USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 174:sc= 0 (180deg=-0.0593) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.36) USER MOD Single : A 16 HIS : no HD1:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 90:sc= -1.15 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 28 CYS SG : rot 174:sc= -1.48 USER MOD Single : A 35 CYS SG : rot 70:sc= -6.49! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.0415 F(o=-1.8,f=-0.042) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -162:sc= 0.0668 USER MOD Single : A 59 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.2) USER MOD Single : A 62 MET CE :methyl -124:sc= -12.8! (180deg=-21.8!) USER MOD Single : A 67 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0759 K(o=-0.076,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.834 -2.524 -11.582 1.00 0.00 N ATOM 77 CA MET A 4 -2.909 -3.387 -10.860 1.00 0.00 C ATOM 78 C MET A 4 -3.300 -3.459 -9.387 1.00 0.00 C ATOM 79 O MET A 4 -4.419 -3.097 -9.023 1.00 0.00 O ATOM 80 CB MET A 4 -1.478 -2.870 -11.020 1.00 0.00 C ATOM 81 CG MET A 4 -0.959 -2.948 -12.446 1.00 0.00 C ATOM 82 SD MET A 4 0.306 -4.216 -12.662 1.00 0.00 S ATOM 83 CE MET A 4 -0.700 -5.697 -12.691 1.00 0.00 C ATOM 0 HA MET A 4 -2.959 -4.393 -11.276 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.435 -1.834 -10.683 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.818 -3.445 -10.370 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.791 -3.153 -13.120 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.549 -1.980 -12.732 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.074 -6.558 -12.925 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.164 -5.841 -11.715 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.475 -5.595 -13.450 1.00 0.00 H new ATOM 93 N PHE A 5 -2.393 -3.933 -8.538 1.00 0.00 N ATOM 94 CA PHE A 5 -2.688 -4.048 -7.114 1.00 0.00 C ATOM 95 C PHE A 5 -1.440 -3.906 -6.255 1.00 0.00 C ATOM 96 O PHE A 5 -0.312 -3.992 -6.740 1.00 0.00 O ATOM 97 CB PHE A 5 -3.343 -5.401 -6.828 1.00 0.00 C ATOM 98 CG PHE A 5 -2.522 -6.571 -7.290 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.709 -7.259 -6.402 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.562 -6.983 -8.613 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.953 -8.335 -6.825 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.808 -8.059 -9.041 1.00 0.00 C ATOM 103 CZ PHE A 5 -1.003 -8.736 -8.146 1.00 0.00 C ATOM 0 H PHE A 5 -1.458 -4.240 -8.807 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.367 -3.235 -6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.520 -5.491 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.317 -5.435 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.666 -6.950 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.190 -6.457 -9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.323 -8.862 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.848 -8.370 -10.074 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.413 -9.578 -8.478 1.00 0.00 H new ATOM 113 N LEU A 6 -1.672 -3.698 -4.964 1.00 0.00 N ATOM 114 CA LEU A 6 -0.600 -3.551 -3.994 1.00 0.00 C ATOM 115 C LEU A 6 -0.813 -4.506 -2.824 1.00 0.00 C ATOM 116 O LEU A 6 -1.943 -4.721 -2.385 1.00 0.00 O ATOM 117 CB LEU A 6 -0.536 -2.115 -3.487 1.00 0.00 C ATOM 118 CG LEU A 6 -1.856 -1.572 -2.953 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.957 -1.805 -1.453 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.001 -0.093 -3.290 1.00 0.00 C ATOM 0 H LEU A 6 -2.607 -3.627 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 6 0.344 -3.794 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.213 -2.055 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.195 -1.472 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.674 -2.108 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.905 -1.412 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.904 -2.874 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.135 -1.297 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.949 0.278 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.181 0.465 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.977 0.038 -4.372 1.00 0.00 H new ATOM 132 N THR A 7 0.273 -5.081 -2.332 1.00 0.00 N ATOM 133 CA THR A 7 0.204 -6.021 -1.218 1.00 0.00 C ATOM 134 C THR A 7 0.405 -5.314 0.117 1.00 0.00 C ATOM 135 O THR A 7 1.495 -4.828 0.415 1.00 0.00 O ATOM 136 CB THR A 7 1.247 -7.125 -1.382 1.00 0.00 C ATOM 137 OG1 THR A 7 1.119 -7.754 -2.645 1.00 0.00 O ATOM 138 CG2 THR A 7 1.145 -8.198 -0.321 1.00 0.00 C ATOM 0 H THR A 7 1.215 -4.915 -2.685 1.00 0.00 H new ATOM 0 HA THR A 7 -0.791 -6.466 -1.224 1.00 0.00 H new ATOM 0 HB THR A 7 2.213 -6.630 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.797 -8.456 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.912 -8.953 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.288 -7.752 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.161 -8.664 -0.368 1.00 0.00 H new ATOM 146 N VAL A 8 -0.654 -5.270 0.918 1.00 0.00 N ATOM 147 CA VAL A 8 -0.601 -4.628 2.227 1.00 0.00 C ATOM 148 C VAL A 8 -0.235 -5.632 3.313 1.00 0.00 C ATOM 149 O VAL A 8 -0.448 -6.829 3.157 1.00 0.00 O ATOM 150 CB VAL A 8 -1.943 -3.964 2.592 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.722 -2.834 3.585 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.652 -3.458 1.344 1.00 0.00 C ATOM 0 H VAL A 8 -1.562 -5.672 0.683 1.00 0.00 H new ATOM 0 HA VAL A 8 0.168 -3.858 2.167 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.582 -4.713 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.679 -2.375 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.264 -3.230 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.064 -2.085 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.597 -2.993 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.023 -2.724 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.845 -4.294 0.671 1.00 0.00 H new ATOM 162 N TYR A 9 0.328 -5.141 4.408 1.00 0.00 N ATOM 163 CA TYR A 9 0.730 -6.003 5.509 1.00 0.00 C ATOM 164 C TYR A 9 -0.122 -5.761 6.743 1.00 0.00 C ATOM 165 O TYR A 9 -0.297 -4.620 7.188 1.00 0.00 O ATOM 166 CB TYR A 9 2.209 -5.809 5.828 1.00 0.00 C ATOM 167 CG TYR A 9 3.112 -6.696 5.002 1.00 0.00 C ATOM 168 CD1 TYR A 9 2.999 -6.734 3.617 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.076 -7.491 5.604 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.823 -7.541 2.855 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.905 -8.303 4.849 1.00 0.00 C ATOM 172 CZ TYR A 9 4.774 -8.323 3.477 1.00 0.00 C ATOM 173 OH TYR A 9 5.597 -9.127 2.722 1.00 0.00 O ATOM 0 H TYR A 9 0.517 -4.150 4.557 1.00 0.00 H new ATOM 0 HA TYR A 9 0.574 -7.036 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.478 -4.767 5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.377 -6.013 6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.255 -6.123 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.182 -7.476 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.723 -7.559 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.650 -8.917 5.332 1.00 0.00 H new ATOM 0 HH TYR A 9 6.211 -9.612 3.312 1.00 0.00 H new ATOM 183 N LEU A 10 -0.646 -6.855 7.282 1.00 0.00 N ATOM 184 CA LEU A 10 -1.493 -6.811 8.465 1.00 0.00 C ATOM 185 C LEU A 10 -0.669 -6.977 9.734 1.00 0.00 C ATOM 186 O LEU A 10 0.195 -7.851 9.817 1.00 0.00 O ATOM 187 CB LEU A 10 -2.549 -7.915 8.398 1.00 0.00 C ATOM 188 CG LEU A 10 -3.321 -8.000 7.084 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.651 -8.977 6.130 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.767 -8.401 7.338 1.00 0.00 C ATOM 0 H LEU A 10 -0.496 -7.794 6.912 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.982 -5.837 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.061 -8.873 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.261 -7.764 9.210 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.317 -7.014 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.217 -9.023 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.635 -8.642 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.620 -9.967 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.301 -8.456 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.794 -9.375 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.243 -7.659 7.980 1.00 0.00 H new ATOM 241 N GLU A 14 5.536 -10.139 9.075 1.00 0.00 N ATOM 242 CA GLU A 14 6.289 -9.999 7.833 1.00 0.00 C ATOM 243 C GLU A 14 5.831 -11.013 6.785 1.00 0.00 C ATOM 244 O GLU A 14 6.340 -11.027 5.664 1.00 0.00 O ATOM 245 CB GLU A 14 7.787 -10.167 8.100 1.00 0.00 C ATOM 246 CG GLU A 14 8.297 -9.332 9.263 1.00 0.00 C ATOM 247 CD GLU A 14 9.096 -8.126 8.809 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.175 -7.877 9.385 1.00 0.00 O ATOM 249 OE2 GLU A 14 8.642 -7.431 7.875 1.00 0.00 O ATOM 0 HA GLU A 14 6.102 -8.999 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.996 -11.218 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.340 -9.897 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.451 -8.998 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.919 -9.954 9.907 1.00 0.00 H new ATOM 256 N GLN A 15 4.875 -11.865 7.152 1.00 0.00 N ATOM 257 CA GLN A 15 4.366 -12.877 6.233 1.00 0.00 C ATOM 258 C GLN A 15 2.864 -12.758 6.041 1.00 0.00 C ATOM 259 O GLN A 15 2.309 -13.385 5.137 1.00 0.00 O ATOM 260 CB GLN A 15 4.724 -14.279 6.727 1.00 0.00 C ATOM 261 CG GLN A 15 6.209 -14.592 6.647 1.00 0.00 C ATOM 262 CD GLN A 15 6.566 -15.419 5.427 1.00 0.00 C ATOM 263 OE1 GLN A 15 5.906 -16.414 5.123 1.00 0.00 O ATOM 264 NE2 GLN A 15 7.616 -15.014 4.723 1.00 0.00 N ATOM 0 H GLN A 15 4.440 -11.874 8.075 1.00 0.00 H new ATOM 0 HA GLN A 15 4.840 -12.708 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.394 -14.386 7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.174 -15.014 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.773 -13.659 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.512 -15.128 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.134 -14.184 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.905 -15.533 3.894 1.00 0.00 H new ATOM 273 N HIS A 16 2.194 -11.933 6.847 1.00 0.00 N ATOM 274 CA HIS A 16 0.766 -11.766 6.655 1.00 0.00 C ATOM 275 C HIS A 16 0.541 -10.474 5.900 1.00 0.00 C ATOM 276 O HIS A 16 0.936 -9.396 6.346 1.00 0.00 O ATOM 277 CB HIS A 16 0.049 -11.706 8.005 1.00 0.00 C ATOM 278 CG HIS A 16 -1.442 -11.614 7.903 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.228 -11.116 8.920 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.290 -11.946 6.901 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.494 -11.143 8.550 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.560 -11.643 7.329 1.00 0.00 N ATOM 0 H HIS A 16 2.603 -11.392 7.609 1.00 0.00 H new ATOM 0 HA HIS A 16 0.367 -12.611 6.094 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.309 -12.594 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.418 -10.845 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.019 -12.369 5.945 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.333 -10.813 9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.415 -11.782 6.791 1.00 0.00 H new ATOM 291 N PHE A 17 -0.095 -10.596 4.755 1.00 0.00 N ATOM 292 CA PHE A 17 -0.382 -9.455 3.917 1.00 0.00 C ATOM 293 C PHE A 17 -1.720 -9.603 3.232 1.00 0.00 C ATOM 294 O PHE A 17 -2.218 -10.712 3.047 1.00 0.00 O ATOM 295 CB PHE A 17 0.711 -9.272 2.876 1.00 0.00 C ATOM 296 CG PHE A 17 1.067 -10.549 2.193 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.293 -11.024 1.139 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.169 -11.283 2.610 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.625 -12.214 0.515 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.502 -12.467 1.993 1.00 0.00 C ATOM 301 CZ PHE A 17 1.731 -12.936 0.942 1.00 0.00 C ATOM 0 H PHE A 17 -0.426 -11.485 4.381 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.418 -8.574 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.383 -8.545 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.599 -8.860 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.568 -10.463 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.773 -10.920 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.024 -12.581 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.362 -13.029 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.991 -13.864 0.454 1.00 0.00 H new ATOM 311 N THR A 18 -2.260 -8.489 2.799 1.00 0.00 N ATOM 312 CA THR A 18 -3.500 -8.502 2.062 1.00 0.00 C ATOM 313 C THR A 18 -3.345 -7.635 0.826 1.00 0.00 C ATOM 314 O THR A 18 -3.112 -6.431 0.925 1.00 0.00 O ATOM 315 CB THR A 18 -4.665 -8.017 2.926 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.871 -8.013 2.183 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.459 -6.623 3.474 1.00 0.00 C ATOM 0 H THR A 18 -1.860 -7.562 2.944 1.00 0.00 H new ATOM 0 HA THR A 18 -3.728 -9.525 1.764 1.00 0.00 H new ATOM 0 HB THR A 18 -4.719 -8.715 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.314 -8.882 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.321 -6.338 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.561 -6.604 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.347 -5.920 2.648 1.00 0.00 H new ATOM 325 N GLU A 19 -3.446 -8.257 -0.337 1.00 0.00 N ATOM 326 CA GLU A 19 -3.286 -7.541 -1.590 1.00 0.00 C ATOM 327 C GLU A 19 -4.631 -7.078 -2.123 1.00 0.00 C ATOM 328 O GLU A 19 -5.669 -7.666 -1.820 1.00 0.00 O ATOM 329 CB GLU A 19 -2.569 -8.418 -2.616 1.00 0.00 C ATOM 330 CG GLU A 19 -3.004 -9.875 -2.600 1.00 0.00 C ATOM 331 CD GLU A 19 -3.029 -10.492 -3.984 1.00 0.00 C ATOM 332 OE1 GLU A 19 -4.059 -11.100 -4.346 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.019 -10.367 -4.708 1.00 0.00 O ATOM 0 H GLU A 19 -3.638 -9.254 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.675 -6.657 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.742 -8.009 -3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.496 -8.369 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.327 -10.445 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.996 -9.949 -2.155 1.00 0.00 H new ATOM 340 N VAL A 20 -4.608 -5.996 -2.891 1.00 0.00 N ATOM 341 CA VAL A 20 -5.837 -5.429 -3.429 1.00 0.00 C ATOM 342 C VAL A 20 -5.630 -4.725 -4.770 1.00 0.00 C ATOM 343 O VAL A 20 -4.693 -3.939 -4.931 1.00 0.00 O ATOM 344 CB VAL A 20 -6.427 -4.407 -2.444 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.915 -5.101 -1.182 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.392 -3.336 -2.111 1.00 0.00 C ATOM 0 H VAL A 20 -3.758 -5.497 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.516 -6.268 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.283 -3.923 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.329 -4.361 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.685 -5.827 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.081 -5.613 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.823 -2.619 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.518 -3.803 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.095 -2.820 -3.024 1.00 0.00 H new ATOM 356 N PRO A 21 -6.530 -4.974 -5.743 1.00 0.00 N ATOM 357 CA PRO A 21 -6.474 -4.342 -7.056 1.00 0.00 C ATOM 358 C PRO A 21 -7.178 -2.994 -7.039 1.00 0.00 C ATOM 359 O PRO A 21 -8.398 -2.923 -6.889 1.00 0.00 O ATOM 360 CB PRO A 21 -7.221 -5.339 -7.935 1.00 0.00 C ATOM 361 CG PRO A 21 -8.252 -5.932 -7.034 1.00 0.00 C ATOM 362 CD PRO A 21 -7.698 -5.869 -5.628 1.00 0.00 C ATOM 0 HA PRO A 21 -5.460 -4.136 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.679 -4.847 -8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.550 -6.103 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.189 -5.380 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.466 -6.962 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.434 -5.476 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.410 -6.857 -5.268 1.00 0.00 H new ATOM 370 N VAL A 22 -6.403 -1.927 -7.158 1.00 0.00 N ATOM 371 CA VAL A 22 -6.956 -0.581 -7.116 1.00 0.00 C ATOM 372 C VAL A 22 -6.584 0.234 -8.345 1.00 0.00 C ATOM 373 O VAL A 22 -5.462 0.165 -8.845 1.00 0.00 O ATOM 374 CB VAL A 22 -6.478 0.181 -5.849 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.196 -0.434 -5.306 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.270 1.668 -6.131 1.00 0.00 C ATOM 0 H VAL A 22 -5.392 -1.966 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.039 -0.699 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.262 0.089 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.877 0.113 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.375 -1.477 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.416 -0.380 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.936 2.168 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.516 1.789 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.209 2.110 -6.464 1.00 0.00 H new ATOM 386 N THR A 23 -7.529 1.054 -8.779 1.00 0.00 N ATOM 387 CA THR A 23 -7.316 1.952 -9.897 1.00 0.00 C ATOM 388 C THR A 23 -6.970 3.316 -9.316 1.00 0.00 C ATOM 389 O THR A 23 -7.114 3.516 -8.112 1.00 0.00 O ATOM 390 CB THR A 23 -8.571 2.035 -10.772 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.518 2.926 -10.211 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.257 0.698 -10.962 1.00 0.00 C ATOM 0 H THR A 23 -8.460 1.114 -8.366 1.00 0.00 H new ATOM 0 HA THR A 23 -6.508 1.590 -10.533 1.00 0.00 H new ATOM 0 HB THR A 23 -8.222 2.390 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.311 2.965 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.138 0.827 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.569 0.001 -11.440 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.559 0.303 -9.992 1.00 0.00 H new ATOM 400 N PRO A 24 -6.505 4.280 -10.117 1.00 0.00 N ATOM 401 CA PRO A 24 -6.161 5.594 -9.585 1.00 0.00 C ATOM 402 C PRO A 24 -7.399 6.385 -9.171 1.00 0.00 C ATOM 403 O PRO A 24 -7.674 7.464 -9.697 1.00 0.00 O ATOM 404 CB PRO A 24 -5.419 6.265 -10.732 1.00 0.00 C ATOM 405 CG PRO A 24 -5.931 5.596 -11.965 1.00 0.00 C ATOM 406 CD PRO A 24 -6.277 4.183 -11.570 1.00 0.00 C ATOM 0 HA PRO A 24 -5.561 5.531 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.613 7.337 -10.755 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.341 6.139 -10.633 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.806 6.116 -12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.178 5.606 -12.753 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.164 3.826 -12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.468 3.491 -11.804 1.00 0.00 H new ATOM 414 N GLU A 25 -8.133 5.828 -8.210 1.00 0.00 N ATOM 415 CA GLU A 25 -9.341 6.446 -7.683 1.00 0.00 C ATOM 416 C GLU A 25 -9.407 6.234 -6.174 1.00 0.00 C ATOM 417 O GLU A 25 -9.542 7.186 -5.407 1.00 0.00 O ATOM 418 CB GLU A 25 -10.582 5.855 -8.354 1.00 0.00 C ATOM 419 CG GLU A 25 -10.794 6.344 -9.778 1.00 0.00 C ATOM 420 CD GLU A 25 -11.260 7.786 -9.835 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.464 8.012 -10.076 1.00 0.00 O ATOM 422 OE2 GLU A 25 -10.421 8.689 -9.637 1.00 0.00 O ATOM 0 H GLU A 25 -7.904 4.934 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.313 7.515 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.499 4.768 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.460 6.104 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.862 6.245 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.530 5.708 -10.271 1.00 0.00 H new ATOM 429 N THR A 26 -9.282 4.974 -5.755 1.00 0.00 N ATOM 430 CA THR A 26 -9.296 4.638 -4.337 1.00 0.00 C ATOM 431 C THR A 26 -7.894 4.778 -3.766 1.00 0.00 C ATOM 432 O THR A 26 -6.908 4.593 -4.479 1.00 0.00 O ATOM 433 CB THR A 26 -9.810 3.220 -4.112 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.222 2.317 -5.032 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.312 3.105 -4.246 1.00 0.00 C ATOM 0 H THR A 26 -9.170 4.174 -6.378 1.00 0.00 H new ATOM 0 HA THR A 26 -9.970 5.326 -3.827 1.00 0.00 H new ATOM 0 HB THR A 26 -9.531 2.970 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.565 1.414 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.615 2.072 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.793 3.751 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.612 3.409 -5.249 1.00 0.00 H new ATOM 443 N ILE A 27 -7.799 5.113 -2.487 1.00 0.00 N ATOM 444 CA ILE A 27 -6.486 5.278 -1.864 1.00 0.00 C ATOM 445 C ILE A 27 -6.398 4.699 -0.453 1.00 0.00 C ATOM 446 O ILE A 27 -7.181 5.046 0.429 1.00 0.00 O ATOM 447 CB ILE A 27 -6.156 6.778 -1.777 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.102 7.497 -0.794 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.230 7.411 -3.155 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.542 7.023 -0.809 1.00 0.00 C ATOM 0 H ILE A 27 -8.594 5.274 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.780 4.732 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.140 6.885 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.709 7.376 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.087 8.564 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.995 8.473 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.513 6.926 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.236 7.290 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.120 7.593 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.963 7.170 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.579 5.964 -0.552 1.00 0.00 H new ATOM 462 N CYS A 28 -5.382 3.869 -0.238 1.00 0.00 N ATOM 463 CA CYS A 28 -5.095 3.274 1.060 1.00 0.00 C ATOM 464 C CYS A 28 -6.359 2.894 1.826 1.00 0.00 C ATOM 465 O CYS A 28 -6.337 2.741 3.051 1.00 0.00 O ATOM 466 CB CYS A 28 -4.210 4.179 1.875 1.00 0.00 C ATOM 467 SG CYS A 28 -2.995 5.095 0.901 1.00 0.00 S ATOM 0 H CYS A 28 -4.728 3.588 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.560 2.343 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.835 4.889 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.686 3.581 2.621 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.366 5.934 1.669 1.00 0.00 H new ATOM 473 N ARG A 29 -7.440 2.695 1.097 1.00 0.00 N ATOM 474 CA ARG A 29 -8.696 2.288 1.694 1.00 0.00 C ATOM 475 C ARG A 29 -8.636 0.795 1.898 1.00 0.00 C ATOM 476 O ARG A 29 -9.175 0.250 2.859 1.00 0.00 O ATOM 477 CB ARG A 29 -9.875 2.662 0.794 1.00 0.00 C ATOM 478 CG ARG A 29 -11.180 2.862 1.550 1.00 0.00 C ATOM 479 CD ARG A 29 -11.286 4.268 2.117 1.00 0.00 C ATOM 480 NE ARG A 29 -12.192 5.106 1.333 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.518 5.028 1.401 1.00 0.00 C ATOM 482 NH1 ARG A 29 -14.098 4.155 2.216 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.268 5.825 0.653 1.00 0.00 N ATOM 0 H ARG A 29 -7.473 2.810 0.084 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.845 2.799 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.633 3.578 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.014 1.880 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.021 2.674 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.247 2.136 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.638 4.218 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.297 4.726 2.140 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.783 5.790 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.526 3.539 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.115 4.100 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.828 6.498 0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.285 5.765 0.705 1.00 0.00 H new ATOM 497 N ASP A 30 -7.934 0.151 0.979 1.00 0.00 N ATOM 498 CA ASP A 30 -7.740 -1.287 1.031 1.00 0.00 C ATOM 499 C ASP A 30 -6.694 -1.640 2.085 1.00 0.00 C ATOM 500 O ASP A 30 -6.824 -2.647 2.783 1.00 0.00 O ATOM 501 CB ASP A 30 -7.307 -1.819 -0.336 1.00 0.00 C ATOM 502 CG ASP A 30 -8.465 -1.937 -1.307 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.583 -2.270 -0.859 1.00 0.00 O ATOM 504 OD2 ASP A 30 -8.255 -1.696 -2.514 1.00 0.00 O ATOM 0 H ASP A 30 -7.487 0.606 0.183 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.687 -1.754 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.550 -1.157 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.841 -2.796 -0.211 1.00 0.00 H new ATOM 509 N VAL A 31 -5.655 -0.808 2.205 1.00 0.00 N ATOM 510 CA VAL A 31 -4.603 -1.054 3.182 1.00 0.00 C ATOM 511 C VAL A 31 -5.118 -0.861 4.604 1.00 0.00 C ATOM 512 O VAL A 31 -4.861 -1.687 5.479 1.00 0.00 O ATOM 513 CB VAL A 31 -3.351 -0.166 2.951 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.896 -0.225 1.501 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.590 1.276 3.376 1.00 0.00 C ATOM 0 H VAL A 31 -5.525 0.032 1.642 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.300 -2.092 3.047 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.556 -0.568 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.017 0.407 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.646 -1.253 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.698 0.129 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.689 1.862 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.415 1.694 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.838 1.306 4.437 1.00 0.00 H new ATOM 525 N VAL A 32 -5.840 0.231 4.839 1.00 0.00 N ATOM 526 CA VAL A 32 -6.373 0.504 6.168 1.00 0.00 C ATOM 527 C VAL A 32 -7.540 -0.420 6.515 1.00 0.00 C ATOM 528 O VAL A 32 -7.608 -0.953 7.621 1.00 0.00 O ATOM 529 CB VAL A 32 -6.828 1.968 6.310 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.453 2.200 7.678 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.653 2.908 6.085 1.00 0.00 C ATOM 0 H VAL A 32 -6.067 0.933 4.135 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.557 0.317 6.866 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.584 2.176 5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.769 3.240 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.317 1.547 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.721 1.980 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.988 3.940 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.877 2.703 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.251 2.755 5.083 1.00 0.00 H new ATOM 541 N ASP A 33 -8.464 -0.593 5.575 1.00 0.00 N ATOM 542 CA ASP A 33 -9.635 -1.437 5.803 1.00 0.00 C ATOM 543 C ASP A 33 -9.250 -2.887 6.083 1.00 0.00 C ATOM 544 O ASP A 33 -9.770 -3.503 7.013 1.00 0.00 O ATOM 545 CB ASP A 33 -10.579 -1.381 4.602 1.00 0.00 C ATOM 546 CG ASP A 33 -11.307 -0.054 4.498 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.369 0.669 5.515 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.813 0.260 3.401 1.00 0.00 O ATOM 0 H ASP A 33 -8.426 -0.162 4.651 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.142 -1.046 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.010 -1.552 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.309 -2.187 4.679 1.00 0.00 H new ATOM 553 N LEU A 34 -8.356 -3.439 5.268 1.00 0.00 N ATOM 554 CA LEU A 34 -7.937 -4.826 5.436 1.00 0.00 C ATOM 555 C LEU A 34 -6.926 -4.985 6.567 1.00 0.00 C ATOM 556 O LEU A 34 -6.927 -5.998 7.267 1.00 0.00 O ATOM 557 CB LEU A 34 -7.346 -5.363 4.131 1.00 0.00 C ATOM 558 CG LEU A 34 -8.368 -5.662 3.032 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.770 -5.395 1.661 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.852 -7.101 3.133 1.00 0.00 C ATOM 0 H LEU A 34 -7.911 -2.951 4.491 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.823 -5.403 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.627 -4.638 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.792 -6.276 4.349 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.224 -5.001 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.511 -5.613 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.472 -4.349 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.897 -6.031 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.578 -7.297 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.005 -7.778 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.320 -7.260 4.105 1.00 0.00 H new ATOM 572 N CYS A 35 -6.056 -3.995 6.741 1.00 0.00 N ATOM 573 CA CYS A 35 -5.045 -4.055 7.781 1.00 0.00 C ATOM 574 C CYS A 35 -5.355 -3.095 8.921 1.00 0.00 C ATOM 575 O CYS A 35 -4.455 -2.497 9.511 1.00 0.00 O ATOM 576 CB CYS A 35 -3.675 -3.746 7.186 1.00 0.00 C ATOM 577 SG CYS A 35 -3.325 -4.611 5.639 1.00 0.00 S ATOM 0 H CYS A 35 -6.034 -3.146 6.176 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.043 -5.064 8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.600 -2.672 7.013 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.908 -4.006 7.916 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.074 -4.128 4.693 1.00 0.00 H new ATOM 583 N LYS A 36 -6.633 -2.970 9.233 1.00 0.00 N ATOM 584 CA LYS A 36 -7.080 -2.097 10.314 1.00 0.00 C ATOM 585 C LYS A 36 -6.944 -2.800 11.661 1.00 0.00 C ATOM 586 O LYS A 36 -6.384 -3.893 11.748 1.00 0.00 O ATOM 587 CB LYS A 36 -8.536 -1.674 10.092 1.00 0.00 C ATOM 588 CG LYS A 36 -8.757 -0.174 10.205 1.00 0.00 C ATOM 589 CD LYS A 36 -10.208 0.154 10.519 1.00 0.00 C ATOM 590 CE LYS A 36 -11.120 -0.163 9.345 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.926 1.019 8.932 1.00 0.00 N ATOM 0 H LYS A 36 -7.386 -3.463 8.753 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.450 -1.208 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.856 -2.007 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.168 -2.182 10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.114 0.232 10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.468 0.309 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.529 -0.413 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.296 1.210 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.520 -0.506 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.788 -0.981 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.534 0.761 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.518 1.331 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.290 1.792 8.650 1.00 0.00 H new ATOM 679 N CYS A 43 -4.101 6.637 11.715 1.00 0.00 N ATOM 680 CA CYS A 43 -3.075 5.705 11.260 1.00 0.00 C ATOM 681 C CYS A 43 -2.641 6.030 9.834 1.00 0.00 C ATOM 682 O CYS A 43 -3.361 6.699 9.093 1.00 0.00 O ATOM 683 CB CYS A 43 -3.591 4.267 11.333 1.00 0.00 C ATOM 684 SG CYS A 43 -4.226 3.791 12.958 1.00 0.00 S ATOM 0 HA CYS A 43 -2.211 5.806 11.917 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.382 4.138 10.594 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.784 3.588 11.057 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.641 2.560 12.918 1.00 0.00 H new ATOM 690 N HIS A 44 -1.460 5.550 9.454 1.00 0.00 N ATOM 691 CA HIS A 44 -0.932 5.791 8.116 1.00 0.00 C ATOM 692 C HIS A 44 -0.379 4.504 7.509 1.00 0.00 C ATOM 693 O HIS A 44 -0.033 3.565 8.227 1.00 0.00 O ATOM 694 CB HIS A 44 0.149 6.882 8.153 1.00 0.00 C ATOM 695 CG HIS A 44 1.555 6.363 8.239 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.489 6.162 7.277 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.144 5.983 9.427 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.611 5.672 7.897 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.379 5.574 9.192 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.852 4.993 10.054 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.750 6.137 7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.057 7.498 7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.038 7.532 9.008 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.378 6.341 6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.670 6.015 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.535 5.409 7.404 1.00 0.00 H new ATOM 708 N LEU A 45 -0.287 4.474 6.185 1.00 0.00 N ATOM 709 CA LEU A 45 0.238 3.310 5.486 1.00 0.00 C ATOM 710 C LEU A 45 1.711 3.526 5.166 1.00 0.00 C ATOM 711 O LEU A 45 2.147 4.654 4.970 1.00 0.00 O ATOM 712 CB LEU A 45 -0.572 3.026 4.217 1.00 0.00 C ATOM 713 CG LEU A 45 0.060 2.024 3.244 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.236 0.596 3.681 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.441 2.267 1.826 1.00 0.00 C ATOM 0 H LEU A 45 -0.569 5.242 5.576 1.00 0.00 H new ATOM 0 HA LEU A 45 0.148 2.436 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.554 2.653 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.732 3.967 3.690 1.00 0.00 H new ATOM 0 HG LEU A 45 1.140 2.168 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.220 -0.101 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.174 0.428 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.314 0.438 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.018 1.546 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.524 2.151 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.176 3.277 1.515 1.00 0.00 H new ATOM 727 N ALA A 46 2.474 2.445 5.144 1.00 0.00 N ATOM 728 CA ALA A 46 3.908 2.528 4.876 1.00 0.00 C ATOM 729 C ALA A 46 4.275 1.852 3.559 1.00 0.00 C ATOM 730 O ALA A 46 3.590 0.930 3.114 1.00 0.00 O ATOM 731 CB ALA A 46 4.692 1.906 6.022 1.00 0.00 C ATOM 0 H ALA A 46 2.129 1.499 5.308 1.00 0.00 H new ATOM 0 HA ALA A 46 4.170 3.583 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.759 1.973 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.470 2.439 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.409 0.859 6.130 1.00 0.00 H new ATOM 737 N GLU A 47 5.365 2.304 2.941 1.00 0.00 N ATOM 738 CA GLU A 47 5.813 1.713 1.687 1.00 0.00 C ATOM 739 C GLU A 47 7.334 1.544 1.672 1.00 0.00 C ATOM 740 O GLU A 47 8.083 2.520 1.636 1.00 0.00 O ATOM 741 CB GLU A 47 5.361 2.559 0.509 1.00 0.00 C ATOM 742 CG GLU A 47 6.082 3.893 0.387 1.00 0.00 C ATOM 743 CD GLU A 47 5.210 4.972 -0.226 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.529 6.166 -0.046 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.210 4.623 -0.887 1.00 0.00 O ATOM 0 H GLU A 47 5.946 3.068 3.285 1.00 0.00 H new ATOM 0 HA GLU A 47 5.362 0.725 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.511 1.992 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.291 2.744 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.412 4.215 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.977 3.764 -0.222 1.00 0.00 H new ATOM 752 N VAL A 48 7.774 0.287 1.692 1.00 0.00 N ATOM 753 CA VAL A 48 9.195 -0.043 1.671 1.00 0.00 C ATOM 754 C VAL A 48 9.528 -0.962 0.509 1.00 0.00 C ATOM 755 O VAL A 48 8.874 -1.988 0.322 1.00 0.00 O ATOM 756 CB VAL A 48 9.661 -0.704 2.982 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.181 -0.779 3.026 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.119 0.052 4.186 1.00 0.00 C ATOM 0 H VAL A 48 7.159 -0.526 1.723 1.00 0.00 H new ATOM 0 HA VAL A 48 9.724 0.903 1.554 1.00 0.00 H new ATOM 0 HB VAL A 48 9.267 -1.720 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.495 -1.248 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.541 -1.369 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.597 0.227 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.459 -0.431 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.479 1.080 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.029 0.049 4.157 1.00 0.00 H new ATOM 768 N TRP A 49 10.547 -0.617 -0.264 1.00 0.00 N ATOM 769 CA TRP A 49 10.934 -1.455 -1.385 1.00 0.00 C ATOM 770 C TRP A 49 12.445 -1.440 -1.611 1.00 0.00 C ATOM 771 O TRP A 49 13.052 -0.380 -1.749 1.00 0.00 O ATOM 772 CB TRP A 49 10.170 -1.024 -2.639 1.00 0.00 C ATOM 773 CG TRP A 49 11.022 -0.520 -3.747 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.647 -1.242 -4.718 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.330 0.834 -3.983 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.330 -0.397 -5.557 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.152 0.893 -5.118 1.00 0.00 C ATOM 778 CE3 TRP A 49 10.976 1.999 -3.328 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.635 2.100 -5.616 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.450 3.202 -3.815 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.275 3.245 -4.951 1.00 0.00 C ATOM 0 H TRP A 49 11.112 0.223 -0.138 1.00 0.00 H new ATOM 0 HA TRP A 49 10.669 -2.487 -1.153 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.590 -1.872 -3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.459 -0.245 -2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.611 -2.317 -4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.878 -0.679 -6.370 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.342 1.969 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.268 2.134 -6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.183 4.121 -3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.633 4.199 -5.308 1.00 0.00 H new ATOM 792 N CYS A 50 13.041 -2.629 -1.657 1.00 0.00 N ATOM 793 CA CYS A 50 14.480 -2.763 -1.878 1.00 0.00 C ATOM 794 C CYS A 50 15.271 -1.805 -0.991 1.00 0.00 C ATOM 795 O CYS A 50 16.263 -1.218 -1.424 1.00 0.00 O ATOM 796 CB CYS A 50 14.812 -2.505 -3.350 1.00 0.00 C ATOM 797 SG CYS A 50 14.619 -3.954 -4.414 1.00 0.00 S ATOM 0 H CYS A 50 12.549 -3.515 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 50 14.766 -3.781 -1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.170 -1.706 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.839 -2.148 -3.423 1.00 0.00 H new ATOM 0 HG CYS A 50 14.920 -3.637 -5.638 1.00 0.00 H new ATOM 803 N GLY A 51 14.827 -1.653 0.252 1.00 0.00 N ATOM 804 CA GLY A 51 15.508 -0.768 1.176 1.00 0.00 C ATOM 805 C GLY A 51 14.922 0.632 1.190 1.00 0.00 C ATOM 806 O GLY A 51 15.186 1.410 2.107 1.00 0.00 O ATOM 0 H GLY A 51 14.009 -2.127 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.456 -1.189 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.563 -0.713 0.908 1.00 0.00 H new ATOM 810 N SER A 52 14.123 0.955 0.176 1.00 0.00 N ATOM 811 CA SER A 52 13.502 2.271 0.090 1.00 0.00 C ATOM 812 C SER A 52 12.223 2.311 0.912 1.00 0.00 C ATOM 813 O SER A 52 11.159 1.918 0.436 1.00 0.00 O ATOM 814 CB SER A 52 13.191 2.626 -1.367 1.00 0.00 C ATOM 815 OG SER A 52 13.994 3.705 -1.812 1.00 0.00 O ATOM 0 H SER A 52 13.892 0.326 -0.593 1.00 0.00 H new ATOM 0 HA SER A 52 14.204 3.003 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.362 1.756 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.138 2.889 -1.464 1.00 0.00 H new ATOM 0 HG SER A 52 13.598 4.097 -2.618 1.00 0.00 H new ATOM 821 N GLU A 53 12.331 2.793 2.144 1.00 0.00 N ATOM 822 CA GLU A 53 11.178 2.885 3.028 1.00 0.00 C ATOM 823 C GLU A 53 10.740 4.337 3.188 1.00 0.00 C ATOM 824 O GLU A 53 11.556 5.210 3.480 1.00 0.00 O ATOM 825 CB GLU A 53 11.509 2.287 4.397 1.00 0.00 C ATOM 826 CG GLU A 53 12.578 3.057 5.156 1.00 0.00 C ATOM 827 CD GLU A 53 13.117 2.289 6.347 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.311 1.062 6.224 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.345 2.916 7.403 1.00 0.00 O ATOM 0 H GLU A 53 13.205 3.126 2.552 1.00 0.00 H new ATOM 0 HA GLU A 53 10.359 2.320 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.601 2.254 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.841 1.257 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.399 3.293 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.163 4.005 5.498 1.00 0.00 H new ATOM 836 N ARG A 54 9.452 4.592 2.993 1.00 0.00 N ATOM 837 CA ARG A 54 8.920 5.944 3.116 1.00 0.00 C ATOM 838 C ARG A 54 7.489 5.928 3.649 1.00 0.00 C ATOM 839 O ARG A 54 6.735 4.985 3.400 1.00 0.00 O ATOM 840 CB ARG A 54 8.964 6.650 1.758 1.00 0.00 C ATOM 841 CG ARG A 54 9.586 8.036 1.812 1.00 0.00 C ATOM 842 CD ARG A 54 8.975 8.961 0.772 1.00 0.00 C ATOM 843 NE ARG A 54 7.657 9.444 1.176 1.00 0.00 N ATOM 844 CZ ARG A 54 6.848 10.144 0.382 1.00 0.00 C ATOM 845 NH1 ARG A 54 7.217 10.441 -0.857 1.00 0.00 N ATOM 846 NH2 ARG A 54 5.667 10.546 0.830 1.00 0.00 N ATOM 0 H ARG A 54 8.759 3.884 2.750 1.00 0.00 H new ATOM 0 HA ARG A 54 9.541 6.489 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.528 6.035 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.950 6.731 1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.445 8.461 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.661 7.960 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.638 9.811 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.892 8.434 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 54 7.337 9.233 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.124 10.133 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.593 10.977 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.378 10.319 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.047 11.082 0.223 1.00 0.00 H new ATOM 860 N PRO A 55 7.091 6.979 4.390 1.00 0.00 N ATOM 861 CA PRO A 55 5.744 7.086 4.950 1.00 0.00 C ATOM 862 C PRO A 55 4.709 7.367 3.867 1.00 0.00 C ATOM 863 O PRO A 55 4.912 8.228 3.012 1.00 0.00 O ATOM 864 CB PRO A 55 5.832 8.272 5.924 1.00 0.00 C ATOM 865 CG PRO A 55 7.283 8.618 6.016 1.00 0.00 C ATOM 866 CD PRO A 55 7.911 8.146 4.738 1.00 0.00 C ATOM 0 HA PRO A 55 5.430 6.160 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.250 9.120 5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.431 8.005 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.419 9.692 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.744 8.135 6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.877 8.911 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.959 7.879 4.876 1.00 0.00 H new ATOM 874 N VAL A 56 3.602 6.635 3.903 1.00 0.00 N ATOM 875 CA VAL A 56 2.544 6.809 2.920 1.00 0.00 C ATOM 876 C VAL A 56 1.226 7.202 3.589 1.00 0.00 C ATOM 877 O VAL A 56 0.769 6.556 4.538 1.00 0.00 O ATOM 878 CB VAL A 56 2.340 5.540 2.038 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.192 4.360 2.511 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.867 5.149 1.971 1.00 0.00 C ATOM 0 H VAL A 56 3.415 5.916 4.602 1.00 0.00 H new ATOM 0 HA VAL A 56 2.862 7.620 2.264 1.00 0.00 H new ATOM 0 HB VAL A 56 2.676 5.798 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.014 3.501 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.246 4.633 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.923 4.105 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.754 4.261 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.501 4.938 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.292 5.969 1.540 1.00 0.00 H new ATOM 890 N ALA A 57 0.616 8.263 3.073 1.00 0.00 N ATOM 891 CA ALA A 57 -0.650 8.750 3.598 1.00 0.00 C ATOM 892 C ALA A 57 -1.799 7.895 3.086 1.00 0.00 C ATOM 893 O ALA A 57 -1.777 7.433 1.946 1.00 0.00 O ATOM 894 CB ALA A 57 -0.854 10.198 3.196 1.00 0.00 C ATOM 0 H ALA A 57 0.981 8.803 2.288 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.628 8.685 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.804 10.555 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.042 10.805 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.863 10.276 2.109 1.00 0.00 H new ATOM 900 N ASP A 58 -2.799 7.677 3.934 1.00 0.00 N ATOM 901 CA ASP A 58 -3.942 6.858 3.554 1.00 0.00 C ATOM 902 C ASP A 58 -4.655 7.404 2.318 1.00 0.00 C ATOM 903 O ASP A 58 -5.474 6.711 1.719 1.00 0.00 O ATOM 904 CB ASP A 58 -4.940 6.737 4.704 1.00 0.00 C ATOM 905 CG ASP A 58 -4.287 6.286 5.995 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.245 5.600 5.923 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.816 6.618 7.075 1.00 0.00 O ATOM 0 H ASP A 58 -2.841 8.053 4.881 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.548 5.871 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.424 7.700 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.722 6.029 4.429 1.00 0.00 H new ATOM 912 N ASN A 59 -4.362 8.646 1.941 1.00 0.00 N ATOM 913 CA ASN A 59 -5.011 9.247 0.781 1.00 0.00 C ATOM 914 C ASN A 59 -4.181 9.072 -0.493 1.00 0.00 C ATOM 915 O ASN A 59 -4.374 9.794 -1.471 1.00 0.00 O ATOM 916 CB ASN A 59 -5.276 10.732 1.029 1.00 0.00 C ATOM 917 CG ASN A 59 -4.040 11.472 1.501 1.00 0.00 C ATOM 918 OD1 ASN A 59 -3.171 11.824 0.705 1.00 0.00 O ATOM 919 ND2 ASN A 59 -3.956 11.711 2.805 1.00 0.00 N ATOM 0 H ASN A 59 -3.689 9.248 2.415 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.959 8.729 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.641 11.191 0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.065 10.837 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.147 12.205 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.701 11.401 3.429 1.00 0.00 H new ATOM 926 N GLU A 60 -3.261 8.113 -0.477 1.00 0.00 N ATOM 927 CA GLU A 60 -2.404 7.850 -1.632 1.00 0.00 C ATOM 928 C GLU A 60 -3.040 6.830 -2.582 1.00 0.00 C ATOM 929 O GLU A 60 -3.509 5.776 -2.151 1.00 0.00 O ATOM 930 CB GLU A 60 -1.042 7.341 -1.163 1.00 0.00 C ATOM 931 CG GLU A 60 0.002 8.436 -1.022 1.00 0.00 C ATOM 932 CD GLU A 60 0.205 9.222 -2.303 1.00 0.00 C ATOM 933 OE1 GLU A 60 -0.331 8.800 -3.350 1.00 0.00 O ATOM 934 OE2 GLU A 60 0.897 10.260 -2.259 1.00 0.00 O ATOM 0 H GLU A 60 -3.088 7.504 0.323 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.279 8.786 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.162 6.839 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.680 6.594 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.298 9.118 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.950 7.991 -0.720 1.00 0.00 H new ATOM 941 N ARG A 61 -3.036 7.141 -3.878 1.00 0.00 N ATOM 942 CA ARG A 61 -3.603 6.241 -4.885 1.00 0.00 C ATOM 943 C ARG A 61 -2.590 5.157 -5.237 1.00 0.00 C ATOM 944 O ARG A 61 -1.396 5.433 -5.347 1.00 0.00 O ATOM 945 CB ARG A 61 -4.019 7.018 -6.140 1.00 0.00 C ATOM 946 CG ARG A 61 -5.523 7.078 -6.357 1.00 0.00 C ATOM 947 CD ARG A 61 -6.092 8.431 -5.958 1.00 0.00 C ATOM 948 NE ARG A 61 -6.026 9.395 -7.054 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.094 10.715 -6.886 1.00 0.00 C ATOM 950 NH1 ARG A 61 -6.235 11.230 -5.670 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.023 11.521 -7.936 1.00 0.00 N ATOM 0 H ARG A 61 -2.648 8.006 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.496 5.772 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.631 8.034 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.554 6.557 -7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.748 6.883 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.007 6.293 -5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.128 8.310 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.541 8.818 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.922 9.036 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.292 10.614 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.286 12.241 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.916 11.131 -8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.075 12.532 -7.808 1.00 0.00 H new ATOM 965 N MET A 62 -3.074 3.925 -5.411 1.00 0.00 N ATOM 966 CA MET A 62 -2.209 2.785 -5.734 1.00 0.00 C ATOM 967 C MET A 62 -0.971 3.231 -6.513 1.00 0.00 C ATOM 968 O MET A 62 0.060 3.578 -5.925 1.00 0.00 O ATOM 969 CB MET A 62 -2.990 1.723 -6.510 1.00 0.00 C ATOM 970 CG MET A 62 -2.193 0.453 -6.757 1.00 0.00 C ATOM 971 SD MET A 62 -2.214 -0.070 -8.481 1.00 0.00 S ATOM 972 CE MET A 62 -0.784 -1.148 -8.510 1.00 0.00 C ATOM 0 H MET A 62 -4.063 3.690 -5.334 1.00 0.00 H new ATOM 0 HA MET A 62 -1.867 2.345 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.897 1.473 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.303 2.139 -7.467 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.161 0.612 -6.444 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.595 -0.348 -6.136 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.090 -0.811 -9.280 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.289 -1.122 -7.539 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.101 -2.168 -8.729 1.00 0.00 H new ATOM 982 N PHE A 63 -1.087 3.247 -7.831 1.00 0.00 N ATOM 983 CA PHE A 63 0.021 3.669 -8.687 1.00 0.00 C ATOM 984 C PHE A 63 0.582 5.021 -8.247 1.00 0.00 C ATOM 985 O PHE A 63 1.777 5.279 -8.391 1.00 0.00 O ATOM 986 CB PHE A 63 -0.416 3.779 -10.152 1.00 0.00 C ATOM 987 CG PHE A 63 -1.380 2.721 -10.598 1.00 0.00 C ATOM 988 CD1 PHE A 63 -2.744 2.913 -10.465 1.00 0.00 C ATOM 989 CD2 PHE A 63 -0.924 1.541 -11.163 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.637 1.949 -10.886 1.00 0.00 C ATOM 991 CE2 PHE A 63 -1.812 0.571 -11.585 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.170 0.776 -11.447 1.00 0.00 C ATOM 0 H PHE A 63 -1.931 2.975 -8.334 1.00 0.00 H new ATOM 0 HA PHE A 63 0.793 2.906 -8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.872 4.757 -10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.470 3.735 -10.786 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.114 3.828 -10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.138 1.378 -11.275 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.699 2.111 -10.777 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.445 -0.346 -12.022 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.867 0.020 -11.777 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.285 5.887 -7.713 1.00 0.00 N ATOM 1003 CA ASP A 64 0.138 7.217 -7.278 1.00 0.00 C ATOM 1004 C ASP A 64 1.431 7.149 -6.491 1.00 0.00 C ATOM 1005 O ASP A 64 2.379 7.885 -6.764 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.948 7.882 -6.436 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.299 9.271 -6.934 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -0.402 10.138 -6.954 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.472 9.490 -7.303 1.00 0.00 O ATOM 0 H ASP A 64 -1.276 5.691 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 64 0.308 7.817 -8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.843 7.259 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.613 7.944 -5.401 1.00 0.00 H new ATOM 1014 N VAL A 65 1.470 6.244 -5.531 1.00 0.00 N ATOM 1015 CA VAL A 65 2.660 6.061 -4.723 1.00 0.00 C ATOM 1016 C VAL A 65 3.679 5.234 -5.483 1.00 0.00 C ATOM 1017 O VAL A 65 4.884 5.389 -5.319 1.00 0.00 O ATOM 1018 CB VAL A 65 2.336 5.362 -3.398 1.00 0.00 C ATOM 1019 CG1 VAL A 65 1.639 6.323 -2.449 1.00 0.00 C ATOM 1020 CG2 VAL A 65 1.487 4.124 -3.636 1.00 0.00 C ATOM 0 H VAL A 65 0.694 5.626 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 65 3.066 7.048 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 65 3.271 5.044 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.416 5.812 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.290 7.175 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.711 6.673 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.269 3.644 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.553 4.411 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.029 3.429 -4.277 1.00 0.00 H new ATOM 1030 N LEU A 66 3.161 4.356 -6.324 1.00 0.00 N ATOM 1031 CA LEU A 66 3.973 3.473 -7.140 1.00 0.00 C ATOM 1032 C LEU A 66 4.880 4.261 -8.079 1.00 0.00 C ATOM 1033 O LEU A 66 5.866 3.734 -8.593 1.00 0.00 O ATOM 1034 CB LEU A 66 3.040 2.555 -7.921 1.00 0.00 C ATOM 1035 CG LEU A 66 2.365 1.477 -7.075 1.00 0.00 C ATOM 1036 CD1 LEU A 66 1.434 0.629 -7.924 1.00 0.00 C ATOM 1037 CD2 LEU A 66 3.406 0.609 -6.385 1.00 0.00 C ATOM 0 H LEU A 66 2.157 4.236 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 66 4.626 2.881 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.270 3.160 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.607 2.073 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 66 1.768 1.970 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.965 -0.132 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.664 1.263 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.004 0.146 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.906 -0.153 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.033 0.128 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.026 1.229 -5.738 1.00 0.00 H new ATOM 1049 N GLN A 67 4.540 5.528 -8.298 1.00 0.00 N ATOM 1050 CA GLN A 67 5.323 6.390 -9.173 1.00 0.00 C ATOM 1051 C GLN A 67 6.612 6.853 -8.491 1.00 0.00 C ATOM 1052 O GLN A 67 7.589 7.185 -9.163 1.00 0.00 O ATOM 1053 CB GLN A 67 4.495 7.604 -9.596 1.00 0.00 C ATOM 1054 CG GLN A 67 4.757 8.054 -11.024 1.00 0.00 C ATOM 1055 CD GLN A 67 5.304 9.467 -11.101 1.00 0.00 C ATOM 1056 OE1 GLN A 67 4.633 10.379 -11.585 1.00 0.00 O ATOM 1057 NE2 GLN A 67 6.528 9.655 -10.623 1.00 0.00 N ATOM 0 H GLN A 67 3.726 5.979 -7.880 1.00 0.00 H new ATOM 0 HA GLN A 67 5.594 5.811 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.437 7.367 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.707 8.431 -8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.464 7.369 -11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.830 7.996 -11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.048 8.870 -10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.948 10.584 -10.648 1.00 0.00 H new ATOM 1066 N ARG A 68 6.610 6.888 -7.159 1.00 0.00 N ATOM 1067 CA ARG A 68 7.783 7.325 -6.410 1.00 0.00 C ATOM 1068 C ARG A 68 8.810 6.205 -6.260 1.00 0.00 C ATOM 1069 O ARG A 68 9.985 6.467 -6.002 1.00 0.00 O ATOM 1070 CB ARG A 68 7.374 7.856 -5.035 1.00 0.00 C ATOM 1071 CG ARG A 68 6.842 6.789 -4.093 1.00 0.00 C ATOM 1072 CD ARG A 68 7.351 6.988 -2.675 1.00 0.00 C ATOM 1073 NE ARG A 68 8.081 5.820 -2.183 1.00 0.00 N ATOM 1074 CZ ARG A 68 9.382 5.816 -1.888 1.00 0.00 C ATOM 1075 NH1 ARG A 68 10.115 6.913 -2.041 1.00 0.00 N ATOM 1076 NH2 ARG A 68 9.952 4.706 -1.439 1.00 0.00 N ATOM 0 H ARG A 68 5.813 6.620 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 68 8.251 8.130 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.235 8.338 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.611 8.624 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.752 6.812 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.141 5.804 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.002 7.862 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.509 7.194 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 68 7.561 4.951 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.684 7.770 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.109 6.898 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.396 3.859 -1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.946 4.699 -1.212 1.00 0.00 H new ATOM 1090 N PHE A 69 8.376 4.957 -6.434 1.00 0.00 N ATOM 1091 CA PHE A 69 9.288 3.821 -6.322 1.00 0.00 C ATOM 1092 C PHE A 69 10.081 3.644 -7.616 1.00 0.00 C ATOM 1093 O PHE A 69 10.078 2.569 -8.216 1.00 0.00 O ATOM 1094 CB PHE A 69 8.526 2.527 -6.006 1.00 0.00 C ATOM 1095 CG PHE A 69 7.645 2.602 -4.787 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.041 2.032 -3.583 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.417 3.230 -4.850 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.227 2.089 -2.465 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.598 3.291 -3.743 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.001 2.725 -2.555 1.00 0.00 C ATOM 0 H PHE A 69 7.411 4.709 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 69 9.976 4.028 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.912 2.263 -6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.246 1.721 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.999 1.537 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.094 3.679 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.545 1.643 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.639 3.783 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.358 2.777 -1.689 1.00 0.00 H new ATOM 1110 N GLY A 70 10.758 4.708 -8.047 1.00 0.00 N ATOM 1111 CA GLY A 70 11.539 4.648 -9.269 1.00 0.00 C ATOM 1112 C GLY A 70 10.727 4.154 -10.451 1.00 0.00 C ATOM 1113 O GLY A 70 9.800 4.827 -10.901 1.00 0.00 O ATOM 0 H GLY A 70 10.778 5.609 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.935 5.638 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.394 3.989 -9.118 1.00 0.00 H new ATOM 1117 N SER A 71 11.072 2.972 -10.948 1.00 0.00 N ATOM 1118 CA SER A 71 10.367 2.380 -12.078 1.00 0.00 C ATOM 1119 C SER A 71 10.001 0.932 -11.777 1.00 0.00 C ATOM 1120 O SER A 71 9.968 0.088 -12.672 1.00 0.00 O ATOM 1121 CB SER A 71 11.228 2.451 -13.341 1.00 0.00 C ATOM 1122 OG SER A 71 11.884 3.703 -13.442 1.00 0.00 O ATOM 0 H SER A 71 11.837 2.404 -10.585 1.00 0.00 H new ATOM 0 HA SER A 71 9.451 2.946 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.967 1.650 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.603 2.292 -14.220 1.00 0.00 H new ATOM 0 HG SER A 71 12.429 3.722 -14.256 1.00 0.00 H new ATOM 1128 N GLN A 72 9.732 0.653 -10.506 1.00 0.00 N ATOM 1129 CA GLN A 72 9.374 -0.692 -10.075 1.00 0.00 C ATOM 1130 C GLN A 72 8.205 -0.656 -9.094 1.00 0.00 C ATOM 1131 O GLN A 72 8.401 -0.634 -7.879 1.00 0.00 O ATOM 1132 CB GLN A 72 10.580 -1.374 -9.428 1.00 0.00 C ATOM 1133 CG GLN A 72 11.739 -1.594 -10.386 1.00 0.00 C ATOM 1134 CD GLN A 72 12.943 -0.735 -10.054 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.275 0.198 -10.787 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.605 -1.044 -8.946 1.00 0.00 N ATOM 0 H GLN A 72 9.755 1.343 -9.755 1.00 0.00 H new ATOM 0 HA GLN A 72 9.068 -1.262 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 72 10.923 -0.769 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.268 -2.336 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.030 -2.644 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.411 -1.376 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.295 -1.825 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.424 -0.500 -8.673 1.00 0.00 H new ATOM 1145 N ARG A 73 6.991 -0.646 -9.632 1.00 0.00 N ATOM 1146 CA ARG A 73 5.786 -0.609 -8.810 1.00 0.00 C ATOM 1147 C ARG A 73 5.512 -1.966 -8.163 1.00 0.00 C ATOM 1148 O ARG A 73 4.855 -2.045 -7.125 1.00 0.00 O ATOM 1149 CB ARG A 73 4.583 -0.183 -9.652 1.00 0.00 C ATOM 1150 CG ARG A 73 4.286 -1.124 -10.809 1.00 0.00 C ATOM 1151 CD ARG A 73 3.593 -0.400 -11.951 1.00 0.00 C ATOM 1152 NE ARG A 73 4.051 -0.869 -13.256 1.00 0.00 N ATOM 1153 CZ ARG A 73 3.886 -0.189 -14.389 1.00 0.00 C ATOM 1154 NH1 ARG A 73 3.275 0.990 -14.380 1.00 0.00 N ATOM 1155 NH2 ARG A 73 4.333 -0.689 -15.533 1.00 0.00 N ATOM 0 H ARG A 73 6.814 -0.663 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 73 5.947 0.120 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.704 -0.121 -9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.761 0.818 -10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.215 -1.566 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.657 -1.943 -10.461 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.516 -0.545 -11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.777 0.671 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 73 4.525 -1.771 -13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.930 1.379 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.151 1.507 -15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.803 -1.594 -15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.207 -0.168 -16.401 1.00 0.00 H new ATOM 1169 N ASN A 74 6.013 -3.031 -8.784 1.00 0.00 N ATOM 1170 CA ASN A 74 5.813 -4.382 -8.265 1.00 0.00 C ATOM 1171 C ASN A 74 6.993 -4.824 -7.401 1.00 0.00 C ATOM 1172 O ASN A 74 7.293 -6.013 -7.309 1.00 0.00 O ATOM 1173 CB ASN A 74 5.615 -5.367 -9.418 1.00 0.00 C ATOM 1174 CG ASN A 74 4.204 -5.331 -9.974 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.280 -4.845 -9.322 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.032 -5.849 -11.185 1.00 0.00 N ATOM 0 H ASN A 74 6.559 -2.985 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 74 4.919 -4.372 -7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.322 -5.137 -10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.841 -6.376 -9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.105 -5.854 -11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.827 -6.241 -11.689 1.00 0.00 H new ATOM 1183 N GLU A 75 7.660 -3.859 -6.774 1.00 0.00 N ATOM 1184 CA GLU A 75 8.809 -4.148 -5.921 1.00 0.00 C ATOM 1185 C GLU A 75 8.628 -3.574 -4.518 1.00 0.00 C ATOM 1186 O GLU A 75 9.452 -3.812 -3.635 1.00 0.00 O ATOM 1187 CB GLU A 75 10.078 -3.557 -6.535 1.00 0.00 C ATOM 1188 CG GLU A 75 11.342 -4.322 -6.178 1.00 0.00 C ATOM 1189 CD GLU A 75 11.641 -5.441 -7.155 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.007 -5.139 -8.310 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.509 -6.620 -6.764 1.00 0.00 O ATOM 0 H GLU A 75 7.424 -2.869 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 75 8.894 -5.232 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.971 -3.536 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.184 -2.524 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.185 -3.632 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.240 -4.737 -5.175 1.00 0.00 H new ATOM 1198 N VAL A 76 7.562 -2.802 -4.322 1.00 0.00 N ATOM 1199 CA VAL A 76 7.296 -2.172 -3.031 1.00 0.00 C ATOM 1200 C VAL A 76 6.370 -3.011 -2.162 1.00 0.00 C ATOM 1201 O VAL A 76 5.609 -3.845 -2.652 1.00 0.00 O ATOM 1202 CB VAL A 76 6.711 -0.748 -3.200 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.282 -0.487 -4.638 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.558 -0.482 -2.233 1.00 0.00 C ATOM 0 H VAL A 76 6.868 -2.597 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 76 8.259 -2.097 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 76 7.511 -0.050 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.876 0.521 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.144 -0.586 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.519 -1.209 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.179 0.528 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.759 -1.201 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.913 -0.584 -1.207 1.00 0.00 H new ATOM 1214 N ARG A 77 6.439 -2.755 -0.862 1.00 0.00 N ATOM 1215 CA ARG A 77 5.611 -3.441 0.114 1.00 0.00 C ATOM 1216 C ARG A 77 4.734 -2.434 0.838 1.00 0.00 C ATOM 1217 O ARG A 77 5.206 -1.375 1.247 1.00 0.00 O ATOM 1218 CB ARG A 77 6.490 -4.186 1.120 1.00 0.00 C ATOM 1219 CG ARG A 77 7.177 -5.413 0.540 1.00 0.00 C ATOM 1220 CD ARG A 77 8.006 -6.136 1.590 1.00 0.00 C ATOM 1221 NE ARG A 77 9.337 -6.480 1.095 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.596 -7.543 0.337 1.00 0.00 C ATOM 1223 NH1 ARG A 77 8.618 -8.366 -0.021 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.836 -7.783 -0.066 1.00 0.00 N ATOM 0 H ARG A 77 7.072 -2.065 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 77 4.978 -4.164 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.248 -3.503 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.878 -4.490 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.428 -6.093 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.818 -5.114 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.100 -5.506 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.488 -7.044 1.899 1.00 0.00 H new ATOM 0 HE ARG A 77 10.114 -5.869 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.662 -8.185 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.823 -9.179 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.591 -7.153 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.035 -8.598 -0.647 1.00 0.00 H new ATOM 1238 N PHE A 78 3.460 -2.771 0.999 1.00 0.00 N ATOM 1239 CA PHE A 78 2.522 -1.903 1.695 1.00 0.00 C ATOM 1240 C PHE A 78 2.272 -2.472 3.083 1.00 0.00 C ATOM 1241 O PHE A 78 2.113 -3.677 3.233 1.00 0.00 O ATOM 1242 CB PHE A 78 1.208 -1.784 0.917 1.00 0.00 C ATOM 1243 CG PHE A 78 1.265 -0.809 -0.229 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.362 -0.771 -1.076 1.00 0.00 C ATOM 1245 CD2 PHE A 78 0.217 0.068 -0.461 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.410 0.121 -2.132 1.00 0.00 C ATOM 1247 CE2 PHE A 78 0.262 0.962 -1.514 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.360 0.987 -2.349 1.00 0.00 C ATOM 0 H PHE A 78 3.054 -3.641 0.656 1.00 0.00 H new ATOM 0 HA PHE A 78 2.945 -0.902 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.934 -2.766 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.417 -1.479 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.189 -1.446 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.645 0.053 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.269 0.139 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.561 1.640 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.397 1.685 -3.172 1.00 0.00 H new ATOM 1258 N PHE A 79 2.287 -1.619 4.098 1.00 0.00 N ATOM 1259 CA PHE A 79 2.098 -2.077 5.475 1.00 0.00 C ATOM 1260 C PHE A 79 1.273 -1.081 6.278 1.00 0.00 C ATOM 1261 O PHE A 79 1.385 0.127 6.084 1.00 0.00 O ATOM 1262 CB PHE A 79 3.465 -2.302 6.138 1.00 0.00 C ATOM 1263 CG PHE A 79 4.615 -2.198 5.173 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.417 -3.292 4.894 1.00 0.00 C ATOM 1265 CD2 PHE A 79 4.877 -1.000 4.532 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.458 -3.190 3.994 1.00 0.00 C ATOM 1267 CE2 PHE A 79 5.914 -0.887 3.628 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.705 -1.991 3.359 1.00 0.00 C ATOM 0 H PHE A 79 2.427 -0.613 4.000 1.00 0.00 H new ATOM 0 HA PHE A 79 1.550 -3.019 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.600 -1.571 6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.478 -3.287 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.226 -4.234 5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.260 -0.139 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.079 -4.049 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.107 0.054 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.517 -1.913 2.651 1.00 0.00 H new ATOM 1278 N LEU A 80 0.439 -1.587 7.184 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.394 -0.713 8.004 1.00 0.00 C ATOM 1280 C LEU A 80 0.291 -0.382 9.326 1.00 0.00 C ATOM 1281 O LEU A 80 0.615 -1.273 10.111 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.757 -1.360 8.263 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.967 -0.485 7.924 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.136 0.622 8.954 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.830 0.099 6.525 1.00 0.00 C ATOM 0 H LEU A 80 0.323 -2.584 7.367 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.544 0.217 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.821 -2.281 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.815 -1.641 9.315 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.859 -1.111 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.001 1.232 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.285 0.182 9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.243 1.247 8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.699 0.718 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.928 0.708 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.765 -0.710 5.798 1.00 0.00 H new ATOM 1297 N ARG A 81 0.510 0.910 9.562 1.00 0.00 N ATOM 1298 CA ARG A 81 1.158 1.365 10.787 1.00 0.00 C ATOM 1299 C ARG A 81 0.144 1.992 11.739 1.00 0.00 C ATOM 1300 O ARG A 81 -0.558 2.938 11.378 1.00 0.00 O ATOM 1301 CB ARG A 81 2.260 2.375 10.461 1.00 0.00 C ATOM 1302 CG ARG A 81 3.447 1.767 9.731 1.00 0.00 C ATOM 1303 CD ARG A 81 4.761 2.362 10.212 1.00 0.00 C ATOM 1304 NE ARG A 81 5.809 2.268 9.198 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.943 2.964 9.237 1.00 0.00 C ATOM 1306 NH1 ARG A 81 7.177 3.810 10.233 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.845 2.815 8.277 1.00 0.00 N ATOM 0 H ARG A 81 0.248 1.659 8.921 1.00 0.00 H new ATOM 0 HA ARG A 81 1.602 0.498 11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.840 3.174 9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.609 2.831 11.388 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.457 0.688 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.341 1.935 8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.609 3.408 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.084 1.845 11.116 1.00 0.00 H new ATOM 0 HE ARG A 81 5.663 1.632 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.486 3.929 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.048 4.341 10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.670 2.167 7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.714 3.348 8.307 1.00 0.00 H new