USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 49 MET CE :methyl 177:sc= 0 (180deg=-0.0102) USER MOD Set 1.2: A 54 MET CE :methyl 169:sc=-0.00163 (180deg=-0.236) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc=-0.00676 (180deg=-0.107) USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.282 USER MOD Single : A 10 SER OG : rot 80:sc= 0.554 USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.0124 (180deg=-0.454) USER MOD Single : A 28 ASN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD Single : A 30 MET CE :methyl -149:sc= 0 (180deg=-0.449) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.957 K(o=0.96,f=-0.81) USER MOD Single : A 46 GLN : amide:sc= -0.0776 K(o=-0.078,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.43 (180deg=-0.792) USER MOD Single : A 51 TYR OH : rot 179:sc= 1.31 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00864 X(o=-0.0086,f=-0.4) USER MOD Single : A 72 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= -2.63 (180deg=-2.71) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 1.09 (180deg=0.294) USER MOD Single : A 82 LYS NZ :NH3+ -127:sc= 0.382 (180deg=-0.527) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 2.434 -8.958 12.248 1.00 0.00 N ATOM 32 CA LYS A 2 1.576 -7.827 11.865 1.00 0.00 C ATOM 33 C LYS A 2 2.261 -6.848 10.914 1.00 0.00 C ATOM 34 O LYS A 2 2.816 -5.834 11.348 1.00 0.00 O ATOM 35 CB LYS A 2 1.002 -7.158 13.122 1.00 0.00 C ATOM 36 CG LYS A 2 -0.053 -6.117 12.721 1.00 0.00 C ATOM 37 CD LYS A 2 -0.942 -5.701 13.900 1.00 0.00 C ATOM 38 CE LYS A 2 -0.169 -4.881 14.934 1.00 0.00 C ATOM 39 NZ LYS A 2 -1.088 -4.144 15.821 1.00 0.00 N ATOM 0 HA LYS A 2 0.740 -8.218 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.556 -7.909 13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.801 -6.680 13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.445 -5.236 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.677 -6.524 11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.786 -5.118 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.354 -6.591 14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.463 -5.541 15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.492 -4.179 14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.538 -3.596 16.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.674 -3.498 15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.702 -4.818 16.322 1.00 0.00 H new ATOM 53 N VAL A 3 2.279 -7.209 9.634 1.00 0.00 N ATOM 54 CA VAL A 3 3.088 -6.493 8.667 1.00 0.00 C ATOM 55 C VAL A 3 2.417 -5.154 8.336 1.00 0.00 C ATOM 56 O VAL A 3 1.191 -5.020 8.427 1.00 0.00 O ATOM 57 CB VAL A 3 3.419 -7.433 7.479 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.792 -7.039 6.139 1.00 0.00 C ATOM 59 CG2 VAL A 3 4.938 -7.572 7.327 1.00 0.00 C ATOM 0 H VAL A 3 1.745 -7.988 9.249 1.00 0.00 H new ATOM 0 HA VAL A 3 4.064 -6.210 9.060 1.00 0.00 H new ATOM 0 HB VAL A 3 2.964 -8.389 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.084 -7.759 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.706 -7.031 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.139 -6.046 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.161 -8.234 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.376 -6.592 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.359 -7.989 8.242 1.00 0.00 H new ATOM 69 N LYS A 4 3.228 -4.150 7.986 1.00 0.00 N ATOM 70 CA LYS A 4 2.789 -2.779 7.761 1.00 0.00 C ATOM 71 C LYS A 4 2.622 -2.552 6.274 1.00 0.00 C ATOM 72 O LYS A 4 3.506 -2.876 5.482 1.00 0.00 O ATOM 73 CB LYS A 4 3.823 -1.778 8.307 1.00 0.00 C ATOM 74 CG LYS A 4 3.471 -1.255 9.700 1.00 0.00 C ATOM 75 CD LYS A 4 3.524 -2.317 10.809 1.00 0.00 C ATOM 76 CE LYS A 4 2.993 -1.745 12.128 1.00 0.00 C ATOM 77 NZ LYS A 4 3.719 -0.536 12.573 1.00 0.00 N ATOM 0 H LYS A 4 4.231 -4.277 7.849 1.00 0.00 H new ATOM 0 HA LYS A 4 1.843 -2.625 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.801 -2.257 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.904 -0.937 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.156 -0.446 9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.469 -0.827 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.932 -3.185 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.550 -2.661 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.936 -1.504 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.064 -2.509 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.419 -0.286 13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.742 -0.723 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.507 0.253 11.929 1.00 0.00 H new ATOM 91 N ILE A 5 1.513 -1.933 5.903 1.00 0.00 N ATOM 92 CA ILE A 5 1.264 -1.441 4.570 1.00 0.00 C ATOM 93 C ILE A 5 0.662 -0.046 4.761 1.00 0.00 C ATOM 94 O ILE A 5 -0.045 0.215 5.740 1.00 0.00 O ATOM 95 CB ILE A 5 0.336 -2.433 3.833 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.951 -3.831 3.587 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.193 -1.895 2.494 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.627 -4.843 4.694 1.00 0.00 C ATOM 0 H ILE A 5 0.741 -1.757 6.546 1.00 0.00 H new ATOM 0 HA ILE A 5 2.156 -1.363 3.949 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.492 -2.545 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.588 -4.217 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.033 -3.733 3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.837 -2.642 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.763 -0.982 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.646 -1.679 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.089 -5.801 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.014 -4.478 5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.453 -4.969 4.767 1.00 0.00 H new ATOM 110 N GLU A 6 0.892 0.859 3.818 1.00 0.00 N ATOM 111 CA GLU A 6 0.171 2.119 3.745 1.00 0.00 C ATOM 112 C GLU A 6 -0.158 2.373 2.280 1.00 0.00 C ATOM 113 O GLU A 6 0.635 2.033 1.399 1.00 0.00 O ATOM 114 CB GLU A 6 0.991 3.292 4.298 1.00 0.00 C ATOM 115 CG GLU A 6 1.515 3.179 5.735 1.00 0.00 C ATOM 116 CD GLU A 6 2.031 4.535 6.244 1.00 0.00 C ATOM 117 OE1 GLU A 6 2.658 5.292 5.460 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.774 4.861 7.425 1.00 0.00 O ATOM 0 H GLU A 6 1.586 0.737 3.081 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.730 2.048 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.846 3.443 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.377 4.190 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.720 2.821 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.317 2.442 5.776 1.00 0.00 H new ATOM 125 N LEU A 7 -1.304 2.996 2.016 1.00 0.00 N ATOM 126 CA LEU A 7 -1.812 3.234 0.676 1.00 0.00 C ATOM 127 C LEU A 7 -2.180 4.707 0.556 1.00 0.00 C ATOM 128 O LEU A 7 -3.277 5.085 0.971 1.00 0.00 O ATOM 129 CB LEU A 7 -3.039 2.334 0.446 1.00 0.00 C ATOM 130 CG LEU A 7 -3.355 2.028 -1.029 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.170 3.203 -2.000 1.00 0.00 C ATOM 132 CD2 LEU A 7 -2.555 0.805 -1.479 1.00 0.00 C ATOM 0 H LEU A 7 -1.916 3.356 2.748 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.062 2.996 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.883 1.392 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.910 2.810 0.897 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.424 1.821 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.418 2.882 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.826 4.023 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.134 3.540 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.779 0.588 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.489 1.007 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.826 -0.053 -0.864 1.00 0.00 H new ATOM 144 N PHE A 8 -1.293 5.541 0.011 1.00 0.00 N ATOM 145 CA PHE A 8 -1.416 6.992 0.037 1.00 0.00 C ATOM 146 C PHE A 8 -1.422 7.552 -1.387 1.00 0.00 C ATOM 147 O PHE A 8 -0.383 7.878 -1.972 1.00 0.00 O ATOM 148 CB PHE A 8 -0.322 7.548 0.959 1.00 0.00 C ATOM 149 CG PHE A 8 -0.334 9.041 1.184 1.00 0.00 C ATOM 150 CD1 PHE A 8 -1.489 9.680 1.657 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.828 9.795 0.960 1.00 0.00 C ATOM 152 CE1 PHE A 8 -1.483 11.068 1.859 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.839 11.182 1.156 1.00 0.00 C ATOM 154 CZ PHE A 8 -0.327 11.827 1.600 1.00 0.00 C ATOM 0 H PHE A 8 -0.454 5.216 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.370 7.314 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.407 7.055 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.648 7.272 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.380 9.106 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.729 9.298 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.375 11.559 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.737 11.751 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.336 12.898 1.742 1.00 0.00 H new ATOM 164 N THR A 9 -2.606 7.603 -1.997 1.00 0.00 N ATOM 165 CA THR A 9 -2.887 8.205 -3.300 1.00 0.00 C ATOM 166 C THR A 9 -4.394 8.558 -3.344 1.00 0.00 C ATOM 167 O THR A 9 -5.036 8.726 -2.300 1.00 0.00 O ATOM 168 CB THR A 9 -2.435 7.266 -4.455 1.00 0.00 C ATOM 169 OG1 THR A 9 -1.288 6.525 -4.108 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.137 8.039 -5.753 1.00 0.00 C ATOM 0 H THR A 9 -3.442 7.203 -1.571 1.00 0.00 H new ATOM 0 HA THR A 9 -2.315 9.122 -3.440 1.00 0.00 H new ATOM 0 HB THR A 9 -3.272 6.589 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.703 7.073 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.825 7.340 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.035 8.565 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.340 8.760 -5.572 1.00 0.00 H new ATOM 178 N SER A 10 -4.945 8.677 -4.557 1.00 0.00 N ATOM 179 CA SER A 10 -6.271 9.070 -5.020 1.00 0.00 C ATOM 180 C SER A 10 -6.092 10.302 -5.910 1.00 0.00 C ATOM 181 O SER A 10 -6.030 11.410 -5.386 1.00 0.00 O ATOM 182 CB SER A 10 -7.291 9.326 -3.905 1.00 0.00 C ATOM 183 OG SER A 10 -7.549 8.101 -3.246 1.00 0.00 O ATOM 0 H SER A 10 -4.365 8.461 -5.367 1.00 0.00 H new ATOM 0 HA SER A 10 -6.700 8.234 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.905 10.062 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.212 9.735 -4.320 1.00 0.00 H new ATOM 0 HG SER A 10 -6.827 7.913 -2.611 1.00 0.00 H new ATOM 274 N PRO A 17 -11.165 1.372 -3.965 1.00 0.00 N ATOM 275 CA PRO A 17 -10.529 0.060 -3.907 1.00 0.00 C ATOM 276 C PRO A 17 -9.089 0.176 -3.391 1.00 0.00 C ATOM 277 O PRO A 17 -8.900 0.309 -2.190 1.00 0.00 O ATOM 278 CB PRO A 17 -10.678 -0.535 -5.312 1.00 0.00 C ATOM 279 CG PRO A 17 -10.667 0.697 -6.210 1.00 0.00 C ATOM 280 CD PRO A 17 -11.398 1.729 -5.359 1.00 0.00 C ATOM 0 HA PRO A 17 -10.997 -0.617 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.861 -1.216 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.604 -1.101 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.653 1.015 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.178 0.515 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.028 2.733 -5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.464 1.729 -5.584 1.00 0.00 H new ATOM 288 N ALA A 18 -8.068 0.162 -4.262 1.00 0.00 N ATOM 289 CA ALA A 18 -6.651 0.326 -3.935 1.00 0.00 C ATOM 290 C ALA A 18 -6.202 -0.549 -2.746 1.00 0.00 C ATOM 291 O ALA A 18 -5.871 -1.729 -2.912 1.00 0.00 O ATOM 292 CB ALA A 18 -6.378 1.829 -3.732 1.00 0.00 C ATOM 0 H ALA A 18 -8.220 0.029 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.041 -0.035 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.326 1.978 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.617 2.369 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.997 2.205 -2.917 1.00 0.00 H new ATOM 298 N ALA A 19 -6.249 0.008 -1.534 1.00 0.00 N ATOM 299 CA ALA A 19 -6.000 -0.693 -0.286 1.00 0.00 C ATOM 300 C ALA A 19 -6.872 -1.934 -0.151 1.00 0.00 C ATOM 301 O ALA A 19 -6.430 -2.892 0.458 1.00 0.00 O ATOM 302 CB ALA A 19 -6.284 0.237 0.886 1.00 0.00 C ATOM 0 H ALA A 19 -6.470 0.994 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.956 -1.005 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.097 -0.290 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.633 1.109 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.325 0.558 0.852 1.00 0.00 H new ATOM 308 N LYS A 20 -8.069 -1.966 -0.736 1.00 0.00 N ATOM 309 CA LYS A 20 -8.895 -3.166 -0.795 1.00 0.00 C ATOM 310 C LYS A 20 -8.157 -4.308 -1.493 1.00 0.00 C ATOM 311 O LYS A 20 -8.207 -5.437 -1.011 1.00 0.00 O ATOM 312 CB LYS A 20 -10.223 -2.846 -1.491 1.00 0.00 C ATOM 313 CG LYS A 20 -11.100 -1.878 -0.674 1.00 0.00 C ATOM 314 CD LYS A 20 -11.810 -2.514 0.529 1.00 0.00 C ATOM 315 CE LYS A 20 -12.974 -3.410 0.091 1.00 0.00 C ATOM 316 NZ LYS A 20 -12.621 -4.842 0.053 1.00 0.00 N ATOM 0 H LYS A 20 -8.493 -1.154 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.109 -3.498 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.021 -2.410 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.772 -3.772 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.477 -1.057 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.851 -1.445 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.095 -3.102 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.182 -1.730 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.812 -3.267 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.312 -3.099 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.458 -5.412 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.290 -5.093 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.866 -5.032 0.742 1.00 0.00 H new ATOM 330 N ARG A 21 -7.467 -4.056 -2.608 1.00 0.00 N ATOM 331 CA ARG A 21 -6.691 -5.102 -3.279 1.00 0.00 C ATOM 332 C ARG A 21 -5.478 -5.434 -2.446 1.00 0.00 C ATOM 333 O ARG A 21 -5.160 -6.609 -2.332 1.00 0.00 O ATOM 334 CB ARG A 21 -6.205 -4.688 -4.670 1.00 0.00 C ATOM 335 CG ARG A 21 -7.390 -4.427 -5.606 1.00 0.00 C ATOM 336 CD ARG A 21 -7.058 -3.399 -6.692 1.00 0.00 C ATOM 337 NE ARG A 21 -6.410 -3.987 -7.876 1.00 0.00 N ATOM 338 CZ ARG A 21 -6.518 -3.490 -9.114 1.00 0.00 C ATOM 339 NH1 ARG A 21 -6.996 -2.266 -9.302 1.00 0.00 N ATOM 340 NH2 ARG A 21 -6.178 -4.236 -10.157 1.00 0.00 N ATOM 0 H ARG A 21 -7.429 -3.144 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.355 -5.959 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.592 -3.790 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.572 -5.471 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.692 -5.363 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.240 -4.074 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.976 -2.898 -7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.404 -2.635 -6.271 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.844 -4.825 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.282 -1.702 -8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.077 -1.890 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.835 -5.186 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.259 -3.860 -11.101 1.00 0.00 H new ATOM 354 N VAL A 22 -4.800 -4.426 -1.897 1.00 0.00 N ATOM 355 CA VAL A 22 -3.600 -4.715 -1.119 1.00 0.00 C ATOM 356 C VAL A 22 -3.981 -5.540 0.133 1.00 0.00 C ATOM 357 O VAL A 22 -3.364 -6.559 0.399 1.00 0.00 O ATOM 358 CB VAL A 22 -2.794 -3.421 -0.878 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.423 -3.706 -0.263 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.515 -2.683 -2.207 1.00 0.00 C ATOM 0 H VAL A 22 -5.049 -3.440 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.907 -5.353 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.404 -2.820 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.890 -2.767 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.552 -4.210 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.849 -4.344 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.946 -1.775 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.942 -3.331 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.460 -2.421 -2.683 1.00 0.00 H new ATOM 370 N VAL A 23 -5.049 -5.206 0.865 1.00 0.00 N ATOM 371 CA VAL A 23 -5.492 -5.971 2.033 1.00 0.00 C ATOM 372 C VAL A 23 -5.965 -7.366 1.620 1.00 0.00 C ATOM 373 O VAL A 23 -5.733 -8.316 2.359 1.00 0.00 O ATOM 374 CB VAL A 23 -6.516 -5.152 2.865 1.00 0.00 C ATOM 375 CG1 VAL A 23 -7.956 -5.206 2.351 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.527 -5.553 4.341 1.00 0.00 C ATOM 0 H VAL A 23 -5.632 -4.394 0.662 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.651 -6.145 2.704 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.158 -4.129 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.596 -4.604 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.995 -4.814 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.305 -6.239 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.260 -4.950 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.790 -6.607 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.539 -5.388 4.770 1.00 0.00 H new ATOM 386 N GLU A 24 -6.586 -7.517 0.446 1.00 0.00 N ATOM 387 CA GLU A 24 -6.957 -8.810 -0.117 1.00 0.00 C ATOM 388 C GLU A 24 -5.702 -9.674 -0.346 1.00 0.00 C ATOM 389 O GLU A 24 -5.633 -10.827 0.107 1.00 0.00 O ATOM 390 CB GLU A 24 -7.764 -8.506 -1.389 1.00 0.00 C ATOM 391 CG GLU A 24 -8.462 -9.648 -2.117 1.00 0.00 C ATOM 392 CD GLU A 24 -9.171 -9.057 -3.345 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.067 -8.195 -3.184 1.00 0.00 O ATOM 394 OE2 GLU A 24 -8.788 -9.407 -4.484 1.00 0.00 O ATOM 0 H GLU A 24 -6.847 -6.729 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.576 -9.406 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.525 -7.770 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.089 -8.028 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.740 -10.406 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.181 -10.138 -1.460 1.00 0.00 H new ATOM 401 N GLU A 25 -4.707 -9.102 -1.026 1.00 0.00 N ATOM 402 CA GLU A 25 -3.388 -9.667 -1.271 1.00 0.00 C ATOM 403 C GLU A 25 -2.765 -10.135 0.045 1.00 0.00 C ATOM 404 O GLU A 25 -2.552 -11.339 0.192 1.00 0.00 O ATOM 405 CB GLU A 25 -2.536 -8.664 -2.081 1.00 0.00 C ATOM 406 CG GLU A 25 -1.013 -8.862 -1.942 1.00 0.00 C ATOM 407 CD GLU A 25 -0.363 -7.831 -1.030 1.00 0.00 C ATOM 408 OE1 GLU A 25 -0.316 -6.650 -1.430 1.00 0.00 O ATOM 409 OE2 GLU A 25 0.117 -8.247 0.042 1.00 0.00 O ATOM 0 H GLU A 25 -4.811 -8.177 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.452 -10.563 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.806 -8.745 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.789 -7.652 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.816 -9.861 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.553 -8.808 -2.929 1.00 0.00 H new ATOM 416 N VAL A 26 -2.531 -9.237 1.005 1.00 0.00 N ATOM 417 CA VAL A 26 -1.865 -9.597 2.251 1.00 0.00 C ATOM 418 C VAL A 26 -2.688 -10.672 2.951 1.00 0.00 C ATOM 419 O VAL A 26 -2.127 -11.666 3.409 1.00 0.00 O ATOM 420 CB VAL A 26 -1.679 -8.365 3.166 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.887 -8.739 4.430 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.957 -7.152 2.569 1.00 0.00 C ATOM 0 H VAL A 26 -2.795 -8.254 0.939 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.870 -9.981 2.028 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.711 -8.069 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.768 -7.857 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.426 -9.509 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.095 -9.117 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.895 -6.361 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.048 -7.441 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.510 -6.790 1.702 1.00 0.00 H new ATOM 432 N ALA A 27 -4.014 -10.511 3.020 1.00 0.00 N ATOM 433 CA ALA A 27 -4.872 -11.443 3.726 1.00 0.00 C ATOM 434 C ALA A 27 -4.865 -12.838 3.098 1.00 0.00 C ATOM 435 O ALA A 27 -5.213 -13.800 3.787 1.00 0.00 O ATOM 436 CB ALA A 27 -6.303 -10.927 3.761 1.00 0.00 C ATOM 0 H ALA A 27 -4.511 -9.733 2.588 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.474 -11.524 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.933 -11.638 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.330 -9.964 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.672 -10.808 2.742 1.00 0.00 H new ATOM 442 N ASN A 28 -4.527 -12.975 1.810 1.00 0.00 N ATOM 443 CA ASN A 28 -4.287 -14.309 1.243 1.00 0.00 C ATOM 444 C ASN A 28 -3.168 -15.066 1.974 1.00 0.00 C ATOM 445 O ASN A 28 -3.297 -16.283 2.096 1.00 0.00 O ATOM 446 CB ASN A 28 -3.991 -14.317 -0.267 1.00 0.00 C ATOM 447 CG ASN A 28 -5.251 -14.321 -1.115 1.00 0.00 C ATOM 448 OD1 ASN A 28 -5.760 -15.374 -1.492 1.00 0.00 O ATOM 449 ND2 ASN A 28 -5.807 -13.162 -1.417 1.00 0.00 N ATOM 0 H ASN A 28 -4.415 -12.201 1.155 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.237 -14.823 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.392 -13.442 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.392 -15.195 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.666 -13.136 -1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.378 -12.293 -1.100 1.00 0.00 H new ATOM 456 N GLU A 29 -2.097 -14.428 2.465 1.00 0.00 N ATOM 457 CA GLU A 29 -1.007 -15.156 3.145 1.00 0.00 C ATOM 458 C GLU A 29 -1.027 -14.938 4.655 1.00 0.00 C ATOM 459 O GLU A 29 -0.768 -15.869 5.423 1.00 0.00 O ATOM 460 CB GLU A 29 0.363 -14.746 2.589 1.00 0.00 C ATOM 461 CG GLU A 29 0.554 -15.164 1.128 1.00 0.00 C ATOM 462 CD GLU A 29 0.557 -16.681 0.917 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.383 -17.397 1.536 1.00 0.00 O ATOM 464 OE2 GLU A 29 -0.204 -17.195 0.061 1.00 0.00 O ATOM 0 H GLU A 29 -1.959 -13.419 2.407 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.173 -16.215 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.476 -13.665 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.148 -15.196 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.241 -14.724 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.495 -14.753 0.762 1.00 0.00 H new ATOM 471 N MET A 30 -1.345 -13.721 5.084 1.00 0.00 N ATOM 472 CA MET A 30 -1.406 -13.253 6.455 1.00 0.00 C ATOM 473 C MET A 30 -2.834 -12.755 6.696 1.00 0.00 C ATOM 474 O MET A 30 -3.065 -11.547 6.720 1.00 0.00 O ATOM 475 CB MET A 30 -0.354 -12.152 6.669 1.00 0.00 C ATOM 476 CG MET A 30 1.044 -12.747 6.857 1.00 0.00 C ATOM 477 SD MET A 30 2.346 -11.539 7.214 1.00 0.00 S ATOM 478 CE MET A 30 2.453 -10.716 5.603 1.00 0.00 C ATOM 0 H MET A 30 -1.585 -12.981 4.425 1.00 0.00 H new ATOM 0 HA MET A 30 -1.179 -14.044 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.352 -11.477 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.619 -11.558 7.543 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.008 -13.472 7.670 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.314 -13.295 5.954 1.00 0.00 H new ATOM 0 HE1 MET A 30 3.474 -10.373 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.173 -11.417 4.817 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.776 -9.862 5.585 1.00 0.00 H new ATOM 488 N PRO A 31 -3.812 -13.652 6.914 1.00 0.00 N ATOM 489 CA PRO A 31 -5.238 -13.326 7.048 1.00 0.00 C ATOM 490 C PRO A 31 -5.578 -12.531 8.320 1.00 0.00 C ATOM 491 O PRO A 31 -6.749 -12.402 8.683 1.00 0.00 O ATOM 492 CB PRO A 31 -5.942 -14.691 7.031 1.00 0.00 C ATOM 493 CG PRO A 31 -4.901 -15.629 7.631 1.00 0.00 C ATOM 494 CD PRO A 31 -3.612 -15.088 7.038 1.00 0.00 C ATOM 0 HA PRO A 31 -5.562 -12.666 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.859 -14.678 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.217 -14.989 6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.897 -15.591 8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.076 -16.667 7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.761 -15.311 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.406 -15.541 6.068 1.00 0.00 H new ATOM 502 N ASP A 32 -4.583 -12.017 9.034 1.00 0.00 N ATOM 503 CA ASP A 32 -4.658 -11.627 10.434 1.00 0.00 C ATOM 504 C ASP A 32 -3.656 -10.505 10.670 1.00 0.00 C ATOM 505 O ASP A 32 -4.044 -9.384 10.999 1.00 0.00 O ATOM 506 CB ASP A 32 -4.342 -12.864 11.283 1.00 0.00 C ATOM 507 CG ASP A 32 -4.299 -12.556 12.774 1.00 0.00 C ATOM 508 OD1 ASP A 32 -5.356 -12.655 13.435 1.00 0.00 O ATOM 509 OD2 ASP A 32 -3.203 -12.298 13.314 1.00 0.00 O ATOM 0 H ASP A 32 -3.660 -11.854 8.632 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.648 -11.262 10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.094 -13.630 11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.382 -13.277 10.973 1.00 0.00 H new ATOM 514 N ALA A 33 -2.380 -10.786 10.406 1.00 0.00 N ATOM 515 CA ALA A 33 -1.221 -9.912 10.532 1.00 0.00 C ATOM 516 C ALA A 33 -1.134 -8.860 9.412 1.00 0.00 C ATOM 517 O ALA A 33 -0.086 -8.714 8.785 1.00 0.00 O ATOM 518 CB ALA A 33 0.012 -10.821 10.552 1.00 0.00 C ATOM 0 H ALA A 33 -2.111 -11.711 10.070 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.297 -9.328 11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.911 -10.212 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.053 -11.504 11.399 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.057 -11.394 9.626 1.00 0.00 H new ATOM 524 N VAL A 34 -2.218 -8.130 9.165 1.00 0.00 N ATOM 525 CA VAL A 34 -2.403 -7.305 7.982 1.00 0.00 C ATOM 526 C VAL A 34 -2.800 -5.875 8.400 1.00 0.00 C ATOM 527 O VAL A 34 -3.985 -5.589 8.571 1.00 0.00 O ATOM 528 CB VAL A 34 -3.378 -8.050 7.023 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.687 -8.553 7.652 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.727 -7.180 5.819 1.00 0.00 C ATOM 0 H VAL A 34 -3.013 -8.097 9.803 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.485 -7.161 7.413 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.818 -8.939 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.286 -9.055 6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.459 -9.253 8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.245 -7.708 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.409 -7.722 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.205 -6.261 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.817 -6.934 5.272 1.00 0.00 H new ATOM 540 N GLU A 35 -1.835 -4.957 8.564 1.00 0.00 N ATOM 541 CA GLU A 35 -2.113 -3.543 8.848 1.00 0.00 C ATOM 542 C GLU A 35 -1.942 -2.714 7.577 1.00 0.00 C ATOM 543 O GLU A 35 -0.981 -1.954 7.439 1.00 0.00 O ATOM 544 CB GLU A 35 -1.249 -3.011 10.010 1.00 0.00 C ATOM 545 CG GLU A 35 -1.835 -3.373 11.374 1.00 0.00 C ATOM 546 CD GLU A 35 -3.124 -2.602 11.673 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.058 -1.501 12.265 1.00 0.00 O ATOM 548 OE2 GLU A 35 -4.216 -3.118 11.352 1.00 0.00 O ATOM 0 H GLU A 35 -0.840 -5.175 8.503 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.149 -3.453 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.242 -3.419 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.161 -1.928 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.038 -4.443 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.100 -3.163 12.151 1.00 0.00 H new ATOM 555 N VAL A 36 -2.892 -2.850 6.650 1.00 0.00 N ATOM 556 CA VAL A 36 -3.069 -1.923 5.539 1.00 0.00 C ATOM 557 C VAL A 36 -3.761 -0.682 6.079 1.00 0.00 C ATOM 558 O VAL A 36 -4.934 -0.739 6.452 1.00 0.00 O ATOM 559 CB VAL A 36 -3.858 -2.571 4.380 1.00 0.00 C ATOM 560 CG1 VAL A 36 -3.973 -1.626 3.174 1.00 0.00 C ATOM 561 CG2 VAL A 36 -3.196 -3.874 3.912 1.00 0.00 C ATOM 0 H VAL A 36 -3.565 -3.616 6.653 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.101 -1.649 5.119 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.853 -2.784 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.534 -2.117 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.490 -0.715 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.976 -1.375 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.776 -4.304 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.184 -3.664 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.157 -4.581 4.741 1.00 0.00 H new ATOM 571 N GLU A 37 -3.050 0.441 6.118 1.00 0.00 N ATOM 572 CA GLU A 37 -3.687 1.733 6.244 1.00 0.00 C ATOM 573 C GLU A 37 -4.097 2.179 4.838 1.00 0.00 C ATOM 574 O GLU A 37 -3.235 2.350 3.974 1.00 0.00 O ATOM 575 CB GLU A 37 -2.720 2.712 6.919 1.00 0.00 C ATOM 576 CG GLU A 37 -3.400 4.056 7.187 1.00 0.00 C ATOM 577 CD GLU A 37 -4.349 4.038 8.385 1.00 0.00 C ATOM 578 OE1 GLU A 37 -5.458 3.454 8.290 1.00 0.00 O ATOM 579 OE2 GLU A 37 -3.991 4.662 9.408 1.00 0.00 O ATOM 0 H GLU A 37 -2.032 0.475 6.064 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.578 1.692 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.363 2.287 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.847 2.862 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.634 4.814 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.957 4.355 6.299 1.00 0.00 H new ATOM 586 N TYR A 38 -5.394 2.359 4.587 1.00 0.00 N ATOM 587 CA TYR A 38 -5.863 3.151 3.462 1.00 0.00 C ATOM 588 C TYR A 38 -5.890 4.605 3.911 1.00 0.00 C ATOM 589 O TYR A 38 -6.567 4.932 4.887 1.00 0.00 O ATOM 590 CB TYR A 38 -7.266 2.716 3.019 1.00 0.00 C ATOM 591 CG TYR A 38 -7.790 3.401 1.758 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.980 3.607 0.619 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.127 3.834 1.722 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.490 4.251 -0.523 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.645 4.483 0.589 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.824 4.711 -0.535 1.00 0.00 C ATOM 597 OH TYR A 38 -9.307 5.388 -1.613 1.00 0.00 O ATOM 0 H TYR A 38 -6.141 1.961 5.157 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.197 3.012 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.260 1.639 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.963 2.908 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.955 3.265 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.765 3.665 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.861 4.393 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.675 4.808 0.579 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.243 5.630 -1.455 1.00 0.00 H new ATOM 607 N ILE A 39 -5.187 5.477 3.197 1.00 0.00 N ATOM 608 CA ILE A 39 -5.274 6.919 3.400 1.00 0.00 C ATOM 609 C ILE A 39 -5.511 7.550 2.038 1.00 0.00 C ATOM 610 O ILE A 39 -4.581 7.743 1.252 1.00 0.00 O ATOM 611 CB ILE A 39 -4.061 7.513 4.154 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.684 6.969 3.721 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.259 7.432 5.672 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.196 5.648 4.320 1.00 0.00 C ATOM 0 H ILE A 39 -4.539 5.203 2.459 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.107 7.148 4.064 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.034 8.562 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.699 6.855 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.940 7.731 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.391 7.857 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.151 7.992 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.376 6.390 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.214 5.405 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.127 5.743 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.899 4.853 4.069 1.00 0.00 H new ATOM 626 N ASN A 40 -6.774 7.822 1.714 1.00 0.00 N ATOM 627 CA ASN A 40 -7.091 8.607 0.529 1.00 0.00 C ATOM 628 C ASN A 40 -6.431 9.990 0.655 1.00 0.00 C ATOM 629 O ASN A 40 -6.096 10.407 1.763 1.00 0.00 O ATOM 630 CB ASN A 40 -8.611 8.644 0.294 1.00 0.00 C ATOM 631 CG ASN A 40 -9.288 9.963 0.647 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.753 10.663 -0.251 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.408 10.271 1.925 1.00 0.00 N ATOM 0 H ASN A 40 -7.584 7.513 2.251 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.679 8.143 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.806 8.423 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.073 7.849 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.903 11.119 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.006 9.661 2.637 1.00 0.00 H new ATOM 640 N VAL A 41 -6.171 10.641 -0.479 1.00 0.00 N ATOM 641 CA VAL A 41 -5.456 11.914 -0.577 1.00 0.00 C ATOM 642 C VAL A 41 -5.990 12.980 0.402 1.00 0.00 C ATOM 643 O VAL A 41 -7.186 13.011 0.683 1.00 0.00 O ATOM 644 CB VAL A 41 -5.509 12.365 -2.056 1.00 0.00 C ATOM 645 CG1 VAL A 41 -6.887 12.896 -2.486 1.00 0.00 C ATOM 646 CG2 VAL A 41 -4.425 13.398 -2.388 1.00 0.00 C ATOM 0 H VAL A 41 -6.463 10.283 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.418 11.780 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.316 11.458 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.851 13.194 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.635 12.114 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.153 13.757 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.503 13.683 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.559 14.280 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.442 12.966 -2.202 1.00 0.00 H new ATOM 656 N MET A 42 -5.106 13.896 0.831 1.00 0.00 N ATOM 657 CA MET A 42 -5.323 14.939 1.840 1.00 0.00 C ATOM 658 C MET A 42 -5.835 14.348 3.157 1.00 0.00 C ATOM 659 O MET A 42 -5.768 13.136 3.345 1.00 0.00 O ATOM 660 CB MET A 42 -6.111 16.151 1.298 1.00 0.00 C ATOM 661 CG MET A 42 -7.612 15.929 1.079 1.00 0.00 C ATOM 662 SD MET A 42 -8.564 17.454 0.863 1.00 0.00 S ATOM 663 CE MET A 42 -10.227 16.735 0.814 1.00 0.00 C ATOM 0 H MET A 42 -4.158 13.927 0.455 1.00 0.00 H new ATOM 0 HA MET A 42 -4.354 15.372 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.984 16.982 1.991 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.666 16.455 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.750 15.300 0.200 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.015 15.380 1.930 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.963 17.529 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.297 16.036 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.423 16.207 1.747 1.00 0.00 H new ATOM 673 N GLU A 43 -6.218 15.184 4.133 1.00 0.00 N ATOM 674 CA GLU A 43 -6.647 14.817 5.496 1.00 0.00 C ATOM 675 C GLU A 43 -5.544 14.140 6.342 1.00 0.00 C ATOM 676 O GLU A 43 -5.613 14.115 7.573 1.00 0.00 O ATOM 677 CB GLU A 43 -7.947 13.992 5.388 1.00 0.00 C ATOM 678 CG GLU A 43 -8.591 13.594 6.719 1.00 0.00 C ATOM 679 CD GLU A 43 -9.974 13.001 6.464 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.080 11.889 5.898 1.00 0.00 O ATOM 681 OE2 GLU A 43 -10.987 13.680 6.756 1.00 0.00 O ATOM 0 H GLU A 43 -6.239 16.193 3.987 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.851 15.728 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.673 14.565 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.734 13.085 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.963 12.868 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.672 14.465 7.370 1.00 0.00 H new ATOM 688 N ASN A 44 -4.495 13.635 5.698 1.00 0.00 N ATOM 689 CA ASN A 44 -3.366 12.922 6.261 1.00 0.00 C ATOM 690 C ASN A 44 -2.493 13.853 7.105 1.00 0.00 C ATOM 691 O ASN A 44 -2.338 15.020 6.739 1.00 0.00 O ATOM 692 CB ASN A 44 -2.521 12.345 5.106 1.00 0.00 C ATOM 693 CG ASN A 44 -1.910 13.427 4.208 1.00 0.00 C ATOM 694 OD1 ASN A 44 -2.529 13.852 3.243 1.00 0.00 O ATOM 695 ND2 ASN A 44 -0.695 13.878 4.465 1.00 0.00 N ATOM 0 H ASN A 44 -4.412 13.725 4.685 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.738 12.124 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.721 11.731 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.145 11.688 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.273 14.581 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.179 13.523 5.270 1.00 0.00 H new ATOM 702 N PRO A 45 -1.826 13.329 8.146 1.00 0.00 N ATOM 703 CA PRO A 45 -0.677 13.983 8.749 1.00 0.00 C ATOM 704 C PRO A 45 0.543 13.785 7.836 1.00 0.00 C ATOM 705 O PRO A 45 0.493 13.016 6.862 1.00 0.00 O ATOM 706 CB PRO A 45 -0.519 13.302 10.110 1.00 0.00 C ATOM 707 CG PRO A 45 -0.982 11.872 9.839 1.00 0.00 C ATOM 708 CD PRO A 45 -2.055 12.031 8.764 1.00 0.00 C ATOM 0 HA PRO A 45 -0.789 15.060 8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.513 13.332 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.127 13.784 10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.160 11.245 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.383 11.405 10.738 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.987 11.232 8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.053 11.979 9.200 1.00 0.00 H new ATOM 716 N GLN A 46 1.674 14.410 8.162 1.00 0.00 N ATOM 717 CA GLN A 46 2.890 14.367 7.347 1.00 0.00 C ATOM 718 C GLN A 46 3.559 12.985 7.320 1.00 0.00 C ATOM 719 O GLN A 46 4.551 12.818 6.617 1.00 0.00 O ATOM 720 CB GLN A 46 3.879 15.444 7.821 1.00 0.00 C ATOM 721 CG GLN A 46 3.391 16.877 7.551 1.00 0.00 C ATOM 722 CD GLN A 46 3.621 17.278 6.095 1.00 0.00 C ATOM 723 OE1 GLN A 46 2.957 16.777 5.192 1.00 0.00 O ATOM 724 NE2 GLN A 46 4.570 18.156 5.822 1.00 0.00 N ATOM 0 H GLN A 46 1.774 14.968 9.010 1.00 0.00 H new ATOM 0 HA GLN A 46 2.589 14.573 6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.054 15.322 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.836 15.293 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.330 16.952 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.914 17.571 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.117 18.567 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.756 18.422 4.855 1.00 0.00 H new ATOM 733 N LYS A 47 3.011 11.966 7.998 1.00 0.00 N ATOM 734 CA LYS A 47 3.601 10.631 8.138 1.00 0.00 C ATOM 735 C LYS A 47 4.097 10.008 6.831 1.00 0.00 C ATOM 736 O LYS A 47 4.987 9.170 6.878 1.00 0.00 O ATOM 737 CB LYS A 47 2.640 9.684 8.898 1.00 0.00 C ATOM 738 CG LYS A 47 1.740 8.762 8.044 1.00 0.00 C ATOM 739 CD LYS A 47 0.714 9.479 7.143 1.00 0.00 C ATOM 740 CE LYS A 47 0.488 8.651 5.871 1.00 0.00 C ATOM 741 NZ LYS A 47 -0.228 9.374 4.801 1.00 0.00 N ATOM 0 H LYS A 47 2.116 12.054 8.479 1.00 0.00 H new ATOM 0 HA LYS A 47 4.505 10.771 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.237 9.056 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.996 10.293 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.379 8.143 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.202 8.089 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.227 9.610 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.074 10.474 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.454 8.321 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.076 7.754 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.151 8.842 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.230 9.473 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.192 10.317 4.678 1.00 0.00 H new ATOM 755 N ALA A 48 3.477 10.340 5.694 1.00 0.00 N ATOM 756 CA ALA A 48 3.968 9.953 4.383 1.00 0.00 C ATOM 757 C ALA A 48 4.889 10.999 3.781 1.00 0.00 C ATOM 758 O ALA A 48 5.965 10.689 3.296 1.00 0.00 O ATOM 759 CB ALA A 48 2.816 9.706 3.426 1.00 0.00 C ATOM 0 H ALA A 48 2.617 10.887 5.665 1.00 0.00 H new ATOM 0 HA ALA A 48 4.536 9.034 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.208 9.418 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.185 8.906 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.226 10.617 3.325 1.00 0.00 H new ATOM 765 N MET A 49 4.418 12.240 3.720 1.00 0.00 N ATOM 766 CA MET A 49 5.101 13.313 3.006 1.00 0.00 C ATOM 767 C MET A 49 6.442 13.697 3.650 1.00 0.00 C ATOM 768 O MET A 49 7.202 14.451 3.048 1.00 0.00 O ATOM 769 CB MET A 49 4.137 14.499 2.863 1.00 0.00 C ATOM 770 CG MET A 49 2.940 14.060 2.002 1.00 0.00 C ATOM 771 SD MET A 49 1.664 15.293 1.683 1.00 0.00 S ATOM 772 CE MET A 49 2.558 16.384 0.553 1.00 0.00 C ATOM 0 H MET A 49 3.548 12.531 4.166 1.00 0.00 H new ATOM 0 HA MET A 49 5.374 12.963 2.010 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.796 14.829 3.844 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.645 15.345 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.323 13.713 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.470 13.204 2.487 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.894 17.178 0.212 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.412 16.822 1.070 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.908 15.811 -0.305 1.00 0.00 H new ATOM 782 N GLU A 50 6.770 13.159 4.828 1.00 0.00 N ATOM 783 CA GLU A 50 8.095 13.202 5.436 1.00 0.00 C ATOM 784 C GLU A 50 9.098 12.241 4.780 1.00 0.00 C ATOM 785 O GLU A 50 10.307 12.454 4.919 1.00 0.00 O ATOM 786 CB GLU A 50 7.971 12.875 6.933 1.00 0.00 C ATOM 787 CG GLU A 50 7.638 11.396 7.228 1.00 0.00 C ATOM 788 CD GLU A 50 7.369 11.132 8.716 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.027 12.069 9.475 1.00 0.00 O ATOM 790 OE2 GLU A 50 7.498 9.979 9.189 1.00 0.00 O ATOM 0 H GLU A 50 6.090 12.663 5.404 1.00 0.00 H new ATOM 0 HA GLU A 50 8.485 14.209 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.907 13.132 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.196 13.505 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.763 11.103 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.466 10.769 6.896 1.00 0.00 H new ATOM 797 N TYR A 51 8.634 11.181 4.107 1.00 0.00 N ATOM 798 CA TYR A 51 9.490 10.174 3.490 1.00 0.00 C ATOM 799 C TYR A 51 10.301 10.824 2.365 1.00 0.00 C ATOM 800 O TYR A 51 9.855 11.795 1.745 1.00 0.00 O ATOM 801 CB TYR A 51 8.648 9.030 2.889 1.00 0.00 C ATOM 802 CG TYR A 51 7.712 8.220 3.781 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.073 7.848 5.090 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.495 7.746 3.244 1.00 0.00 C ATOM 805 CE1 TYR A 51 7.222 7.024 5.851 1.00 0.00 C ATOM 806 CE2 TYR A 51 5.645 6.910 3.991 1.00 0.00 C ATOM 807 CZ TYR A 51 6.001 6.556 5.309 1.00 0.00 C ATOM 808 OH TYR A 51 5.184 5.762 6.059 1.00 0.00 O ATOM 0 H TYR A 51 7.638 11.001 3.977 1.00 0.00 H new ATOM 0 HA TYR A 51 10.149 9.766 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.043 9.458 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.340 8.328 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.005 8.195 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.212 8.030 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.503 6.747 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.726 6.542 3.558 1.00 0.00 H new ATOM 0 HH TYR A 51 4.379 5.543 5.545 1.00 0.00 H new ATOM 818 N GLY A 52 11.462 10.258 2.036 1.00 0.00 N ATOM 819 CA GLY A 52 12.309 10.773 0.964 1.00 0.00 C ATOM 820 C GLY A 52 11.710 10.533 -0.422 1.00 0.00 C ATOM 821 O GLY A 52 12.100 11.195 -1.380 1.00 0.00 O ATOM 0 H GLY A 52 11.839 9.434 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.464 11.842 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.289 10.299 1.020 1.00 0.00 H new ATOM 825 N ILE A 53 10.751 9.612 -0.542 1.00 0.00 N ATOM 826 CA ILE A 53 10.140 9.227 -1.802 1.00 0.00 C ATOM 827 C ILE A 53 8.696 9.731 -1.824 1.00 0.00 C ATOM 828 O ILE A 53 7.730 8.976 -1.731 1.00 0.00 O ATOM 829 CB ILE A 53 10.378 7.725 -2.084 1.00 0.00 C ATOM 830 CG1 ILE A 53 9.779 7.359 -3.457 1.00 0.00 C ATOM 831 CG2 ILE A 53 9.892 6.786 -0.961 1.00 0.00 C ATOM 832 CD1 ILE A 53 10.406 6.101 -4.062 1.00 0.00 C ATOM 0 H ILE A 53 10.373 9.105 0.258 1.00 0.00 H new ATOM 0 HA ILE A 53 10.612 9.708 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 53 11.456 7.568 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.705 7.209 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.918 8.194 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.096 5.752 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.416 7.024 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.820 6.918 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.945 5.893 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.476 6.257 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.244 5.256 -3.393 1.00 0.00 H new ATOM 844 N MET A 54 8.543 11.044 -1.992 1.00 0.00 N ATOM 845 CA MET A 54 7.248 11.697 -2.190 1.00 0.00 C ATOM 846 C MET A 54 6.676 11.444 -3.602 1.00 0.00 C ATOM 847 O MET A 54 5.919 12.274 -4.097 1.00 0.00 O ATOM 848 CB MET A 54 7.379 13.211 -1.922 1.00 0.00 C ATOM 849 CG MET A 54 7.791 13.562 -0.489 1.00 0.00 C ATOM 850 SD MET A 54 7.956 15.347 -0.185 1.00 0.00 S ATOM 851 CE MET A 54 6.239 15.908 -0.356 1.00 0.00 C ATOM 0 H MET A 54 9.328 11.695 -1.994 1.00 0.00 H new ATOM 0 HA MET A 54 6.545 11.262 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.113 13.628 -2.612 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.426 13.691 -2.142 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.053 13.153 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.741 13.076 -0.265 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.156 16.937 -0.007 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.941 15.855 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.587 15.269 0.239 1.00 0.00 H new ATOM 861 N ALA A 55 7.062 10.349 -4.272 1.00 0.00 N ATOM 862 CA ALA A 55 6.873 10.130 -5.706 1.00 0.00 C ATOM 863 C ALA A 55 5.420 10.293 -6.155 1.00 0.00 C ATOM 864 O ALA A 55 5.181 10.959 -7.159 1.00 0.00 O ATOM 865 CB ALA A 55 7.394 8.738 -6.090 1.00 0.00 C ATOM 0 H ALA A 55 7.529 9.568 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 55 7.444 10.901 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.252 8.578 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.455 8.668 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.846 7.978 -5.533 1.00 0.00 H new ATOM 871 N VAL A 56 4.484 9.699 -5.402 1.00 0.00 N ATOM 872 CA VAL A 56 3.096 9.437 -5.790 1.00 0.00 C ATOM 873 C VAL A 56 3.076 8.380 -6.919 1.00 0.00 C ATOM 874 O VAL A 56 3.816 8.519 -7.891 1.00 0.00 O ATOM 875 CB VAL A 56 2.339 10.739 -6.171 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.822 10.496 -6.224 1.00 0.00 C ATOM 877 CG2 VAL A 56 2.585 11.901 -5.189 1.00 0.00 C ATOM 0 H VAL A 56 4.688 9.372 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 56 2.556 9.034 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 56 2.731 11.018 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.314 11.422 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.602 9.732 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.473 10.161 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.026 12.778 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.254 11.611 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.649 12.137 -5.164 1.00 0.00 H new ATOM 887 N PRO A 57 2.227 7.333 -6.874 1.00 0.00 N ATOM 888 CA PRO A 57 1.377 6.890 -5.772 1.00 0.00 C ATOM 889 C PRO A 57 2.214 6.394 -4.591 1.00 0.00 C ATOM 890 O PRO A 57 3.021 5.486 -4.746 1.00 0.00 O ATOM 891 CB PRO A 57 0.488 5.781 -6.359 1.00 0.00 C ATOM 892 CG PRO A 57 1.198 5.295 -7.612 1.00 0.00 C ATOM 893 CD PRO A 57 2.079 6.460 -8.027 1.00 0.00 C ATOM 0 HA PRO A 57 0.773 7.704 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.356 4.968 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.505 6.162 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.790 4.402 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.486 5.037 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.052 6.103 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.631 7.000 -8.861 1.00 0.00 H new ATOM 901 N THR A 58 2.063 6.993 -3.410 1.00 0.00 N ATOM 902 CA THR A 58 2.960 6.736 -2.293 1.00 0.00 C ATOM 903 C THR A 58 2.464 5.464 -1.600 1.00 0.00 C ATOM 904 O THR A 58 1.418 5.508 -0.948 1.00 0.00 O ATOM 905 CB THR A 58 2.933 7.987 -1.400 1.00 0.00 C ATOM 906 OG1 THR A 58 3.348 9.128 -2.133 1.00 0.00 O ATOM 907 CG2 THR A 58 3.755 7.912 -0.113 1.00 0.00 C ATOM 0 H THR A 58 1.322 7.663 -3.205 1.00 0.00 H new ATOM 0 HA THR A 58 3.997 6.563 -2.581 1.00 0.00 H new ATOM 0 HB THR A 58 1.892 8.059 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.324 9.917 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.660 8.850 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.389 7.092 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.803 7.740 -0.360 1.00 0.00 H new ATOM 915 N ILE A 59 3.139 4.317 -1.750 1.00 0.00 N ATOM 916 CA ILE A 59 2.683 3.076 -1.130 1.00 0.00 C ATOM 917 C ILE A 59 3.760 2.640 -0.136 1.00 0.00 C ATOM 918 O ILE A 59 4.932 2.983 -0.276 1.00 0.00 O ATOM 919 CB ILE A 59 2.383 2.010 -2.216 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.641 2.520 -3.474 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.585 0.834 -1.608 1.00 0.00 C ATOM 922 CD1 ILE A 59 0.221 3.047 -3.248 1.00 0.00 C ATOM 0 H ILE A 59 3.998 4.227 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 59 1.746 3.215 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 59 3.368 1.695 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.235 3.315 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.595 1.707 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.382 0.094 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.167 0.374 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.643 1.204 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.200 3.377 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.400 2.253 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.251 3.886 -2.553 1.00 0.00 H new ATOM 934 N VAL A 60 3.421 1.799 0.831 1.00 0.00 N ATOM 935 CA VAL A 60 4.361 1.143 1.729 1.00 0.00 C ATOM 936 C VAL A 60 3.913 -0.319 1.750 1.00 0.00 C ATOM 937 O VAL A 60 2.715 -0.551 1.883 1.00 0.00 O ATOM 938 CB VAL A 60 4.370 1.849 3.106 1.00 0.00 C ATOM 939 CG1 VAL A 60 5.531 1.360 3.979 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.506 3.380 2.981 1.00 0.00 C ATOM 0 H VAL A 60 2.451 1.546 1.018 1.00 0.00 H new ATOM 0 HA VAL A 60 5.402 1.198 1.409 1.00 0.00 H new ATOM 0 HB VAL A 60 3.412 1.601 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.507 1.876 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.436 0.286 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.476 1.569 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.507 3.828 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.439 3.622 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.668 3.774 2.407 1.00 0.00 H new ATOM 950 N ILE A 61 4.809 -1.286 1.516 1.00 0.00 N ATOM 951 CA ILE A 61 4.512 -2.723 1.710 1.00 0.00 C ATOM 952 C ILE A 61 5.532 -3.310 2.675 1.00 0.00 C ATOM 953 O ILE A 61 6.634 -2.778 2.700 1.00 0.00 O ATOM 954 CB ILE A 61 4.516 -3.509 0.379 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.846 -3.404 -0.420 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.287 -3.116 -0.461 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.839 -4.537 -0.145 1.00 0.00 C ATOM 0 H ILE A 61 5.757 -1.103 1.188 1.00 0.00 H new ATOM 0 HA ILE A 61 3.507 -2.811 2.122 1.00 0.00 H new ATOM 0 HB ILE A 61 4.447 -4.567 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.616 -3.389 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.324 -2.453 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.294 -3.672 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.378 -3.350 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.318 -2.047 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.738 -4.386 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.103 -4.541 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.384 -5.492 -0.409 1.00 0.00 H new ATOM 969 N ASN A 62 5.222 -4.413 3.375 1.00 0.00 N ATOM 970 CA ASN A 62 5.952 -4.992 4.521 1.00 0.00 C ATOM 971 C ASN A 62 6.390 -3.974 5.586 1.00 0.00 C ATOM 972 O ASN A 62 5.926 -4.032 6.729 1.00 0.00 O ATOM 973 CB ASN A 62 7.146 -5.842 4.056 1.00 0.00 C ATOM 974 CG ASN A 62 6.827 -7.307 3.846 1.00 0.00 C ATOM 975 OD1 ASN A 62 5.685 -7.680 3.615 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.845 -8.144 3.933 1.00 0.00 N ATOM 0 H ASN A 62 4.397 -4.965 3.141 1.00 0.00 H new ATOM 0 HA ASN A 62 5.224 -5.635 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.529 -5.429 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.945 -5.759 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.695 -9.145 3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.781 -7.790 4.127 1.00 0.00 H new ATOM 983 N GLY A 63 7.318 -3.084 5.244 1.00 0.00 N ATOM 984 CA GLY A 63 7.582 -1.821 5.913 1.00 0.00 C ATOM 985 C GLY A 63 8.161 -0.749 4.973 1.00 0.00 C ATOM 986 O GLY A 63 8.260 0.404 5.391 1.00 0.00 O ATOM 0 H GLY A 63 7.938 -3.237 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.656 -1.449 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.279 -1.990 6.734 1.00 0.00 H new ATOM 990 N ASP A 64 8.551 -1.074 3.736 1.00 0.00 N ATOM 991 CA ASP A 64 9.291 -0.203 2.821 1.00 0.00 C ATOM 992 C ASP A 64 8.356 0.623 1.937 1.00 0.00 C ATOM 993 O ASP A 64 7.468 0.108 1.235 1.00 0.00 O ATOM 994 CB ASP A 64 10.274 -1.003 1.953 1.00 0.00 C ATOM 995 CG ASP A 64 11.504 -1.427 2.764 1.00 0.00 C ATOM 996 OD1 ASP A 64 12.245 -0.532 3.230 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.692 -2.647 2.999 1.00 0.00 O ATOM 0 H ASP A 64 8.351 -1.988 3.330 1.00 0.00 H new ATOM 0 HA ASP A 64 9.863 0.487 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.776 -1.886 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.586 -0.400 1.101 1.00 0.00 H new ATOM 1002 N VAL A 65 8.560 1.937 1.983 1.00 0.00 N ATOM 1003 CA VAL A 65 7.892 2.923 1.150 1.00 0.00 C ATOM 1004 C VAL A 65 8.453 2.786 -0.273 1.00 0.00 C ATOM 1005 O VAL A 65 9.650 2.564 -0.427 1.00 0.00 O ATOM 1006 CB VAL A 65 8.145 4.332 1.728 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.273 5.401 1.054 1.00 0.00 C ATOM 1008 CG2 VAL A 65 8.060 4.446 3.262 1.00 0.00 C ATOM 0 H VAL A 65 9.225 2.358 2.632 1.00 0.00 H new ATOM 0 HA VAL A 65 6.814 2.765 1.127 1.00 0.00 H new ATOM 0 HB VAL A 65 9.191 4.521 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.486 6.375 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.492 5.429 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.221 5.159 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.254 5.476 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.064 4.153 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.802 3.790 3.717 1.00 0.00 H new ATOM 1018 N GLU A 66 7.594 2.900 -1.293 1.00 0.00 N ATOM 1019 CA GLU A 66 7.898 2.756 -2.721 1.00 0.00 C ATOM 1020 C GLU A 66 6.596 3.007 -3.511 1.00 0.00 C ATOM 1021 O GLU A 66 5.501 2.925 -2.937 1.00 0.00 O ATOM 1022 CB GLU A 66 8.421 1.321 -3.019 1.00 0.00 C ATOM 1023 CG GLU A 66 9.066 1.060 -4.389 1.00 0.00 C ATOM 1024 CD GLU A 66 10.009 2.171 -4.856 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.471 3.248 -5.200 1.00 0.00 O ATOM 1026 OE2 GLU A 66 11.235 1.940 -4.845 1.00 0.00 O ATOM 0 H GLU A 66 6.608 3.108 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 66 8.669 3.469 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.152 1.065 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.585 0.630 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.620 0.122 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.278 0.931 -5.131 1.00 0.00 H new ATOM 1033 N PHE A 67 6.680 3.198 -4.823 1.00 0.00 N ATOM 1034 CA PHE A 67 5.571 3.154 -5.774 1.00 0.00 C ATOM 1035 C PHE A 67 5.958 2.159 -6.865 1.00 0.00 C ATOM 1036 O PHE A 67 7.142 1.976 -7.126 1.00 0.00 O ATOM 1037 CB PHE A 67 5.325 4.548 -6.369 1.00 0.00 C ATOM 1038 CG PHE A 67 6.261 4.986 -7.486 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.621 5.236 -7.224 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.774 5.135 -8.801 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.486 5.621 -8.261 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.635 5.536 -9.838 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.994 5.775 -9.569 1.00 0.00 C ATOM 0 H PHE A 67 7.571 3.399 -5.278 1.00 0.00 H new ATOM 0 HA PHE A 67 4.648 2.844 -5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.303 4.582 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.390 5.279 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.002 5.131 -6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.733 4.940 -9.013 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.531 5.799 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.253 5.660 -10.840 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.659 6.076 -10.365 1.00 0.00 H new ATOM 1053 N ILE A 68 4.995 1.515 -7.530 1.00 0.00 N ATOM 1054 CA ILE A 68 5.311 0.722 -8.710 1.00 0.00 C ATOM 1055 C ILE A 68 4.360 1.138 -9.832 1.00 0.00 C ATOM 1056 O ILE A 68 3.398 0.444 -10.158 1.00 0.00 O ATOM 1057 CB ILE A 68 5.401 -0.800 -8.422 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.339 -1.169 -7.237 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.866 -1.457 -9.739 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.835 -1.178 -7.565 1.00 0.00 C ATOM 0 H ILE A 68 4.008 1.529 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 68 6.325 0.935 -9.050 1.00 0.00 H new ATOM 0 HB ILE A 68 4.426 -1.167 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.166 -0.463 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.059 -2.155 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.949 -2.535 -9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.141 -1.248 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.837 -1.053 -10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.401 -1.447 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.031 -1.906 -8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.139 -0.187 -7.903 1.00 0.00 H new ATOM 1072 N GLY A 69 4.682 2.270 -10.459 1.00 0.00 N ATOM 1073 CA GLY A 69 3.995 2.728 -11.653 1.00 0.00 C ATOM 1074 C GLY A 69 2.747 3.540 -11.313 1.00 0.00 C ATOM 1075 O GLY A 69 2.581 4.014 -10.195 1.00 0.00 O ATOM 0 H GLY A 69 5.429 2.891 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.673 3.337 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.715 1.869 -12.263 1.00 0.00 H new ATOM 1079 N ALA A 70 1.886 3.725 -12.319 1.00 0.00 N ATOM 1080 CA ALA A 70 0.576 4.348 -12.171 1.00 0.00 C ATOM 1081 C ALA A 70 -0.462 3.569 -11.328 1.00 0.00 C ATOM 1082 O ALA A 70 -1.368 4.242 -10.827 1.00 0.00 O ATOM 1083 CB ALA A 70 0.002 4.635 -13.565 1.00 0.00 C ATOM 0 H ALA A 70 2.089 3.438 -13.277 1.00 0.00 H new ATOM 0 HA ALA A 70 0.755 5.260 -11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.978 5.101 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.671 5.307 -14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.095 3.701 -14.118 1.00 0.00 H new ATOM 1089 N PRO A 71 -0.443 2.222 -11.175 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.331 1.544 -10.225 1.00 0.00 C ATOM 1091 C PRO A 71 -0.837 1.781 -8.790 1.00 0.00 C ATOM 1092 O PRO A 71 -0.099 2.729 -8.536 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.337 0.074 -10.664 1.00 0.00 C ATOM 1094 CG PRO A 71 0.066 -0.123 -11.219 1.00 0.00 C ATOM 1095 CD PRO A 71 0.362 1.221 -11.875 1.00 0.00 C ATOM 0 HA PRO A 71 -2.353 1.922 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.538 -0.596 -9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.100 -0.119 -11.418 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.783 -0.356 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.105 -0.941 -11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.423 1.460 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.111 1.197 -12.935 1.00 0.00 H new ATOM 1103 N THR A 72 -1.269 0.996 -7.803 1.00 0.00 N ATOM 1104 CA THR A 72 -0.606 0.997 -6.510 1.00 0.00 C ATOM 1105 C THR A 72 0.679 0.156 -6.643 1.00 0.00 C ATOM 1106 O THR A 72 1.287 0.104 -7.712 1.00 0.00 O ATOM 1107 CB THR A 72 -1.625 0.579 -5.438 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.048 -0.757 -5.535 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.873 1.468 -5.438 1.00 0.00 C ATOM 0 H THR A 72 -2.064 0.361 -7.877 1.00 0.00 H new ATOM 0 HA THR A 72 -0.264 1.977 -6.176 1.00 0.00 H new ATOM 0 HB THR A 72 -1.074 0.699 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.468 -0.905 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.560 1.130 -4.662 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.584 2.501 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.363 1.407 -6.409 1.00 0.00 H new ATOM 1117 N LYS A 73 1.166 -0.500 -5.587 1.00 0.00 N ATOM 1118 CA LYS A 73 2.453 -1.211 -5.621 1.00 0.00 C ATOM 1119 C LYS A 73 2.307 -2.575 -6.319 1.00 0.00 C ATOM 1120 O LYS A 73 2.955 -3.541 -5.933 1.00 0.00 O ATOM 1121 CB LYS A 73 2.960 -1.319 -4.176 1.00 0.00 C ATOM 1122 CG LYS A 73 4.426 -1.754 -4.076 1.00 0.00 C ATOM 1123 CD LYS A 73 5.352 -0.698 -3.472 1.00 0.00 C ATOM 1124 CE LYS A 73 5.019 -0.500 -1.981 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.892 0.460 -1.276 1.00 0.00 N ATOM 0 H LYS A 73 0.686 -0.555 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 73 3.190 -0.666 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.841 -0.354 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.339 -2.032 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.484 -2.660 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.786 -2.010 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.391 -1.007 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.240 0.245 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.986 -0.162 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.082 -1.465 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.619 0.506 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.882 0.150 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.791 1.402 -1.706 1.00 0.00 H new ATOM 1139 N GLU A 74 1.448 -2.676 -7.328 1.00 0.00 N ATOM 1140 CA GLU A 74 0.862 -3.929 -7.783 1.00 0.00 C ATOM 1141 C GLU A 74 1.852 -4.980 -8.313 1.00 0.00 C ATOM 1142 O GLU A 74 1.594 -6.173 -8.155 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.381 -3.634 -8.648 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.504 -3.221 -7.668 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.735 -2.560 -8.290 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.434 -3.254 -9.058 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.022 -1.385 -7.934 1.00 0.00 O ATOM 0 H GLU A 74 1.133 -1.868 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 74 0.507 -4.473 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.177 -2.837 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.671 -4.513 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.829 -4.109 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.082 -2.536 -6.933 1.00 0.00 H new ATOM 1154 N ALA A 75 3.030 -4.590 -8.815 1.00 0.00 N ATOM 1155 CA ALA A 75 4.065 -5.579 -9.129 1.00 0.00 C ATOM 1156 C ALA A 75 4.591 -6.261 -7.860 1.00 0.00 C ATOM 1157 O ALA A 75 4.842 -7.462 -7.862 1.00 0.00 O ATOM 1158 CB ALA A 75 5.243 -4.934 -9.859 1.00 0.00 C ATOM 0 H ALA A 75 3.286 -3.622 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 75 3.599 -6.324 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.994 -5.692 -10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.894 -4.489 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.682 -4.160 -9.229 1.00 0.00 H new ATOM 1164 N LEU A 76 4.812 -5.482 -6.794 1.00 0.00 N ATOM 1165 CA LEU A 76 5.354 -6.006 -5.540 1.00 0.00 C ATOM 1166 C LEU A 76 4.273 -6.734 -4.742 1.00 0.00 C ATOM 1167 O LEU A 76 4.584 -7.741 -4.114 1.00 0.00 O ATOM 1168 CB LEU A 76 6.000 -4.881 -4.707 1.00 0.00 C ATOM 1169 CG LEU A 76 7.472 -5.115 -4.319 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.664 -6.355 -3.445 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.380 -5.183 -5.553 1.00 0.00 C ATOM 0 H LEU A 76 4.621 -4.480 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 76 6.133 -6.729 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.933 -3.950 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.418 -4.745 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 76 7.765 -4.251 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.721 -6.469 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.091 -6.244 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.318 -7.237 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.410 -5.349 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.060 -6.004 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.316 -4.245 -6.104 1.00 0.00 H new ATOM 1183 N VAL A 77 3.020 -6.269 -4.815 1.00 0.00 N ATOM 1184 CA VAL A 77 1.812 -6.981 -4.380 1.00 0.00 C ATOM 1185 C VAL A 77 1.875 -8.398 -4.963 1.00 0.00 C ATOM 1186 O VAL A 77 1.766 -9.372 -4.218 1.00 0.00 O ATOM 1187 CB VAL A 77 0.577 -6.186 -4.855 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.801 -6.856 -4.826 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.458 -4.814 -4.162 1.00 0.00 C ATOM 0 H VAL A 77 2.811 -5.346 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 77 1.742 -7.065 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 77 0.818 -6.101 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.553 -6.157 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.788 -7.742 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.043 -7.146 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.427 -4.295 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.372 -4.957 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.345 -4.219 -4.379 1.00 0.00 H new ATOM 1199 N GLU A 78 2.131 -8.531 -6.274 1.00 0.00 N ATOM 1200 CA GLU A 78 2.183 -9.836 -6.930 1.00 0.00 C ATOM 1201 C GLU A 78 3.300 -10.768 -6.400 1.00 0.00 C ATOM 1202 O GLU A 78 3.275 -11.968 -6.678 1.00 0.00 O ATOM 1203 CB GLU A 78 2.183 -9.660 -8.463 1.00 0.00 C ATOM 1204 CG GLU A 78 1.584 -10.848 -9.249 1.00 0.00 C ATOM 1205 CD GLU A 78 0.123 -11.198 -8.894 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -0.631 -10.358 -8.347 1.00 0.00 O ATOM 1207 OE2 GLU A 78 -0.282 -12.371 -9.069 1.00 0.00 O ATOM 0 H GLU A 78 2.305 -7.743 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 78 1.273 -10.373 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.623 -8.758 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.208 -9.501 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.639 -10.623 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.204 -11.728 -9.076 1.00 0.00 H new ATOM 1214 N ALA A 79 4.240 -10.268 -5.585 1.00 0.00 N ATOM 1215 CA ALA A 79 5.326 -11.036 -4.980 1.00 0.00 C ATOM 1216 C ALA A 79 5.108 -11.259 -3.478 1.00 0.00 C ATOM 1217 O ALA A 79 5.246 -12.397 -3.026 1.00 0.00 O ATOM 1218 CB ALA A 79 6.655 -10.330 -5.266 1.00 0.00 C ATOM 0 H ALA A 79 4.261 -9.283 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 79 5.347 -12.030 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.472 -10.896 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.807 -10.264 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.633 -9.327 -4.840 1.00 0.00 H new ATOM 1224 N ILE A 80 4.754 -10.241 -2.687 1.00 0.00 N ATOM 1225 CA ILE A 80 4.452 -10.422 -1.266 1.00 0.00 C ATOM 1226 C ILE A 80 3.214 -11.308 -1.069 1.00 0.00 C ATOM 1227 O ILE A 80 3.238 -12.156 -0.181 1.00 0.00 O ATOM 1228 CB ILE A 80 4.366 -9.062 -0.544 1.00 0.00 C ATOM 1229 CG1 ILE A 80 3.179 -8.228 -1.051 1.00 0.00 C ATOM 1230 CG2 ILE A 80 5.722 -8.346 -0.642 1.00 0.00 C ATOM 1231 CD1 ILE A 80 3.140 -6.792 -0.522 1.00 0.00 C ATOM 0 H ILE A 80 4.670 -9.278 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 80 5.276 -10.960 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 80 4.162 -9.218 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.210 -8.200 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.253 -8.730 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.663 -7.384 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.492 -8.959 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.974 -8.186 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.270 -6.277 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.075 -6.807 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.047 -6.268 -0.824 1.00 0.00 H new ATOM 1243 N LYS A 81 2.209 -11.270 -1.964 1.00 0.00 N ATOM 1244 CA LYS A 81 1.117 -12.257 -1.939 1.00 0.00 C ATOM 1245 C LYS A 81 1.645 -13.682 -2.059 1.00 0.00 C ATOM 1246 O LYS A 81 0.918 -14.637 -1.796 1.00 0.00 O ATOM 1247 CB LYS A 81 0.105 -12.021 -3.081 1.00 0.00 C ATOM 1248 CG LYS A 81 0.561 -12.595 -4.431 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.230 -12.069 -5.619 1.00 0.00 C ATOM 1250 CE LYS A 81 -1.626 -12.651 -5.806 1.00 0.00 C ATOM 1251 NZ LYS A 81 -2.151 -12.234 -7.122 1.00 0.00 N ATOM 0 H LYS A 81 2.132 -10.574 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 81 0.619 -12.129 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.850 -12.470 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.066 -10.950 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.616 -12.362 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.475 -13.681 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.320 -10.987 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.345 -12.259 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.592 -13.739 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.287 -12.306 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.182 -12.372 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.933 -11.230 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.709 -12.806 -7.869 1.00 0.00 H new ATOM 1265 N LYS A 82 2.827 -13.859 -2.654 1.00 0.00 N ATOM 1266 CA LYS A 82 3.370 -15.146 -2.999 1.00 0.00 C ATOM 1267 C LYS A 82 4.219 -15.623 -1.820 1.00 0.00 C ATOM 1268 O LYS A 82 3.961 -16.731 -1.345 1.00 0.00 O ATOM 1269 CB LYS A 82 3.959 -15.061 -4.422 1.00 0.00 C ATOM 1270 CG LYS A 82 5.458 -15.273 -4.600 1.00 0.00 C ATOM 1271 CD LYS A 82 5.974 -16.670 -4.242 1.00 0.00 C ATOM 1272 CE LYS A 82 5.158 -17.844 -4.820 1.00 0.00 C ATOM 1273 NZ LYS A 82 4.147 -18.386 -3.869 1.00 0.00 N ATOM 0 H LYS A 82 3.437 -13.083 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 82 2.655 -15.961 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.444 -15.797 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.712 -14.079 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.716 -15.065 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.986 -14.542 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.003 -16.759 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.995 -16.764 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.652 -17.514 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.840 -18.644 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.275 -19.414 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.268 -17.935 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.191 -18.188 -4.228 1.00 0.00 H new ATOM 1287 N ARG A 83 5.224 -14.866 -1.365 1.00 0.00 N ATOM 1288 CA ARG A 83 5.894 -15.125 -0.084 1.00 0.00 C ATOM 1289 C ARG A 83 5.555 -14.030 0.925 1.00 0.00 C ATOM 1290 O ARG A 83 4.634 -14.213 1.718 1.00 0.00 O ATOM 1291 CB ARG A 83 7.414 -15.349 -0.194 1.00 0.00 C ATOM 1292 CG ARG A 83 7.857 -16.703 -0.765 1.00 0.00 C ATOM 1293 CD ARG A 83 9.312 -16.996 -0.366 1.00 0.00 C ATOM 1294 NE ARG A 83 9.424 -17.588 0.984 1.00 0.00 N ATOM 1295 CZ ARG A 83 10.419 -17.372 1.858 1.00 0.00 C ATOM 1296 NH1 ARG A 83 11.254 -16.350 1.721 1.00 0.00 N ATOM 1297 NH2 ARG A 83 10.598 -18.206 2.874 1.00 0.00 N ATOM 0 H ARG A 83 5.595 -14.061 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 83 5.502 -16.076 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.833 -14.560 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.850 -15.236 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.204 -17.493 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.764 -16.696 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.755 -17.676 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.888 -16.071 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 83 8.677 -18.218 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.148 -15.706 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.002 -16.208 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.980 -19.009 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.354 -18.044 3.540 1.00 0.00 H new