C ATOM 1386 CG PHE B 62 2.549 9.394 -1.775 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.428 9.851 -0.809 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.246 9.850 -1.761 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.012 10.748 0.149 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.826 10.744 -0.805 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.709 11.194 0.153 1.00 0.59 C ATOM 0 H PHE B 62 3.364 10.458 -4.754 1.00 0.58 H new ATOM 0 HA PHE B 62 5.101 8.798 -3.021 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.162 8.242 -3.509 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.226 7.471 -2.349 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.450 9.501 -0.807 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.549 9.501 -2.509 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.707 11.102 0.897 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.196 11.094 -0.805 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.380 11.895 0.906 1.00 0.59 H new ATOM 1401 N THR B 63 5.322 7.105 -4.843 1.00 0.35 N ATOM 1402 CA THR B 63 5.566 6.210 -5.966 1.00 0.38 C ATOM 1403 C THR B 63 4.834 4.868 -5.813 1.00 0.30 C ATOM 1404 O THR B 63 4.100 4.444 -6.703 1.00 0.38 O ATOM 1405 CB THR B 63 7.077 5.962 -6.143 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.766 7.219 -6.202 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.358 5.171 -7.414 1.00 0.66 C ATOM 0 H THR B 63 5.968 6.988 -4.062 1.00 0.35 H new ATOM 0 HA THR B 63 5.171 6.703 -6.854 1.00 0.38 H new ATOM 0 HB THR B 63 7.431 5.382 -5.291 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.727 7.061 -6.313 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.432 5.011 -7.513 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.851 4.208 -7.363 1.00 0.66 H new ATOM 0 HG23 THR B 63 6.993 5.728 -8.277 1.00 0.66 H new ATOM 1415 N HIS B 64 5.026 4.207 -4.674 1.00 0.26 N ATOM 1416 CA HIS B 64 4.531 2.836 -4.491 1.00 0.25 C ATOM 1417 C HIS B 64 3.128 2.804 -3.902 1.00 0.25 C ATOM 1418 O HIS B 64 2.426 1.799 -4.011 1.00 0.54 O ATOM 1419 CB HIS B 64 5.477 2.029 -3.598 1.00 0.34 C ATOM 1420 CG HIS B 64 6.753 1.641 -4.274 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.362 0.417 -4.103 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.532 2.328 -5.135 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.463 0.372 -4.832 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.587 1.520 -5.468 1.00 0.68 N ATOM 0 H HIS B 64 5.517 4.591 -3.866 1.00 0.26 H new ATOM 0 HA HIS B 64 4.492 2.385 -5.482 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.710 2.614 -2.708 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.965 1.127 -3.262 1.00 0.34 H new ATOM 0 HD2 HIS B 64 7.356 3.331 -5.496 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.145 -0.463 -4.896 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.345 1.767 -6.104 1.00 0.68 H new ATOM 1433 N LEU B 65 2.723 3.907 -3.295 1.00 0.32 N ATOM 1434 CA LEU B 65 1.453 3.976 -2.577 1.00 0.22 C ATOM 1435 C LEU B 65 0.269 3.713 -3.511 1.00 0.21 C ATOM 1436 O LEU B 65 -0.691 3.040 -3.134 1.00 0.24 O ATOM 1437 CB LEU B 65 1.310 5.342 -1.883 1.00 0.29 C ATOM 1438 CG LEU B 65 2.107 5.529 -0.574 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.552 4.652 0.532 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.583 5.232 -0.774 1.00 0.99 C ATOM 0 H LEU B 65 3.258 4.776 -3.283 1.00 0.32 H new ATOM 0 HA LEU B 65 1.449 3.195 -1.817 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.618 6.117 -2.585 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.254 5.508 -1.668 1.00 0.29 H new ATOM 0 HG LEU B 65 2.002 6.574 -0.282 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.132 4.804 1.442 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.511 4.915 0.717 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.614 3.606 0.232 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.114 5.374 0.168 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.705 4.201 -1.108 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.991 5.907 -1.526 1.00 0.99 H new ATOM 1452 N GLU B 66 0.355 4.233 -4.733 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.695 4.042 -5.733 1.00 0.40 C ATOM 1454 C GLU B 66 -0.945 2.562 -6.008 1.00 0.38 C ATOM 1455 O GLU B 66 -2.076 2.079 -5.901 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.312 4.741 -7.041 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.351 4.587 -8.142 1.00 0.88 C ATOM 1458 CD GLU B 66 -0.904 5.191 -9.455 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.286 6.339 -9.751 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -0.163 4.518 -10.203 1.00 1.75 O ATOM 0 H GLU B 66 1.144 4.792 -5.056 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.611 4.478 -5.334 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.158 5.802 -6.844 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.639 4.341 -7.392 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.565 3.528 -8.288 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.281 5.060 -7.827 1.00 0.88 H new ATOM 1467 N ARG B 67 0.117 1.848 -6.356 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.003 0.454 -6.760 1.00 0.44 C ATOM 1469 C ARG B 67 -0.456 -0.416 -5.593 1.00 0.39 C ATOM 1470 O ARG B 67 -1.112 -1.438 -5.787 1.00 0.40 O ATOM 1471 CB ARG B 67 1.326 -0.069 -7.297 1.00 0.54 C ATOM 1472 CG ARG B 67 1.171 -1.324 -8.140 1.00 0.74 C ATOM 1473 CD ARG B 67 2.413 -2.184 -8.097 1.00 0.86 C ATOM 1474 NE ARG B 67 2.477 -2.930 -6.847 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.555 -3.026 -6.086 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.692 -2.456 -6.458 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.495 -3.700 -4.951 1.00 2.07 N ATOM 0 H ARG B 67 1.070 2.211 -6.367 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.753 0.404 -7.550 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.801 0.708 -7.896 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.992 -0.279 -6.461 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.317 -1.900 -7.782 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.957 -1.045 -9.172 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.413 -2.875 -8.940 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.299 -1.558 -8.199 1.00 0.86 H new ATOM 0 HE ARG B 67 1.633 -3.411 -6.537 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.740 -1.939 -7.336 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.519 -2.534 -5.866 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.621 -4.142 -4.666 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.322 -3.778 -4.360 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.119 0.004 -4.379 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.459 -0.760 -3.188 1.00 0.34 C ATOM 1493 C LEU B 68 -1.965 -0.789 -2.930 1.00 0.31 C ATOM 1494 O LEU B 68 -2.461 -1.689 -2.262 1.00 0.41 O ATOM 1495 CB LEU B 68 0.303 -0.224 -1.976 1.00 0.33 C ATOM 1496 CG LEU B 68 1.732 -0.754 -1.839 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.412 -0.146 -0.627 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.735 -2.273 -1.738 1.00 0.62 C ATOM 0 H LEU B 68 0.389 0.869 -4.195 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.154 -1.792 -3.361 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.337 0.864 -2.036 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.253 -0.476 -1.073 1.00 0.33 H new ATOM 0 HG LEU B 68 2.288 -0.466 -2.731 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.427 -0.535 -0.546 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.446 0.938 -0.735 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.852 -0.404 0.272 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.761 -2.629 -1.641 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.160 -2.581 -0.865 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.286 -2.698 -2.636 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.703 0.161 -3.494 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.160 0.102 -3.412 1.00 0.24 C ATOM 1512 C LEU B 69 -4.683 -0.766 -4.549 1.00 0.25 C ATOM 1513 O LEU B 69 -5.664 -1.512 -4.409 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.811 1.494 -3.475 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.924 2.257 -2.143 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.319 2.817 -1.966 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.572 1.369 -0.966 1.00 0.30 C ATOM 0 H LEU B 69 -2.329 0.963 -4.001 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.424 -0.328 -2.446 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.240 2.107 -4.173 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.812 1.385 -3.892 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.211 3.081 -2.175 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.379 3.353 -1.019 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.543 3.501 -2.784 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.042 2.001 -1.967 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.662 1.938 -0.041 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.253 0.518 -0.936 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.548 1.011 -1.074 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.965 -0.730 -5.658 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.372 -1.474 -6.832 1.00 0.35 C ATOM 1531 C ASP B 70 -4.286 -2.956 -6.537 1.00 0.38 C ATOM 1532 O ASP B 70 -5.084 -3.745 -7.031 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.510 -1.112 -8.041 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.730 -2.046 -9.216 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -2.791 -2.795 -9.572 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.842 -2.048 -9.783 1.00 1.56 O ATOM 0 H ASP B 70 -3.103 -0.196 -5.768 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.402 -1.213 -7.077 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.732 -0.090 -8.348 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.459 -1.137 -7.754 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.324 -3.330 -5.708 1.00 0.42 N ATOM 1542 CA GLU B 71 -3.214 -4.702 -5.261 1.00 0.50 C ATOM 1543 C GLU B 71 -4.160 -4.969 -4.104 1.00 0.46 C ATOM 1544 O GLU B 71 -4.919 -5.923 -4.153 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.793 -5.031 -4.834 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.758 -4.735 -5.897 1.00 0.94 C ATOM 1547 CD GLU B 71 0.600 -5.263 -5.520 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.082 -6.199 -6.189 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.187 -4.755 -4.548 1.00 2.18 O ATOM 0 H GLU B 71 -2.612 -2.702 -5.334 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.484 -5.339 -6.103 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.552 -4.463 -3.935 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.737 -6.087 -4.568 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -1.071 -5.179 -6.842 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.698 -3.658 -6.055 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.147 -4.101 -3.089 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.922 -4.343 -1.870 1.00 0.45 C ATOM 1558 C GLU B 72 -6.414 -4.342 -2.182 1.00 0.42 C ATOM 1559 O GLU B 72 -7.137 -5.262 -1.820 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.620 -3.288 -0.804 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.325 -3.546 0.519 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.726 -4.700 1.299 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.824 -5.856 0.841 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.180 -4.455 2.395 1.00 1.33 O ATOM 0 H GLU B 72 -3.613 -3.232 -3.086 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.634 -5.320 -1.482 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.544 -3.253 -0.633 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.915 -2.308 -1.179 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -5.283 -2.643 1.128 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.378 -3.753 0.328 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.850 -3.324 -2.903 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.253 -3.182 -3.263 1.00 0.35 C ATOM 1573 C ILE B 73 -8.688 -4.358 -4.116 1.00 0.40 C ATOM 1574 O ILE B 73 -9.753 -4.936 -3.905 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.508 -1.857 -4.015 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.479 -0.697 -3.027 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.824 -1.886 -4.781 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.678 0.656 -3.667 1.00 0.27 C ATOM 0 H ILE B 73 -6.249 -2.578 -3.254 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.840 -3.165 -2.344 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.716 -1.722 -4.751 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.255 -0.851 -2.277 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.524 -0.703 -2.502 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.966 -0.936 -5.296 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.802 -2.695 -5.511 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.647 -2.048 -4.085 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.645 1.430 -2.900 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.887 0.833 -4.396 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.646 0.683 -4.168 1.00 0.27 H new ATOM 1590 N SER B 74 -7.838 -4.738 -5.054 1.00 0.41 N ATOM 1591 CA SER B 74 -8.164 -5.851 -5.945 1.00 0.49 C ATOM 1592 C SER B 74 -8.137 -7.207 -5.219 1.00 0.54 C ATOM 1593 O SER B 74 -8.964 -8.080 -5.493 1.00 0.60 O ATOM 1594 CB SER B 74 -7.224 -5.874 -7.146 1.00 0.52 C ATOM 1595 OG SER B 74 -7.382 -4.702 -7.932 1.00 1.34 O ATOM 0 H SER B 74 -6.930 -4.304 -5.222 1.00 0.41 H new ATOM 0 HA SER B 74 -9.184 -5.690 -6.295 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.192 -5.952 -6.804 1.00 0.52 H new ATOM 0 HB3 SER B 74 -7.426 -6.755 -7.755 1.00 0.52 H new ATOM 0 HG SER B 74 -6.580 -4.144 -7.853 1.00 1.34 H new ATOM 1601 N ARG B 75 -7.214 -7.372 -4.279 1.00 0.56 N ATOM 1602 CA ARG B 75 -7.072 -8.648 -3.581 1.00 0.63 C ATOM 1603 C ARG B 75 -8.149 -8.792 -2.514 1.00 0.65 C ATOM 1604 O ARG B 75 -8.666 -9.882 -2.301 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.673 -8.825 -2.973 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.307 -7.786 -1.930 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.931 -8.040 -1.339 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.869 -9.308 -0.615 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.763 -9.399 0.709 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.801 -8.307 1.461 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.652 -10.588 1.286 1.00 3.67 N ATOM 0 H ARG B 75 -6.559 -6.648 -3.984 1.00 0.56 H new ATOM 0 HA ARG B 75 -7.199 -9.440 -4.320 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.609 -9.815 -2.520 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.935 -8.793 -3.775 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.331 -6.794 -2.381 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -6.051 -7.792 -1.134 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.189 -8.042 -2.137 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.671 -7.225 -0.664 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.909 -10.173 -1.155 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.912 -7.391 1.025 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.719 -8.383 2.475 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -3.648 -11.433 0.715 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -3.571 -10.657 2.300 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.504 -7.685 -1.870 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.594 -7.675 -0.899 1.00 0.67 C ATOM 1627 C VAL B 76 -10.918 -8.020 -1.585 1.00 0.71 C ATOM 1628 O VAL B 76 -11.823 -8.570 -0.967 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.696 -6.304 -0.183 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.961 -6.195 0.653 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.477 -6.073 0.696 1.00 0.59 C ATOM 0 H VAL B 76 -8.052 -6.780 -2.003 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.380 -8.431 -0.144 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.737 -5.537 -0.956 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.994 -5.219 1.138 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.833 -6.310 0.010 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.964 -6.978 1.412 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.564 -5.106 1.192 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.415 -6.861 1.446 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.577 -6.086 0.081 1.00 0.59 H new ATOM 1641 N ARG B 77 -11.001 -7.740 -2.881 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.206 -8.046 -3.648 1.00 0.73 C ATOM 1643 C ARG B 77 -12.229 -9.517 -4.050 1.00 0.87 C ATOM 1644 O ARG B 77 -13.291 -10.111 -4.220 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.307 -7.168 -4.900 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.653 -5.719 -4.603 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.869 -4.915 -5.878 1.00 0.84 C ATOM 1648 NE ARG B 77 -11.663 -4.834 -6.706 1.00 1.38 N ATOM 1649 CZ ARG B 77 -11.405 -3.831 -7.548 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.283 -2.847 -7.702 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -10.275 -3.820 -8.248 1.00 2.73 N ATOM 0 H ARG B 77 -10.254 -7.304 -3.421 1.00 0.66 H new ATOM 0 HA ARG B 77 -13.063 -7.836 -3.008 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.358 -7.203 -5.435 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -13.064 -7.584 -5.565 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.554 -5.679 -3.991 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.851 -5.266 -4.020 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -13.673 -5.369 -6.457 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.194 -3.908 -5.617 1.00 0.84 H new ATOM 0 HE ARG B 77 -10.980 -5.589 -6.635 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -13.157 -2.856 -7.176 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.083 -2.082 -8.346 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -9.602 -4.579 -8.142 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -10.081 -3.052 -8.891 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.047 -10.103 -4.193 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.929 -11.484 -4.605 1.00 1.08 C ATOM 1667 C LYS B 78 -11.040 -12.410 -3.395 1.00 1.12 C ATOM 1668 O LYS B 78 -11.725 -13.433 -3.445 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.609 -11.672 -5.377 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.011 -13.066 -5.305 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.066 -13.187 -4.124 1.00 2.01 C ATOM 1672 CE LYS B 78 -6.703 -12.580 -4.424 1.00 2.67 C ATOM 1673 NZ LYS B 78 -5.753 -12.776 -3.297 1.00 3.44 N ATOM 0 H LYS B 78 -10.156 -9.635 -4.027 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.747 -11.748 -5.275 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.780 -11.421 -6.424 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.878 -10.960 -4.994 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.808 -13.804 -5.216 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -8.476 -13.285 -6.229 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -8.502 -12.690 -3.258 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.946 -14.238 -3.861 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -6.294 -13.033 -5.327 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -6.815 -11.514 -4.624 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -4.836 -12.349 -3.538 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.132 -12.323 -2.441 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -5.626 -13.793 -3.123 1.00 3.44 H new