USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 569 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 34 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 16 CYS SG : rot 180:sc= -0.253 USER MOD Set 2.2: A 19 CYS SG : rot -79:sc= 0.495 USER MOD Set 2.3: A 21 THR OG1 : rot 110:sc= 1.17 USER MOD Set 2.4: A 41 CYS SG : rot 169:sc= 0.176 USER MOD Set 2.5: A 43 HIS : no HD1:sc= 0 X(o=-0.83,f=-0.85) USER MOD Set 2.6: A 44 CYS SG : rot -68:sc= -2.41! USER MOD Set 3.1: A 23 SER OG : rot 75:sc= -0.0552 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.0692 K(o=-0.12,f=-1.1) USER MOD Set 4.1: A 11 MET CE :methyl -118:sc= -1.13 (180deg=-1.2) USER MOD Set 4.2: A 26 THR OG1 : rot 130:sc= -0.633 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -121:sc= -0.78 (180deg=-2.91!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0518) USER MOD Single : A 20 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.96) USER MOD Single : A 24 SER OG : rot 180:sc= 0.048 USER MOD Single : A 27 MET CE :methyl -156:sc= -2.89! (180deg=-4.72!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0163) USER MOD Single : A 30 GLN : amide:sc= -3.16 K(o=-3.2,f=-9.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -71:sc= -2.86! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0126 (180deg=-0.167) USER MOD Single : A 48 HIS : no HE2:sc= -3.45 X(o=-3.4,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ 133:sc= -0.317 (180deg=-1.67!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.05 F(o=-1.8,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=-0.0028) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 66 GLN : amide:sc= -0.806 K(o=-0.81,f=-1.4) USER MOD Single : A 68 MET CE :methyl -143:sc= 0 (180deg=-0.503) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.121 -20.019 -2.707 1.00 0.00 N ATOM 118 CA LYS A 9 -3.805 -20.832 -1.708 1.00 0.00 C ATOM 119 C LYS A 9 -2.812 -21.697 -0.938 1.00 0.00 C ATOM 120 O LYS A 9 -1.705 -21.956 -1.408 1.00 0.00 O ATOM 121 CB LYS A 9 -4.858 -21.718 -2.376 1.00 0.00 C ATOM 122 CG LYS A 9 -4.336 -22.480 -3.582 1.00 0.00 C ATOM 123 CD LYS A 9 -4.715 -21.791 -4.883 1.00 0.00 C ATOM 124 CE LYS A 9 -6.065 -22.269 -5.394 1.00 0.00 C ATOM 125 NZ LYS A 9 -5.931 -23.437 -6.308 1.00 0.00 N ATOM 0 HA LYS A 9 -4.297 -20.161 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.239 -22.430 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.699 -21.098 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.251 -22.567 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.738 -23.493 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.744 -20.712 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.950 -21.986 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.698 -22.540 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.564 -21.454 -5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.873 -23.732 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.348 -23.171 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.478 -24.224 -5.801 1.00 0.00 H new ATOM 139 N MET A 10 -3.217 -22.142 0.248 1.00 0.00 N ATOM 140 CA MET A 10 -2.363 -22.980 1.081 1.00 0.00 C ATOM 141 C MET A 10 -3.155 -24.139 1.678 1.00 0.00 C ATOM 142 O MET A 10 -4.343 -24.005 1.971 1.00 0.00 O ATOM 143 CB MET A 10 -1.732 -22.149 2.200 1.00 0.00 C ATOM 144 CG MET A 10 -2.708 -21.202 2.879 1.00 0.00 C ATOM 145 SD MET A 10 -2.080 -20.558 4.441 1.00 0.00 S ATOM 146 CE MET A 10 -2.930 -21.616 5.610 1.00 0.00 C ATOM 0 H MET A 10 -4.130 -21.936 0.653 1.00 0.00 H new ATOM 0 HA MET A 10 -1.572 -23.389 0.452 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.311 -22.821 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.904 -21.571 1.789 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.926 -20.370 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.649 -21.723 3.057 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.535 -21.005 6.280 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.575 -22.310 5.071 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.199 -22.177 6.191 1.00 0.00 H new ATOM 156 N MET A 11 -2.490 -25.275 1.855 1.00 0.00 N ATOM 157 CA MET A 11 -3.133 -26.457 2.418 1.00 0.00 C ATOM 158 C MET A 11 -2.947 -26.508 3.931 1.00 0.00 C ATOM 159 O MET A 11 -1.891 -26.145 4.449 1.00 0.00 O ATOM 160 CB MET A 11 -2.564 -27.726 1.780 1.00 0.00 C ATOM 161 CG MET A 11 -3.548 -28.884 1.748 1.00 0.00 C ATOM 162 SD MET A 11 -3.005 -30.228 0.677 1.00 0.00 S ATOM 163 CE MET A 11 -2.943 -29.395 -0.907 1.00 0.00 C ATOM 0 H MET A 11 -1.506 -25.403 1.617 1.00 0.00 H new ATOM 0 HA MET A 11 -4.200 -26.397 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.248 -27.500 0.762 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.674 -28.031 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.688 -29.265 2.760 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.518 -28.522 1.407 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.650 -29.862 -1.592 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.204 -28.345 -0.776 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.936 -29.470 -1.318 1.00 0.00 H new ATOM 173 N ILE A 12 -3.980 -26.960 4.634 1.00 0.00 N ATOM 174 CA ILE A 12 -3.930 -27.059 6.088 1.00 0.00 C ATOM 175 C ILE A 12 -4.798 -28.207 6.591 1.00 0.00 C ATOM 176 O ILE A 12 -5.996 -28.258 6.317 1.00 0.00 O ATOM 177 CB ILE A 12 -4.390 -25.750 6.757 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.710 -25.276 6.147 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.319 -24.678 6.615 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.731 -24.845 7.176 1.00 0.00 C ATOM 0 H ILE A 12 -4.862 -27.263 4.221 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.891 -27.249 6.356 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.550 -25.938 7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.511 -24.443 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.131 -26.080 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.659 -23.759 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.400 -25.017 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.131 -24.489 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.642 -24.522 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.959 -25.683 7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.329 -24.020 7.764 1.00 0.00 H new ATOM 192 N ALA A 13 -4.185 -29.125 7.331 1.00 0.00 N ATOM 193 CA ALA A 13 -4.902 -30.270 7.877 1.00 0.00 C ATOM 194 C ALA A 13 -5.261 -30.046 9.342 1.00 0.00 C ATOM 195 O ALA A 13 -4.429 -29.605 10.135 1.00 0.00 O ATOM 196 CB ALA A 13 -4.071 -31.536 7.723 1.00 0.00 C ATOM 0 H ALA A 13 -3.193 -29.098 7.566 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.830 -30.387 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.619 -32.383 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.870 -31.713 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.128 -31.419 8.257 1.00 0.00 H new ATOM 202 N PHE A 14 -6.505 -30.352 9.695 1.00 0.00 N ATOM 203 CA PHE A 14 -6.975 -30.182 11.065 1.00 0.00 C ATOM 204 C PHE A 14 -7.650 -31.454 11.570 1.00 0.00 C ATOM 205 O PHE A 14 -8.418 -32.092 10.849 1.00 0.00 O ATOM 206 CB PHE A 14 -7.949 -29.005 11.151 1.00 0.00 C ATOM 207 CG PHE A 14 -9.392 -29.418 11.119 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.051 -29.591 9.912 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.091 -29.635 12.296 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.379 -29.970 9.880 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.419 -30.015 12.270 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.064 -30.184 11.060 1.00 0.00 C ATOM 0 H PHE A 14 -7.206 -30.719 9.051 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.111 -29.975 11.696 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.758 -28.452 12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.756 -28.323 10.323 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.520 -29.428 8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.592 -29.505 13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.881 -30.099 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.952 -30.180 13.195 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.102 -30.483 11.037 1.00 0.00 H new ATOM 222 N THR A 15 -7.358 -31.818 12.815 1.00 0.00 N ATOM 223 CA THR A 15 -7.934 -33.013 13.417 1.00 0.00 C ATOM 224 C THR A 15 -9.324 -32.732 13.976 1.00 0.00 C ATOM 225 O THR A 15 -9.471 -32.013 14.966 1.00 0.00 O ATOM 226 CB THR A 15 -7.040 -33.561 14.546 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.660 -33.372 14.213 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.313 -35.039 14.783 1.00 0.00 C ATOM 0 H THR A 15 -6.725 -31.301 13.426 1.00 0.00 H new ATOM 0 HA THR A 15 -8.007 -33.760 12.627 1.00 0.00 H new ATOM 0 HB THR A 15 -7.270 -33.014 15.461 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.098 -33.721 14.936 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.670 -35.404 15.584 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.357 -35.176 15.065 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.107 -35.598 13.870 1.00 0.00 H new ATOM 236 N CYS A 16 -10.340 -33.301 13.338 1.00 0.00 N ATOM 237 CA CYS A 16 -11.719 -33.111 13.773 1.00 0.00 C ATOM 238 C CYS A 16 -11.969 -33.803 15.109 1.00 0.00 C ATOM 239 O CYS A 16 -12.004 -35.031 15.188 1.00 0.00 O ATOM 240 CB CYS A 16 -12.687 -33.649 12.718 1.00 0.00 C ATOM 241 SG CYS A 16 -14.398 -33.109 12.942 1.00 0.00 S ATOM 0 H CYS A 16 -10.235 -33.898 12.518 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.889 -32.042 13.901 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.344 -33.335 11.732 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.656 -34.738 12.734 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.139 -33.613 12.001 1.00 0.00 H new ATOM 246 N LYS A 17 -12.140 -33.006 16.159 1.00 0.00 N ATOM 247 CA LYS A 17 -12.386 -33.540 17.493 1.00 0.00 C ATOM 248 C LYS A 17 -13.784 -34.143 17.589 1.00 0.00 C ATOM 249 O LYS A 17 -14.115 -34.817 18.564 1.00 0.00 O ATOM 250 CB LYS A 17 -12.219 -32.440 18.544 1.00 0.00 C ATOM 251 CG LYS A 17 -13.287 -31.363 18.470 1.00 0.00 C ATOM 252 CD LYS A 17 -13.078 -30.296 19.532 1.00 0.00 C ATOM 253 CE LYS A 17 -14.031 -29.126 19.343 1.00 0.00 C ATOM 254 NZ LYS A 17 -13.800 -28.054 20.351 1.00 0.00 N ATOM 0 H LYS A 17 -12.113 -31.987 16.111 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.657 -34.328 17.682 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.237 -32.891 19.536 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.239 -31.978 18.422 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.272 -30.902 17.482 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.271 -31.815 18.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.226 -30.731 20.520 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.049 -29.938 19.492 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.907 -28.715 18.341 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.059 -29.479 19.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.469 -27.275 20.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.943 -28.439 21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.827 -27.699 20.263 1.00 0.00 H new ATOM 268 N LYS A 18 -14.601 -33.896 16.570 1.00 0.00 N ATOM 269 CA LYS A 18 -15.963 -34.416 16.538 1.00 0.00 C ATOM 270 C LYS A 18 -15.964 -35.923 16.303 1.00 0.00 C ATOM 271 O LYS A 18 -16.481 -36.687 17.120 1.00 0.00 O ATOM 272 CB LYS A 18 -16.771 -33.717 15.442 1.00 0.00 C ATOM 273 CG LYS A 18 -18.274 -33.815 15.639 1.00 0.00 C ATOM 274 CD LYS A 18 -18.990 -32.596 15.080 1.00 0.00 C ATOM 275 CE LYS A 18 -19.091 -31.487 16.116 1.00 0.00 C ATOM 276 NZ LYS A 18 -20.129 -31.779 17.142 1.00 0.00 N ATOM 0 H LYS A 18 -14.343 -33.339 15.755 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.425 -34.217 17.505 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.485 -32.666 15.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.510 -34.151 14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.648 -34.714 15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.497 -33.914 16.701 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.456 -32.229 14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.989 -32.879 14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.125 -31.357 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.327 -30.546 15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.311 -30.924 17.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.007 -32.077 16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.795 -32.540 17.767 1.00 0.00 H new ATOM 290 N CYS A 19 -15.383 -36.343 15.185 1.00 0.00 N ATOM 291 CA CYS A 19 -15.317 -37.760 14.844 1.00 0.00 C ATOM 292 C CYS A 19 -13.870 -38.241 14.797 1.00 0.00 C ATOM 293 O CYS A 19 -13.562 -39.251 14.166 1.00 0.00 O ATOM 294 CB CYS A 19 -15.996 -38.014 13.497 1.00 0.00 C ATOM 295 SG CYS A 19 -15.444 -36.913 12.173 1.00 0.00 S ATOM 0 H CYS A 19 -14.951 -35.723 14.499 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.842 -38.320 15.618 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.811 -39.046 13.198 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.074 -37.906 13.619 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.034 -35.761 12.292 1.00 0.00 H new ATOM 300 N ASN A 20 -12.987 -37.509 15.468 1.00 0.00 N ATOM 301 CA ASN A 20 -11.572 -37.860 15.500 1.00 0.00 C ATOM 302 C ASN A 20 -11.051 -38.151 14.096 1.00 0.00 C ATOM 303 O ASN A 20 -10.201 -39.022 13.904 1.00 0.00 O ATOM 304 CB ASN A 20 -11.347 -39.076 16.402 1.00 0.00 C ATOM 305 CG ASN A 20 -9.878 -39.314 16.696 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.249 -40.189 16.102 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.326 -38.533 17.618 1.00 0.00 N ATOM 0 H ASN A 20 -13.226 -36.670 15.996 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.022 -37.010 15.903 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.884 -38.934 17.340 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.767 -39.961 15.925 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.341 -38.646 17.859 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.887 -37.820 18.085 1.00 0.00 H new ATOM 314 N THR A 21 -11.565 -37.415 13.115 1.00 0.00 N ATOM 315 CA THR A 21 -11.153 -37.594 11.729 1.00 0.00 C ATOM 316 C THR A 21 -10.299 -36.424 11.254 1.00 0.00 C ATOM 317 O THR A 21 -10.658 -35.263 11.448 1.00 0.00 O ATOM 318 CB THR A 21 -12.370 -37.740 10.796 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.168 -38.857 11.201 1.00 0.00 O ATOM 320 CG2 THR A 21 -11.926 -37.924 9.352 1.00 0.00 C ATOM 0 H THR A 21 -12.268 -36.689 13.256 1.00 0.00 H new ATOM 0 HA THR A 21 -10.563 -38.510 11.690 1.00 0.00 H new ATOM 0 HB THR A 21 -12.963 -36.828 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.013 -38.535 11.578 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.802 -38.025 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.344 -37.058 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.313 -38.821 9.271 1.00 0.00 H new ATOM 328 N ARG A 22 -9.169 -36.738 10.630 1.00 0.00 N ATOM 329 CA ARG A 22 -8.263 -35.711 10.127 1.00 0.00 C ATOM 330 C ARG A 22 -8.370 -35.588 8.610 1.00 0.00 C ATOM 331 O ARG A 22 -8.403 -36.590 7.896 1.00 0.00 O ATOM 332 CB ARG A 22 -6.821 -36.035 10.523 1.00 0.00 C ATOM 333 CG ARG A 22 -5.946 -34.805 10.695 1.00 0.00 C ATOM 334 CD ARG A 22 -5.227 -34.448 9.404 1.00 0.00 C ATOM 335 NE ARG A 22 -3.927 -35.107 9.301 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.286 -35.291 8.152 1.00 0.00 C ATOM 337 NH1 ARG A 22 -3.820 -34.869 7.015 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.107 -35.900 8.140 1.00 0.00 N ATOM 0 H ARG A 22 -8.858 -37.695 10.460 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.550 -34.758 10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.827 -36.599 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.381 -36.680 9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.559 -33.963 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.214 -34.985 11.483 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.846 -34.733 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.091 -33.368 9.352 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.488 -35.444 10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.726 -34.401 7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.325 -35.012 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.693 -36.227 9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.615 -36.041 7.258 1.00 0.00 H new ATOM 352 N SER A 23 -8.425 -34.351 8.125 1.00 0.00 N ATOM 353 CA SER A 23 -8.533 -34.096 6.694 1.00 0.00 C ATOM 354 C SER A 23 -7.818 -32.802 6.317 1.00 0.00 C ATOM 355 O SER A 23 -7.737 -31.869 7.116 1.00 0.00 O ATOM 356 CB SER A 23 -10.003 -34.019 6.277 1.00 0.00 C ATOM 357 OG SER A 23 -10.754 -33.246 7.198 1.00 0.00 O ATOM 0 H SER A 23 -8.397 -33.511 8.702 1.00 0.00 H new ATOM 0 HA SER A 23 -8.056 -34.922 6.166 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.080 -33.581 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.420 -35.024 6.216 1.00 0.00 H new ATOM 0 HG SER A 23 -10.559 -32.295 7.063 1.00 0.00 H new ATOM 363 N SER A 24 -7.301 -32.754 5.093 1.00 0.00 N ATOM 364 CA SER A 24 -6.588 -31.577 4.611 1.00 0.00 C ATOM 365 C SER A 24 -7.488 -30.724 3.722 1.00 0.00 C ATOM 366 O SER A 24 -8.328 -31.245 2.986 1.00 0.00 O ATOM 367 CB SER A 24 -5.336 -31.994 3.837 1.00 0.00 C ATOM 368 OG SER A 24 -5.403 -33.357 3.455 1.00 0.00 O ATOM 0 H SER A 24 -7.363 -33.516 4.418 1.00 0.00 H new ATOM 0 HA SER A 24 -6.291 -30.983 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.228 -31.369 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.452 -31.829 4.453 1.00 0.00 H new ATOM 0 HG SER A 24 -4.592 -33.598 2.960 1.00 0.00 H new ATOM 374 N HIS A 25 -7.307 -29.409 3.794 1.00 0.00 N ATOM 375 CA HIS A 25 -8.102 -28.482 2.996 1.00 0.00 C ATOM 376 C HIS A 25 -7.246 -27.320 2.501 1.00 0.00 C ATOM 377 O HIS A 25 -6.495 -26.717 3.268 1.00 0.00 O ATOM 378 CB HIS A 25 -9.279 -27.952 3.814 1.00 0.00 C ATOM 379 CG HIS A 25 -9.880 -28.973 4.731 1.00 0.00 C ATOM 380 ND1 HIS A 25 -10.992 -29.718 4.402 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.516 -29.371 5.972 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.287 -30.530 5.402 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.406 -30.339 6.367 1.00 0.00 N ATOM 0 H HIS A 25 -6.617 -28.961 4.397 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.486 -29.022 2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.946 -27.098 4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.049 -27.589 3.134 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.507 -29.653 3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.681 -28.997 6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.109 -31.231 5.426 1.00 0.00 H new ATOM 391 N THR A 26 -7.365 -27.011 1.213 1.00 0.00 N ATOM 392 CA THR A 26 -6.601 -25.923 0.616 1.00 0.00 C ATOM 393 C THR A 26 -7.497 -24.728 0.307 1.00 0.00 C ATOM 394 O THR A 26 -8.481 -24.850 -0.421 1.00 0.00 O ATOM 395 CB THR A 26 -5.901 -26.374 -0.680 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.529 -27.753 -0.582 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.666 -25.528 -0.950 1.00 0.00 C ATOM 0 H THR A 26 -7.983 -27.499 0.564 1.00 0.00 H new ATOM 0 HA THR A 26 -5.846 -25.629 1.345 1.00 0.00 H new ATOM 0 HB THR A 26 -6.599 -26.245 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.840 -28.233 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.188 -25.865 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.957 -24.483 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.967 -25.630 -0.120 1.00 0.00 H new ATOM 405 N MET A 27 -7.148 -23.573 0.864 1.00 0.00 N ATOM 406 CA MET A 27 -7.920 -22.356 0.646 1.00 0.00 C ATOM 407 C MET A 27 -6.998 -21.159 0.432 1.00 0.00 C ATOM 408 O MET A 27 -5.813 -21.210 0.759 1.00 0.00 O ATOM 409 CB MET A 27 -8.847 -22.094 1.834 1.00 0.00 C ATOM 410 CG MET A 27 -8.109 -21.720 3.110 1.00 0.00 C ATOM 411 SD MET A 27 -7.535 -23.161 4.028 1.00 0.00 S ATOM 412 CE MET A 27 -9.091 -23.961 4.410 1.00 0.00 C ATOM 0 H MET A 27 -6.336 -23.455 1.469 1.00 0.00 H new ATOM 0 HA MET A 27 -8.523 -22.494 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.538 -21.292 1.575 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.448 -22.985 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.256 -21.090 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.767 -21.128 3.746 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.970 -24.590 5.292 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.851 -23.204 4.605 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.401 -24.577 3.565 1.00 0.00 H new ATOM 422 N SER A 28 -7.551 -20.083 -0.120 1.00 0.00 N ATOM 423 CA SER A 28 -6.777 -18.875 -0.382 1.00 0.00 C ATOM 424 C SER A 28 -6.129 -18.358 0.899 1.00 0.00 C ATOM 425 O SER A 28 -6.807 -18.108 1.896 1.00 0.00 O ATOM 426 CB SER A 28 -7.672 -17.792 -0.987 1.00 0.00 C ATOM 427 OG SER A 28 -7.910 -18.037 -2.362 1.00 0.00 O ATOM 0 H SER A 28 -8.532 -20.023 -0.394 1.00 0.00 H new ATOM 0 HA SER A 28 -5.989 -19.124 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.620 -17.758 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.202 -16.816 -0.864 1.00 0.00 H new ATOM 0 HG SER A 28 -8.486 -17.332 -2.725 1.00 0.00 H new ATOM 433 N LYS A 29 -4.810 -18.199 0.864 1.00 0.00 N ATOM 434 CA LYS A 29 -4.067 -17.711 2.019 1.00 0.00 C ATOM 435 C LYS A 29 -4.546 -16.321 2.427 1.00 0.00 C ATOM 436 O LYS A 29 -4.558 -15.982 3.610 1.00 0.00 O ATOM 437 CB LYS A 29 -2.568 -17.674 1.710 1.00 0.00 C ATOM 438 CG LYS A 29 -2.180 -16.599 0.710 1.00 0.00 C ATOM 439 CD LYS A 29 -1.768 -15.313 1.407 1.00 0.00 C ATOM 440 CE LYS A 29 -0.685 -14.580 0.630 1.00 0.00 C ATOM 441 NZ LYS A 29 0.647 -15.228 0.789 1.00 0.00 N ATOM 0 H LYS A 29 -4.234 -18.401 0.047 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.244 -18.396 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.018 -17.512 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.261 -18.646 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.358 -16.957 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.019 -16.400 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.637 -14.665 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.407 -15.541 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.952 -14.552 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.629 -13.546 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.379 -14.627 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.853 -15.354 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.640 -16.155 0.319 1.00 0.00 H new ATOM 455 N GLN A 30 -4.942 -15.524 1.440 1.00 0.00 N ATOM 456 CA GLN A 30 -5.423 -14.172 1.697 1.00 0.00 C ATOM 457 C GLN A 30 -6.771 -14.200 2.410 1.00 0.00 C ATOM 458 O GLN A 30 -7.036 -13.382 3.290 1.00 0.00 O ATOM 459 CB GLN A 30 -5.542 -13.392 0.387 1.00 0.00 C ATOM 460 CG GLN A 30 -5.114 -11.938 0.503 1.00 0.00 C ATOM 461 CD GLN A 30 -5.617 -11.281 1.773 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.936 -11.284 2.800 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.816 -10.713 1.712 1.00 0.00 N ATOM 0 H GLN A 30 -4.939 -15.791 0.456 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.701 -13.674 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.934 -13.881 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.576 -13.431 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.026 -11.880 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.485 -11.384 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.346 -10.734 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.206 -10.256 2.536 1.00 0.00 H new ATOM 472 N ALA A 31 -7.620 -15.147 2.023 1.00 0.00 N ATOM 473 CA ALA A 31 -8.940 -15.282 2.626 1.00 0.00 C ATOM 474 C ALA A 31 -8.843 -15.854 4.037 1.00 0.00 C ATOM 475 O ALA A 31 -9.616 -15.485 4.921 1.00 0.00 O ATOM 476 CB ALA A 31 -9.828 -16.162 1.759 1.00 0.00 C ATOM 0 H ALA A 31 -7.417 -15.832 1.295 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.385 -14.289 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.811 -16.254 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.932 -15.713 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.378 -17.150 1.663 1.00 0.00 H new ATOM 482 N TYR A 32 -7.889 -16.756 4.240 1.00 0.00 N ATOM 483 CA TYR A 32 -7.693 -17.380 5.543 1.00 0.00 C ATOM 484 C TYR A 32 -6.999 -16.424 6.507 1.00 0.00 C ATOM 485 O TYR A 32 -7.432 -16.250 7.645 1.00 0.00 O ATOM 486 CB TYR A 32 -6.872 -18.663 5.399 1.00 0.00 C ATOM 487 CG TYR A 32 -6.489 -19.288 6.721 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.353 -18.871 7.406 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.261 -20.296 7.286 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.999 -19.440 8.614 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.915 -20.869 8.494 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.783 -20.438 9.154 1.00 0.00 C ATOM 493 OH TYR A 32 -5.434 -21.008 10.357 1.00 0.00 O ATOM 0 H TYR A 32 -7.240 -17.071 3.519 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.674 -17.628 5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.443 -19.386 4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.966 -18.443 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.737 -18.089 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.147 -20.637 6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.113 -19.105 9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.527 -21.650 8.920 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.092 -21.694 10.597 1.00 0.00 H new ATOM 503 N GLU A 33 -5.918 -15.805 6.041 1.00 0.00 N ATOM 504 CA GLU A 33 -5.163 -14.866 6.861 1.00 0.00 C ATOM 505 C GLU A 33 -5.912 -13.543 7.003 1.00 0.00 C ATOM 506 O GLU A 33 -5.741 -12.822 7.986 1.00 0.00 O ATOM 507 CB GLU A 33 -3.781 -14.619 6.253 1.00 0.00 C ATOM 508 CG GLU A 33 -2.868 -15.832 6.305 1.00 0.00 C ATOM 509 CD GLU A 33 -1.399 -15.460 6.253 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.010 -14.485 6.930 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.639 -16.141 5.534 1.00 0.00 O ATOM 0 H GLU A 33 -5.546 -15.937 5.100 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.043 -15.304 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.900 -14.309 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.304 -13.793 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.065 -16.391 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.101 -16.493 5.471 1.00 0.00 H new ATOM 518 N LYS A 34 -6.742 -13.231 6.014 1.00 0.00 N ATOM 519 CA LYS A 34 -7.518 -11.997 6.026 1.00 0.00 C ATOM 520 C LYS A 34 -8.932 -12.238 5.508 1.00 0.00 C ATOM 521 O LYS A 34 -9.283 -11.809 4.410 1.00 0.00 O ATOM 522 CB LYS A 34 -6.828 -10.927 5.177 1.00 0.00 C ATOM 523 CG LYS A 34 -5.412 -10.613 5.628 1.00 0.00 C ATOM 524 CD LYS A 34 -5.403 -9.707 6.847 1.00 0.00 C ATOM 525 CE LYS A 34 -4.284 -10.077 7.809 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.571 -9.618 9.196 1.00 0.00 N ATOM 0 H LYS A 34 -6.895 -13.817 5.193 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.582 -11.648 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.805 -11.258 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.421 -10.013 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.889 -11.541 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.868 -10.134 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.284 -8.671 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.362 -9.776 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.145 -11.158 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.349 -9.634 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.678 -9.510 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.066 -8.704 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.170 -10.319 9.677 1.00 0.00 H new ATOM 540 N GLY A 35 -9.741 -12.928 6.307 1.00 0.00 N ATOM 541 CA GLY A 35 -11.108 -13.213 5.912 1.00 0.00 C ATOM 542 C GLY A 35 -11.656 -14.460 6.577 1.00 0.00 C ATOM 543 O GLY A 35 -10.993 -15.066 7.419 1.00 0.00 O ATOM 0 H GLY A 35 -9.474 -13.294 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.741 -12.362 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.153 -13.333 4.830 1.00 0.00 H new ATOM 547 N THR A 36 -12.871 -14.844 6.199 1.00 0.00 N ATOM 548 CA THR A 36 -13.509 -16.026 6.767 1.00 0.00 C ATOM 549 C THR A 36 -13.237 -17.260 5.915 1.00 0.00 C ATOM 550 O THR A 36 -13.165 -17.177 4.689 1.00 0.00 O ATOM 551 CB THR A 36 -15.032 -15.833 6.899 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.331 -14.455 7.152 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.591 -16.693 8.022 1.00 0.00 C ATOM 0 H THR A 36 -13.433 -14.354 5.503 1.00 0.00 H new ATOM 0 HA THR A 36 -13.081 -16.171 7.759 1.00 0.00 H new ATOM 0 HB THR A 36 -15.498 -16.139 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.051 -14.221 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.668 -16.540 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.387 -17.743 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.119 -16.413 8.964 1.00 0.00 H new ATOM 561 N VAL A 37 -13.086 -18.406 6.572 1.00 0.00 N ATOM 562 CA VAL A 37 -12.824 -19.659 5.875 1.00 0.00 C ATOM 563 C VAL A 37 -13.606 -20.809 6.498 1.00 0.00 C ATOM 564 O VAL A 37 -13.522 -21.051 7.703 1.00 0.00 O ATOM 565 CB VAL A 37 -11.323 -20.005 5.889 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.584 -19.226 4.812 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.726 -19.730 7.261 1.00 0.00 C ATOM 0 H VAL A 37 -13.141 -18.492 7.587 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.148 -19.521 4.843 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.212 -21.068 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.525 -19.484 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.995 -19.478 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.701 -18.157 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.665 -19.980 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.848 -18.675 7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.236 -20.338 8.008 1.00 0.00 H new ATOM 577 N LEU A 38 -14.366 -21.517 5.671 1.00 0.00 N ATOM 578 CA LEU A 38 -15.164 -22.645 6.140 1.00 0.00 C ATOM 579 C LEU A 38 -14.779 -23.927 5.409 1.00 0.00 C ATOM 580 O LEU A 38 -14.793 -23.979 4.179 1.00 0.00 O ATOM 581 CB LEU A 38 -16.654 -22.359 5.942 1.00 0.00 C ATOM 582 CG LEU A 38 -17.311 -21.463 6.992 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.149 -22.062 8.381 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.721 -20.061 6.942 1.00 0.00 C ATOM 0 H LEU A 38 -14.447 -21.330 4.672 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.965 -22.781 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.788 -21.897 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.186 -23.310 5.921 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.376 -21.395 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.623 -21.411 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.619 -23.045 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.089 -22.160 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.201 -19.437 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.650 -20.110 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.889 -19.631 5.955 1.00 0.00 H new ATOM 596 N ILE A 39 -14.437 -24.958 6.174 1.00 0.00 N ATOM 597 CA ILE A 39 -14.052 -26.241 5.598 1.00 0.00 C ATOM 598 C ILE A 39 -14.963 -27.360 6.090 1.00 0.00 C ATOM 599 O ILE A 39 -15.416 -27.348 7.235 1.00 0.00 O ATOM 600 CB ILE A 39 -12.592 -26.595 5.939 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.325 -26.371 7.429 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.635 -25.768 5.093 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.319 -27.337 8.015 1.00 0.00 C ATOM 0 H ILE A 39 -14.419 -24.930 7.193 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.151 -26.144 4.517 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.427 -27.649 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.967 -25.352 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.264 -26.461 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.607 -26.029 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.813 -25.973 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.798 -24.708 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.179 -27.119 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.684 -28.357 7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.367 -27.231 7.494 1.00 0.00 H new ATOM 615 N SER A 40 -15.227 -28.328 5.218 1.00 0.00 N ATOM 616 CA SER A 40 -16.085 -29.454 5.563 1.00 0.00 C ATOM 617 C SER A 40 -15.260 -30.717 5.792 1.00 0.00 C ATOM 618 O SER A 40 -14.349 -31.024 5.023 1.00 0.00 O ATOM 619 CB SER A 40 -17.112 -29.698 4.455 1.00 0.00 C ATOM 620 OG SER A 40 -17.510 -31.057 4.419 1.00 0.00 O ATOM 0 H SER A 40 -14.859 -28.354 4.267 1.00 0.00 H new ATOM 0 HA SER A 40 -16.608 -29.209 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.984 -29.065 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.687 -29.415 3.492 1.00 0.00 H new ATOM 0 HG SER A 40 -18.167 -31.186 3.704 1.00 0.00 H new ATOM 626 N CYS A 41 -15.584 -31.443 6.856 1.00 0.00 N ATOM 627 CA CYS A 41 -14.873 -32.672 7.189 1.00 0.00 C ATOM 628 C CYS A 41 -15.475 -33.865 6.454 1.00 0.00 C ATOM 629 O CYS A 41 -16.650 -34.196 6.614 1.00 0.00 O ATOM 630 CB CYS A 41 -14.912 -32.915 8.699 1.00 0.00 C ATOM 631 SG CYS A 41 -14.247 -34.519 9.205 1.00 0.00 S ATOM 0 H CYS A 41 -16.335 -31.202 7.503 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.836 -32.560 6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.349 -32.126 9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -15.943 -32.836 9.043 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.103 -34.541 10.497 1.00 0.00 H new ATOM 636 N PRO A 42 -14.653 -34.526 5.626 1.00 0.00 N ATOM 637 CA PRO A 42 -15.082 -35.692 4.849 1.00 0.00 C ATOM 638 C PRO A 42 -15.339 -36.912 5.727 1.00 0.00 C ATOM 639 O PRO A 42 -14.620 -37.909 5.648 1.00 0.00 O ATOM 640 CB PRO A 42 -13.900 -35.948 3.910 1.00 0.00 C ATOM 641 CG PRO A 42 -12.723 -35.373 4.619 1.00 0.00 C ATOM 642 CD PRO A 42 -13.240 -34.187 5.386 1.00 0.00 C ATOM 0 HA PRO A 42 -16.024 -35.512 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.767 -37.013 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.052 -35.470 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.275 -36.106 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.950 -35.073 3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.697 -34.045 6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.140 -33.264 4.815 1.00 0.00 H new ATOM 650 N HIS A 43 -16.369 -36.828 6.563 1.00 0.00 N ATOM 651 CA HIS A 43 -16.721 -37.926 7.456 1.00 0.00 C ATOM 652 C HIS A 43 -18.017 -37.625 8.202 1.00 0.00 C ATOM 653 O HIS A 43 -19.032 -38.293 7.998 1.00 0.00 O ATOM 654 CB HIS A 43 -15.591 -38.182 8.454 1.00 0.00 C ATOM 655 CG HIS A 43 -15.619 -39.556 9.050 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.260 -40.688 8.349 1.00 0.00 N ATOM 657 CD2 HIS A 43 -15.964 -39.976 10.290 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.384 -41.745 9.131 1.00 0.00 C ATOM 659 NE2 HIS A 43 -15.810 -41.340 10.315 1.00 0.00 N ATOM 0 H HIS A 43 -16.974 -36.011 6.641 1.00 0.00 H new ATOM 0 HA HIS A 43 -16.870 -38.820 6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.634 -38.031 7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.651 -37.446 9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.298 -39.354 11.107 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.173 -42.767 8.851 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.994 -41.943 11.117 1.00 0.00 H new ATOM 667 N CYS A 44 -17.975 -36.618 9.068 1.00 0.00 N ATOM 668 CA CYS A 44 -19.146 -36.230 9.846 1.00 0.00 C ATOM 669 C CYS A 44 -20.067 -35.328 9.031 1.00 0.00 C ATOM 670 O CYS A 44 -21.205 -35.068 9.421 1.00 0.00 O ATOM 671 CB CYS A 44 -18.718 -35.516 11.129 1.00 0.00 C ATOM 672 SG CYS A 44 -17.699 -34.049 10.852 1.00 0.00 S ATOM 0 H CYS A 44 -17.143 -36.056 9.249 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.693 -37.136 10.108 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.609 -35.226 11.686 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.165 -36.216 11.755 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.545 -34.407 10.372 1.00 0.00 H new ATOM 677 N LYS A 45 -19.566 -34.851 7.896 1.00 0.00 N ATOM 678 CA LYS A 45 -20.341 -33.977 7.025 1.00 0.00 C ATOM 679 C LYS A 45 -20.804 -32.732 7.775 1.00 0.00 C ATOM 680 O LYS A 45 -21.911 -32.694 8.312 1.00 0.00 O ATOM 681 CB LYS A 45 -21.552 -34.726 6.463 1.00 0.00 C ATOM 682 CG LYS A 45 -22.049 -34.172 5.139 1.00 0.00 C ATOM 683 CD LYS A 45 -23.260 -34.938 4.634 1.00 0.00 C ATOM 684 CE LYS A 45 -23.792 -34.348 3.337 1.00 0.00 C ATOM 685 NZ LYS A 45 -22.787 -34.421 2.241 1.00 0.00 N ATOM 0 H LYS A 45 -18.626 -35.056 7.558 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.699 -33.666 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.291 -35.776 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.363 -34.687 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.306 -33.120 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.250 -34.223 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.991 -35.983 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.044 -34.921 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.694 -34.882 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.076 -33.308 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.242 -34.185 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.019 -33.746 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.397 -35.384 2.191 1.00 0.00 H new ATOM 699 N VAL A 46 -19.949 -31.714 7.807 1.00 0.00 N ATOM 700 CA VAL A 46 -20.272 -30.466 8.489 1.00 0.00 C ATOM 701 C VAL A 46 -19.173 -29.429 8.286 1.00 0.00 C ATOM 702 O VAL A 46 -17.993 -29.769 8.202 1.00 0.00 O ATOM 703 CB VAL A 46 -20.480 -30.689 9.998 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.155 -30.993 10.681 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.148 -29.477 10.629 1.00 0.00 C ATOM 0 H VAL A 46 -19.028 -31.729 7.369 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.200 -30.098 8.053 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.137 -31.548 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.322 -31.148 11.747 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.720 -31.894 10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.472 -30.156 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.287 -29.652 11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.519 -28.599 10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.117 -29.310 10.159 1.00 0.00 H new ATOM 715 N ARG A 47 -19.569 -28.163 8.209 1.00 0.00 N ATOM 716 CA ARG A 47 -18.617 -27.075 8.016 1.00 0.00 C ATOM 717 C ARG A 47 -18.181 -26.490 9.356 1.00 0.00 C ATOM 718 O ARG A 47 -19.004 -26.259 10.242 1.00 0.00 O ATOM 719 CB ARG A 47 -19.233 -25.979 7.145 1.00 0.00 C ATOM 720 CG ARG A 47 -19.977 -26.512 5.931 1.00 0.00 C ATOM 721 CD ARG A 47 -19.812 -25.594 4.730 1.00 0.00 C ATOM 722 NE ARG A 47 -20.830 -25.837 3.711 1.00 0.00 N ATOM 723 CZ ARG A 47 -20.766 -25.349 2.477 1.00 0.00 C ATOM 724 NH1 ARG A 47 -19.738 -24.596 2.111 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.731 -25.615 1.606 1.00 0.00 N ATOM 0 H ARG A 47 -20.542 -27.865 8.277 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.739 -27.479 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.920 -25.388 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.444 -25.306 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.607 -27.507 5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -21.036 -26.616 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.867 -24.556 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.823 -25.739 4.296 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.634 -26.413 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.994 -24.390 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.691 -24.223 1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.523 -26.195 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -21.681 -25.240 0.659 1.00 0.00 H new ATOM 739 N HIS A 48 -16.880 -26.253 9.497 1.00 0.00 N ATOM 740 CA HIS A 48 -16.334 -25.695 10.728 1.00 0.00 C ATOM 741 C HIS A 48 -15.492 -24.456 10.437 1.00 0.00 C ATOM 742 O HIS A 48 -14.887 -24.341 9.370 1.00 0.00 O ATOM 743 CB HIS A 48 -15.489 -26.741 11.456 1.00 0.00 C ATOM 744 CG HIS A 48 -15.365 -28.034 10.712 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.212 -29.103 10.914 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.486 -28.427 9.761 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.859 -30.098 10.120 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.815 -29.714 9.409 1.00 0.00 N ATOM 0 H HIS A 48 -16.185 -26.439 8.774 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.168 -25.404 11.367 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.493 -26.334 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.929 -26.935 12.434 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -16.990 -29.123 11.574 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.677 -27.839 9.354 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.342 -31.062 10.062 1.00 0.00 H new ATOM 756 N LEU A 49 -15.458 -23.533 11.391 1.00 0.00 N ATOM 757 CA LEU A 49 -14.690 -22.301 11.237 1.00 0.00 C ATOM 758 C LEU A 49 -13.227 -22.521 11.609 1.00 0.00 C ATOM 759 O LEU A 49 -12.923 -23.143 12.627 1.00 0.00 O ATOM 760 CB LEU A 49 -15.288 -21.193 12.104 1.00 0.00 C ATOM 761 CG LEU A 49 -14.488 -19.891 12.176 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.648 -19.095 10.890 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.923 -19.063 13.376 1.00 0.00 C ATOM 0 H LEU A 49 -15.953 -23.613 12.279 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.738 -22.000 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.285 -20.963 11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.410 -21.577 13.117 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.434 -20.141 12.296 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.072 -18.172 10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.286 -19.686 10.049 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.701 -18.855 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.343 -18.141 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.982 -18.823 13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.755 -19.632 14.291 1.00 0.00 H new ATOM 775 N ILE A 50 -12.327 -22.006 10.778 1.00 0.00 N ATOM 776 CA ILE A 50 -10.897 -22.143 11.022 1.00 0.00 C ATOM 777 C ILE A 50 -10.253 -20.789 11.297 1.00 0.00 C ATOM 778 O ILE A 50 -9.369 -20.670 12.145 1.00 0.00 O ATOM 779 CB ILE A 50 -10.183 -22.805 9.828 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.115 -22.859 8.616 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.710 -24.202 10.202 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.424 -23.294 7.342 1.00 0.00 C ATOM 0 H ILE A 50 -12.563 -21.490 9.930 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.787 -22.780 11.900 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.311 -22.206 9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.934 -23.546 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.556 -21.874 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.208 -24.657 9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.016 -24.139 11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.567 -24.813 10.486 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.145 -23.310 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.622 -22.594 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.007 -24.292 7.477 1.00 0.00 H new ATOM 794 N ALA A 51 -10.705 -19.768 10.575 1.00 0.00 N ATOM 795 CA ALA A 51 -10.176 -18.420 10.744 1.00 0.00 C ATOM 796 C ALA A 51 -11.244 -17.371 10.453 1.00 0.00 C ATOM 797 O ALA A 51 -11.510 -17.048 9.295 1.00 0.00 O ATOM 798 CB ALA A 51 -8.968 -18.210 9.844 1.00 0.00 C ATOM 0 H ALA A 51 -11.436 -19.849 9.868 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.865 -18.306 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.584 -17.199 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.192 -18.931 10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.261 -18.349 8.803 1.00 0.00 H new ATOM 804 N ASP A 52 -11.852 -16.843 11.509 1.00 0.00 N ATOM 805 CA ASP A 52 -12.891 -15.830 11.366 1.00 0.00 C ATOM 806 C ASP A 52 -12.300 -14.428 11.466 1.00 0.00 C ATOM 807 O ASP A 52 -11.856 -14.004 12.533 1.00 0.00 O ATOM 808 CB ASP A 52 -13.969 -16.020 12.435 1.00 0.00 C ATOM 809 CG ASP A 52 -14.803 -14.771 12.644 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.562 -14.404 11.724 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.695 -14.160 13.729 1.00 0.00 O ATOM 0 H ASP A 52 -11.643 -17.100 12.474 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.343 -15.945 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.621 -16.845 12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.497 -16.300 13.377 1.00 0.00 H new ATOM 816 N HIS A 53 -12.296 -13.712 10.346 1.00 0.00 N ATOM 817 CA HIS A 53 -11.758 -12.356 10.306 1.00 0.00 C ATOM 818 C HIS A 53 -12.851 -11.348 9.966 1.00 0.00 C ATOM 819 O HIS A 53 -12.726 -10.158 10.260 1.00 0.00 O ATOM 820 CB HIS A 53 -10.626 -12.264 9.283 1.00 0.00 C ATOM 821 CG HIS A 53 -9.265 -12.179 9.902 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.657 -10.983 10.224 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.393 -13.150 10.260 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.470 -11.223 10.751 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.285 -12.531 10.785 1.00 0.00 N ATOM 0 H HIS A 53 -12.659 -14.048 9.454 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.364 -12.118 11.294 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.665 -13.136 8.630 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.786 -11.388 8.654 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.541 -14.214 10.153 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.769 -10.477 11.096 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.455 -13.004 11.143 1.00 0.00 H new ATOM 833 N LEU A 54 -13.921 -11.830 9.345 1.00 0.00 N ATOM 834 CA LEU A 54 -15.037 -10.971 8.963 1.00 0.00 C ATOM 835 C LEU A 54 -16.086 -10.917 10.069 1.00 0.00 C ATOM 836 O LEU A 54 -17.037 -10.138 10.001 1.00 0.00 O ATOM 837 CB LEU A 54 -15.673 -11.473 7.666 1.00 0.00 C ATOM 838 CG LEU A 54 -14.724 -11.654 6.480 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.465 -12.240 5.288 1.00 0.00 C ATOM 840 CD2 LEU A 54 -14.077 -10.328 6.107 1.00 0.00 C ATOM 0 H LEU A 54 -14.040 -12.812 9.095 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.650 -9.964 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.157 -12.429 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.457 -10.774 7.375 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.938 -12.350 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.774 -12.362 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.881 -13.210 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.272 -11.568 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.405 -10.476 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.850 -9.610 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.511 -9.947 6.957 1.00 0.00 H new ATOM 852 N LYS A 55 -15.905 -11.749 11.090 1.00 0.00 N ATOM 853 CA LYS A 55 -16.833 -11.795 12.213 1.00 0.00 C ATOM 854 C LYS A 55 -18.274 -11.911 11.725 1.00 0.00 C ATOM 855 O LYS A 55 -19.159 -11.200 12.200 1.00 0.00 O ATOM 856 CB LYS A 55 -16.678 -10.544 13.081 1.00 0.00 C ATOM 857 CG LYS A 55 -15.376 -10.504 13.863 1.00 0.00 C ATOM 858 CD LYS A 55 -15.091 -9.112 14.401 1.00 0.00 C ATOM 859 CE LYS A 55 -14.401 -8.243 13.361 1.00 0.00 C ATOM 860 NZ LYS A 55 -15.380 -7.516 12.507 1.00 0.00 N ATOM 0 H LYS A 55 -15.124 -12.401 11.162 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.598 -12.676 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.737 -9.661 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.513 -10.491 13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.426 -11.212 14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.555 -10.822 13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.025 -8.641 14.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.464 -9.186 15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.752 -7.524 13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.763 -8.865 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.100 -6.517 12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.399 -7.944 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.326 -7.578 12.934 1.00 0.00 H new ATOM 874 N ILE A 56 -18.501 -12.813 10.776 1.00 0.00 N ATOM 875 CA ILE A 56 -19.834 -13.024 10.226 1.00 0.00 C ATOM 876 C ILE A 56 -20.711 -13.809 11.196 1.00 0.00 C ATOM 877 O ILE A 56 -21.832 -13.404 11.505 1.00 0.00 O ATOM 878 CB ILE A 56 -19.777 -13.773 8.882 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.936 -12.990 7.872 1.00 0.00 C ATOM 880 CG2 ILE A 56 -21.181 -14.004 8.344 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.479 -13.820 6.693 1.00 0.00 C ATOM 0 H ILE A 56 -17.779 -13.409 10.372 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.268 -12.037 10.064 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.307 -14.743 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.517 -12.143 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -18.062 -12.581 8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -21.124 -14.534 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.751 -14.599 9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.676 -13.044 8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.888 -13.200 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.871 -14.652 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.348 -14.207 6.162 1.00 0.00 H new ATOM 893 N PHE A 57 -20.192 -14.935 11.676 1.00 0.00 N ATOM 894 CA PHE A 57 -20.927 -15.778 12.612 1.00 0.00 C ATOM 895 C PHE A 57 -20.820 -15.232 14.033 1.00 0.00 C ATOM 896 O PHE A 57 -21.629 -15.566 14.900 1.00 0.00 O ATOM 897 CB PHE A 57 -20.397 -17.212 12.563 1.00 0.00 C ATOM 898 CG PHE A 57 -20.336 -17.782 11.175 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.489 -18.207 10.535 1.00 0.00 C ATOM 900 CD2 PHE A 57 -19.125 -17.893 10.510 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.436 -18.732 9.257 1.00 0.00 C ATOM 902 CE2 PHE A 57 -19.067 -18.416 9.232 1.00 0.00 C ATOM 903 CZ PHE A 57 -20.223 -18.837 8.605 1.00 0.00 C ATOM 0 H PHE A 57 -19.265 -15.284 11.432 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.977 -15.776 12.319 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.399 -17.237 13.002 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.033 -17.847 13.180 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.440 -18.127 11.040 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.217 -17.567 10.996 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.342 -19.060 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.117 -18.495 8.724 1.00 0.00 H new ATOM 0 HZ PHE A 57 -20.179 -19.247 7.607 1.00 0.00 H new ATOM 913 N HIS A 58 -19.817 -14.392 14.265 1.00 0.00 N ATOM 914 CA HIS A 58 -19.604 -13.800 15.581 1.00 0.00 C ATOM 915 C HIS A 58 -20.828 -13.005 16.023 1.00 0.00 C ATOM 916 O HIS A 58 -21.097 -12.873 17.217 1.00 0.00 O ATOM 917 CB HIS A 58 -18.372 -12.894 15.562 1.00 0.00 C ATOM 918 CG HIS A 58 -18.030 -12.321 16.903 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.158 -10.981 17.204 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.563 -12.915 18.026 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.783 -10.776 18.454 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.418 -11.933 18.975 1.00 0.00 N ATOM 0 H HIS A 58 -19.139 -14.106 13.559 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.441 -14.608 16.294 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.519 -13.462 15.190 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.542 -12.078 14.860 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -17.345 -13.965 18.152 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.776 -9.824 18.963 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.083 -12.075 19.928 1.00 0.00 H new ATOM 930 N ASP A 59 -21.566 -12.476 15.053 1.00 0.00 N ATOM 931 CA ASP A 59 -22.763 -11.693 15.343 1.00 0.00 C ATOM 932 C ASP A 59 -23.972 -12.602 15.536 1.00 0.00 C ATOM 933 O ASP A 59 -25.094 -12.129 15.723 1.00 0.00 O ATOM 934 CB ASP A 59 -23.032 -10.698 14.214 1.00 0.00 C ATOM 935 CG ASP A 59 -21.762 -10.262 13.510 1.00 0.00 C ATOM 936 OD1 ASP A 59 -20.771 -9.959 14.207 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.759 -10.226 12.262 1.00 0.00 O ATOM 0 H ASP A 59 -21.357 -12.575 14.060 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.593 -11.143 16.269 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.709 -11.150 13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.538 -9.822 14.619 1.00 0.00 H new ATOM 942 N HIS A 60 -23.738 -13.910 15.488 1.00 0.00 N ATOM 943 CA HIS A 60 -24.809 -14.886 15.658 1.00 0.00 C ATOM 944 C HIS A 60 -26.120 -14.358 15.084 1.00 0.00 C ATOM 945 O HIS A 60 -27.162 -14.410 15.739 1.00 0.00 O ATOM 946 CB HIS A 60 -24.986 -15.228 17.137 1.00 0.00 C ATOM 947 CG HIS A 60 -24.992 -14.027 18.033 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.918 -13.056 18.206 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -23.952 -13.718 18.884 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.427 -12.187 19.149 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.239 -12.610 19.543 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.816 -14.318 15.333 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.533 -15.790 15.115 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.922 -15.772 17.266 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.183 -15.897 17.445 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.044 -14.293 18.994 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -25.930 -11.302 19.510 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -23.645 -12.158 20.238 1.00 0.00 H new ATOM 959 N HIS A 61 -26.062 -13.848 13.858 1.00 0.00 N ATOM 960 CA HIS A 61 -27.245 -13.310 13.197 1.00 0.00 C ATOM 961 C HIS A 61 -27.316 -13.776 11.746 1.00 0.00 C ATOM 962 O HIS A 61 -28.168 -13.327 10.979 1.00 0.00 O ATOM 963 CB HIS A 61 -27.237 -11.782 13.254 1.00 0.00 C ATOM 964 CG HIS A 61 -28.192 -11.216 14.259 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.426 -10.703 13.920 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.089 -11.084 15.603 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.040 -10.279 15.010 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.250 -10.500 16.045 1.00 0.00 N ATOM 0 H HIS A 61 -25.208 -13.796 13.302 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.125 -13.681 13.723 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.229 -11.441 13.490 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.484 -11.388 12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.250 -11.383 16.213 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.021 -9.828 15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.467 -10.273 17.015 1.00 0.00 H new ATOM 976 N VAL A 62 -26.413 -14.679 11.374 1.00 0.00 N ATOM 977 CA VAL A 62 -26.373 -15.206 10.016 1.00 0.00 C ATOM 978 C VAL A 62 -26.167 -16.717 10.018 1.00 0.00 C ATOM 979 O VAL A 62 -25.433 -17.254 10.848 1.00 0.00 O ATOM 980 CB VAL A 62 -25.252 -14.547 9.191 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.896 -14.804 9.832 1.00 0.00 C ATOM 982 CG2 VAL A 62 -25.277 -15.054 7.757 1.00 0.00 C ATOM 0 H VAL A 62 -25.699 -15.060 11.995 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.335 -14.974 9.558 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.422 -13.470 9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -23.116 -14.331 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.885 -14.388 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.714 -15.878 9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.478 -14.578 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -25.133 -16.134 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -26.238 -14.814 7.303 1.00 0.00 H new ATOM 992 N THR A 63 -26.820 -17.399 9.082 1.00 0.00 N ATOM 993 CA THR A 63 -26.709 -18.848 8.976 1.00 0.00 C ATOM 994 C THR A 63 -25.770 -19.247 7.844 1.00 0.00 C ATOM 995 O THR A 63 -25.420 -18.426 6.996 1.00 0.00 O ATOM 996 CB THR A 63 -28.085 -19.501 8.740 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.943 -20.923 8.651 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.725 -18.969 7.467 1.00 0.00 C ATOM 0 H THR A 63 -27.431 -16.971 8.387 1.00 0.00 H new ATOM 0 HA THR A 63 -26.303 -19.203 9.923 1.00 0.00 H new ATOM 0 HB THR A 63 -28.730 -19.253 9.583 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.822 -21.331 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.695 -19.444 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.858 -17.890 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 63 -28.081 -19.191 6.616 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.364 -20.512 7.836 1.00 0.00 N ATOM 1007 CA VAL A 64 -24.465 -21.020 6.806 1.00 0.00 C ATOM 1008 C VAL A 64 -25.076 -20.864 5.418 1.00 0.00 C ATOM 1009 O VAL A 64 -24.362 -20.694 4.431 1.00 0.00 O ATOM 1010 CB VAL A 64 -24.124 -22.504 7.040 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -25.336 -23.381 6.765 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.945 -22.922 6.175 1.00 0.00 C ATOM 0 H VAL A 64 -25.643 -21.204 8.531 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.550 -20.431 6.866 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.842 -22.634 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.076 -24.426 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -26.150 -23.096 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.652 -23.250 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.718 -23.973 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -23.196 -22.778 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -22.075 -22.315 6.427 1.00 0.00 H new ATOM 1022 N GLU A 65 -26.403 -20.922 5.351 1.00 0.00 N ATOM 1023 CA GLU A 65 -27.109 -20.787 4.083 1.00 0.00 C ATOM 1024 C GLU A 65 -26.939 -19.382 3.512 1.00 0.00 C ATOM 1025 O GLU A 65 -26.816 -19.205 2.300 1.00 0.00 O ATOM 1026 CB GLU A 65 -28.596 -21.098 4.266 1.00 0.00 C ATOM 1027 CG GLU A 65 -29.489 -19.871 4.184 1.00 0.00 C ATOM 1028 CD GLU A 65 -30.950 -20.194 4.432 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -31.235 -20.977 5.362 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -31.807 -19.664 3.695 1.00 0.00 O ATOM 0 H GLU A 65 -27.009 -21.061 6.159 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.679 -21.501 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.905 -21.814 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.742 -21.579 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.155 -19.134 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -29.384 -19.415 3.200 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.933 -18.388 4.393 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.779 -16.999 3.977 1.00 0.00 C ATOM 1039 C GLN A 66 -25.394 -16.758 3.388 1.00 0.00 C ATOM 1040 O GLN A 66 -25.235 -15.981 2.446 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.013 -16.061 5.162 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.480 -15.742 5.406 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.677 -14.674 6.464 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.964 -14.977 7.622 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.524 -13.415 6.069 1.00 0.00 N ATOM 0 H GLN A 66 -27.033 -18.518 5.400 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.522 -16.792 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.594 -16.513 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.471 -15.131 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.936 -15.412 4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -29.000 -16.650 5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.286 -13.210 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.645 -12.653 6.736 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.393 -17.428 3.949 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.019 -17.286 3.479 1.00 0.00 C ATOM 1056 C LEU A 67 -22.891 -17.738 2.028 1.00 0.00 C ATOM 1057 O LEU A 67 -22.285 -17.051 1.206 1.00 0.00 O ATOM 1058 CB LEU A 67 -22.071 -18.098 4.364 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.524 -17.380 5.598 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.320 -16.527 5.229 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.607 -16.527 6.242 1.00 0.00 C ATOM 0 H LEU A 67 -24.507 -18.075 4.730 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.747 -16.232 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.593 -18.996 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.228 -18.425 3.755 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.204 -18.131 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.944 -16.024 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.538 -17.162 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.614 -15.783 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.200 -16.023 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.958 -15.783 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.440 -17.163 6.543 1.00 0.00 H new ATOM 1073 N MET A 68 -23.466 -18.895 1.720 1.00 0.00 N ATOM 1074 CA MET A 68 -23.418 -19.436 0.367 1.00 0.00 C ATOM 1075 C MET A 68 -24.342 -18.656 -0.563 1.00 0.00 C ATOM 1076 O MET A 68 -24.041 -18.472 -1.743 1.00 0.00 O ATOM 1077 CB MET A 68 -23.811 -20.915 0.372 1.00 0.00 C ATOM 1078 CG MET A 68 -25.223 -21.167 0.875 1.00 0.00 C ATOM 1079 SD MET A 68 -25.705 -22.900 0.754 1.00 0.00 S ATOM 1080 CE MET A 68 -24.925 -23.572 2.220 1.00 0.00 C ATOM 0 H MET A 68 -23.971 -19.476 2.389 1.00 0.00 H new ATOM 0 HA MET A 68 -22.396 -19.340 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.718 -21.310 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.108 -21.467 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 68 -25.297 -20.845 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.923 -20.559 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.548 -24.572 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.098 -22.928 2.520 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.654 -23.625 3.028 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.730 -26.371 0.676 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.705 -25.486 1.216 1.00 0.00 C ATOM 1256 C ASP A 81 -15.680 -24.159 0.463 1.00 0.00 C ATOM 1257 O ASP A 81 -15.680 -24.131 -0.768 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.332 -26.155 1.139 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.194 -25.158 1.247 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -13.301 -24.223 2.067 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.197 -25.314 0.512 1.00 0.00 O ATOM 0 HA ASP A 81 -15.946 -25.286 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.244 -26.890 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.248 -26.697 0.197 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.660 -23.061 1.211 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.637 -21.730 0.615 1.00 0.00 C ATOM 1268 C LEU A 82 -14.876 -20.750 1.501 1.00 0.00 C ATOM 1269 O LEU A 82 -14.582 -21.045 2.659 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.063 -21.227 0.386 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.134 -21.801 1.314 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -17.944 -21.286 2.732 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.525 -21.456 0.800 1.00 0.00 C ATOM 0 H LEU A 82 -15.659 -23.066 2.231 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.124 -21.798 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.065 -20.142 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.345 -21.450 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 82 -18.032 -22.886 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -18.715 -21.705 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.962 -21.584 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -18.018 -20.199 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -20.275 -21.872 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.638 -20.373 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.659 -21.876 -0.197 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.562 -19.581 0.950 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.837 -18.557 1.692 1.00 0.00 C ATOM 1287 C GLU A 83 -14.367 -17.165 1.359 1.00 0.00 C ATOM 1288 O GLU A 83 -14.889 -16.932 0.269 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.341 -18.633 1.380 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.029 -18.655 -0.107 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.265 -17.313 -0.772 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -12.094 -16.278 -0.095 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.622 -17.298 -1.969 1.00 0.00 O ATOM 0 H GLU A 83 -14.799 -19.320 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.989 -18.740 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.840 -17.779 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.927 -19.529 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.990 -18.951 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.646 -19.411 -0.593 1.00 0.00 H new ATOM 1300 N PHE A 84 -14.229 -16.244 2.306 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.695 -14.875 2.115 1.00 0.00 C ATOM 1302 C PHE A 84 -13.602 -13.873 2.476 1.00 0.00 C ATOM 1303 O PHE A 84 -12.965 -13.984 3.523 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.941 -14.615 2.964 1.00 0.00 C ATOM 1305 CG PHE A 84 -17.113 -15.476 2.588 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.095 -16.840 2.834 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -18.232 -14.922 1.989 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.171 -17.635 2.489 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -19.312 -15.712 1.643 1.00 0.00 C ATOM 1310 CZ PHE A 84 -19.281 -17.070 1.892 1.00 0.00 C ATOM 0 H PHE A 84 -13.798 -16.420 3.214 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.948 -14.747 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.698 -14.784 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.224 -13.567 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.230 -17.287 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -18.261 -13.861 1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.144 -18.697 2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -20.180 -15.268 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 84 -20.123 -17.689 1.620 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.391 -12.896 1.600 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.374 -11.875 1.825 1.00 0.00 C ATOM 1322 C GLU A 85 -13.006 -10.578 2.322 1.00 0.00 C ATOM 1323 O GLU A 85 -12.371 -9.798 3.031 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.590 -11.612 0.538 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.137 -11.238 0.776 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.519 -10.515 -0.405 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.137 -11.193 -1.381 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -9.418 -9.271 -0.352 1.00 0.00 O ATOM 0 H GLU A 85 -13.910 -12.790 0.728 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.690 -12.243 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.629 -12.502 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.077 -10.810 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.069 -10.605 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.563 -12.141 0.985 1.00 0.00 H new ATOM 1335 N ASP A 86 -14.260 -10.356 1.945 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.979 -9.154 2.352 1.00 0.00 C ATOM 1337 C ASP A 86 -16.485 -9.340 2.188 1.00 0.00 C ATOM 1338 O ASP A 86 -16.995 -9.392 1.069 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.509 -7.950 1.534 1.00 0.00 C ATOM 1340 CG ASP A 86 -13.433 -7.153 2.244 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.677 -6.712 3.387 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -12.347 -6.969 1.657 1.00 0.00 O ATOM 0 H ASP A 86 -14.800 -10.992 1.358 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.766 -8.972 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.128 -8.294 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.360 -7.301 1.326 1.00 0.00 H new ATOM 1347 N ILE A 87 -17.189 -9.440 3.310 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.636 -9.619 3.290 1.00 0.00 C ATOM 1349 C ILE A 87 -19.306 -8.585 2.392 1.00 0.00 C ATOM 1350 O ILE A 87 -18.803 -7.479 2.195 1.00 0.00 O ATOM 1351 CB ILE A 87 -19.235 -9.519 4.705 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.970 -8.134 5.298 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.659 -10.605 5.602 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -17.843 -8.114 6.306 1.00 0.00 C ATOM 0 H ILE A 87 -16.782 -9.400 4.244 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.825 -10.617 2.894 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.313 -9.664 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.736 -7.440 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.880 -7.772 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.092 -10.521 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.895 -11.584 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.577 -10.489 5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.711 -7.100 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.083 -8.782 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.921 -8.445 5.828 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.469 -8.951 1.834 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.235 -8.068 0.949 1.00 0.00 C ATOM 1368 C PRO A 88 -21.852 -6.891 1.697 1.00 0.00 C ATOM 1369 O PRO A 88 -21.587 -6.689 2.882 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.331 -8.984 0.397 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.492 -10.047 1.428 1.00 0.00 C ATOM 1372 CD PRO A 88 -21.127 -10.255 2.024 1.00 0.00 C ATOM 0 HA PRO A 88 -20.608 -7.618 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.262 -8.439 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.045 -9.407 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -23.209 -9.745 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.868 -10.968 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -21.186 -10.525 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.586 -11.055 1.519 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.674 -6.117 0.997 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.330 -4.960 1.596 1.00 0.00 C ATOM 1382 C ASP A 89 -24.690 -5.343 2.171 1.00 0.00 C ATOM 1383 O ASP A 89 -25.187 -4.700 3.095 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.496 -3.848 0.559 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.583 -4.156 -0.451 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.403 -5.101 -1.247 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.615 -3.451 -0.447 1.00 0.00 O ATOM 0 H ASP A 89 -22.902 -6.270 0.015 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.701 -4.598 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.731 -2.913 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.551 -3.698 0.037 1.00 0.00 H new ATOM 1392 N SER A 90 -25.286 -6.394 1.617 1.00 0.00 N ATOM 1393 CA SER A 90 -26.591 -6.860 2.072 1.00 0.00 C ATOM 1394 C SER A 90 -26.489 -7.494 3.456 1.00 0.00 C ATOM 1395 O SER A 90 -27.447 -7.479 4.231 1.00 0.00 O ATOM 1396 CB SER A 90 -27.170 -7.869 1.078 1.00 0.00 C ATOM 1397 OG SER A 90 -28.406 -8.386 1.539 1.00 0.00 O ATOM 0 H SER A 90 -24.886 -6.939 0.853 1.00 0.00 H new ATOM 0 HA SER A 90 -27.256 -5.999 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.311 -7.390 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.463 -8.685 0.930 1.00 0.00 H new ATOM 0 HG SER A 90 -28.756 -9.027 0.886 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.322 -8.050 3.761 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.093 -8.690 5.052 1.00 0.00 C ATOM 1405 C LEU A 91 -24.495 -7.704 6.050 1.00 0.00 C ATOM 1406 O LEU A 91 -25.030 -7.507 7.142 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.165 -9.894 4.889 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.640 -10.983 3.926 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.543 -12.011 3.699 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.899 -11.653 4.458 1.00 0.00 C ATOM 0 H LEU A 91 -24.519 -8.071 3.132 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.055 -9.030 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.194 -9.535 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.013 -10.345 5.869 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.876 -10.517 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.900 -12.778 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.667 -11.521 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.275 -12.473 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -26.223 -12.425 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.689 -12.105 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.688 -10.909 4.568 1.00 0.00 H new