USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 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 47 LYS NZ :NH3+ -148:sc= 1.09 (180deg=0.749) USER MOD Set 1.2: A 51 TYR OH : rot 30:sc= 0.731 USER MOD Set 2.1: A 9 THR OG1 : rot 146:sc= 0.122 USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.327) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.13) USER MOD Single : A 28 ASN : amide:sc= 0.138 K(o=0.14,f=-0.92) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 1.51 K(o=1.5,f=-0.11) USER MOD Single : A 42 MET CE :methyl 173:sc=-0.00295 (180deg=-0.103) USER MOD Single : A 44 ASN : amide:sc= 0.14 K(o=0.14,f=-0.45) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 49 MET CE :methyl -148:sc= 0 (180deg=-0.000673) USER MOD Single : A 54 MET CE :methyl 170:sc= 0 (180deg=-0.0545) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.95) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= -4.63! (180deg=-4.85!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.292 -9.183 10.442 1.00 0.00 N ATOM 32 CA LYS A 2 2.818 -7.797 10.344 1.00 0.00 C ATOM 33 C LYS A 2 3.178 -7.169 8.997 1.00 0.00 C ATOM 34 O LYS A 2 4.068 -6.317 8.903 1.00 0.00 O ATOM 35 CB LYS A 2 3.301 -6.951 11.533 1.00 0.00 C ATOM 36 CG LYS A 2 2.588 -5.583 11.548 1.00 0.00 C ATOM 37 CD LYS A 2 1.416 -5.506 12.531 1.00 0.00 C ATOM 38 CE LYS A 2 1.886 -5.130 13.944 1.00 0.00 C ATOM 39 NZ LYS A 2 0.784 -5.173 14.923 1.00 0.00 N ATOM 0 HA LYS A 2 1.729 -7.818 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.106 -7.480 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.379 -6.805 11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.313 -4.809 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.223 -5.363 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.693 -4.769 12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.902 -6.467 12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.676 -5.813 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.318 -4.129 13.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.144 -4.913 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.041 -4.503 14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.388 -6.134 14.958 1.00 0.00 H new ATOM 53 N VAL A 3 2.476 -7.584 7.953 1.00 0.00 N ATOM 54 CA VAL A 3 2.685 -7.049 6.623 1.00 0.00 C ATOM 55 C VAL A 3 1.911 -5.731 6.541 1.00 0.00 C ATOM 56 O VAL A 3 0.684 -5.745 6.407 1.00 0.00 O ATOM 57 CB VAL A 3 2.269 -8.109 5.581 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.500 -7.620 4.146 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.068 -9.409 5.781 1.00 0.00 C ATOM 0 H VAL A 3 1.750 -8.298 8.007 1.00 0.00 H new ATOM 0 HA VAL A 3 3.730 -6.827 6.408 1.00 0.00 H new ATOM 0 HB VAL A 3 1.205 -8.291 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.194 -8.396 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.913 -6.719 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.557 -7.397 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.760 -10.143 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.132 -9.203 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.878 -9.803 6.780 1.00 0.00 H new ATOM 69 N LYS A 4 2.613 -4.593 6.660 1.00 0.00 N ATOM 70 CA LYS A 4 1.972 -3.302 6.430 1.00 0.00 C ATOM 71 C LYS A 4 1.689 -3.115 4.948 1.00 0.00 C ATOM 72 O LYS A 4 2.298 -3.758 4.080 1.00 0.00 O ATOM 73 CB LYS A 4 2.808 -2.111 6.947 1.00 0.00 C ATOM 74 CG LYS A 4 2.500 -1.750 8.403 1.00 0.00 C ATOM 75 CD LYS A 4 3.367 -2.516 9.408 1.00 0.00 C ATOM 76 CE LYS A 4 2.952 -2.269 10.865 1.00 0.00 C ATOM 77 NZ LYS A 4 2.713 -0.848 11.174 1.00 0.00 N ATOM 0 H LYS A 4 3.601 -4.546 6.908 1.00 0.00 H new ATOM 0 HA LYS A 4 1.040 -3.313 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.867 -2.351 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.621 -1.242 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.649 -0.680 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.449 -1.955 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.306 -3.583 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.409 -2.224 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.046 -2.837 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.730 -2.651 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.985 -0.656 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.280 -0.254 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.704 -0.630 11.045 1.00 0.00 H new ATOM 91 N ILE A 5 0.767 -2.197 4.695 1.00 0.00 N ATOM 92 CA ILE A 5 0.418 -1.582 3.445 1.00 0.00 C ATOM 93 C ILE A 5 -0.026 -0.173 3.806 1.00 0.00 C ATOM 94 O ILE A 5 -0.803 0.011 4.747 1.00 0.00 O ATOM 95 CB ILE A 5 -0.724 -2.363 2.765 1.00 0.00 C ATOM 96 CG1 ILE A 5 -0.220 -3.700 2.212 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.396 -1.566 1.642 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.504 -4.865 3.162 1.00 0.00 C ATOM 0 H ILE A 5 0.188 -1.833 5.452 1.00 0.00 H new ATOM 0 HA ILE A 5 1.251 -1.573 2.742 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.471 -2.545 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.694 -3.895 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.853 -3.635 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.192 -2.163 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.816 -0.647 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.658 -1.320 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.128 -5.790 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.008 -4.686 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.579 -4.950 3.322 1.00 0.00 H new ATOM 110 N GLU A 6 0.376 0.808 3.004 1.00 0.00 N ATOM 111 CA GLU A 6 -0.219 2.139 3.059 1.00 0.00 C ATOM 112 C GLU A 6 -0.463 2.591 1.623 1.00 0.00 C ATOM 113 O GLU A 6 0.308 2.231 0.727 1.00 0.00 O ATOM 114 CB GLU A 6 0.682 3.129 3.812 1.00 0.00 C ATOM 115 CG GLU A 6 1.019 2.716 5.253 1.00 0.00 C ATOM 116 CD GLU A 6 2.121 3.593 5.837 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.911 4.811 6.033 1.00 0.00 O ATOM 118 OE2 GLU A 6 3.228 3.079 6.111 1.00 0.00 O ATOM 0 H GLU A 6 1.113 0.706 2.307 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.159 2.107 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.611 3.250 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.193 4.103 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.126 2.790 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.334 1.673 5.270 1.00 0.00 H new ATOM 125 N LEU A 7 -1.525 3.365 1.389 1.00 0.00 N ATOM 126 CA LEU A 7 -1.893 3.903 0.080 1.00 0.00 C ATOM 127 C LEU A 7 -2.182 5.393 0.209 1.00 0.00 C ATOM 128 O LEU A 7 -3.343 5.805 0.290 1.00 0.00 O ATOM 129 CB LEU A 7 -3.095 3.157 -0.529 1.00 0.00 C ATOM 130 CG LEU A 7 -2.713 1.878 -1.287 1.00 0.00 C ATOM 131 CD1 LEU A 7 -2.754 0.647 -0.391 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.655 1.672 -2.472 1.00 0.00 C ATOM 0 H LEU A 7 -2.171 3.642 2.128 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.055 3.756 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.793 2.901 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.620 3.828 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.689 2.004 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.477 -0.234 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.053 0.774 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.761 0.518 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.377 0.762 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.680 1.582 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.582 2.524 -3.147 1.00 0.00 H new ATOM 144 N PHE A 8 -1.120 6.194 0.179 1.00 0.00 N ATOM 145 CA PHE A 8 -1.169 7.642 0.085 1.00 0.00 C ATOM 146 C PHE A 8 -1.518 8.024 -1.357 1.00 0.00 C ATOM 147 O PHE A 8 -0.645 8.105 -2.225 1.00 0.00 O ATOM 148 CB PHE A 8 0.155 8.225 0.578 1.00 0.00 C ATOM 149 CG PHE A 8 0.159 9.734 0.658 1.00 0.00 C ATOM 150 CD1 PHE A 8 -0.573 10.369 1.675 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.932 10.506 -0.229 1.00 0.00 C ATOM 152 CE1 PHE A 8 -0.562 11.769 1.781 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.957 11.905 -0.114 1.00 0.00 C ATOM 154 CZ PHE A 8 0.189 12.545 0.877 1.00 0.00 C ATOM 0 H PHE A 8 -0.167 5.833 0.221 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.944 8.065 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.378 7.817 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.955 7.903 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.145 9.780 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.509 10.020 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.132 12.253 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.566 12.491 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.176 13.623 0.944 1.00 0.00 H new ATOM 164 N THR A 9 -2.808 8.154 -1.670 1.00 0.00 N ATOM 165 CA THR A 9 -3.262 8.126 -3.060 1.00 0.00 C ATOM 166 C THR A 9 -4.289 9.217 -3.384 1.00 0.00 C ATOM 167 O THR A 9 -4.613 10.062 -2.552 1.00 0.00 O ATOM 168 CB THR A 9 -3.727 6.701 -3.418 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.675 6.213 -2.498 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.573 5.699 -3.514 1.00 0.00 C ATOM 0 H THR A 9 -3.552 8.279 -0.984 1.00 0.00 H new ATOM 0 HA THR A 9 -2.419 8.373 -3.706 1.00 0.00 H new ATOM 0 HB THR A 9 -4.185 6.792 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.321 5.643 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.966 4.715 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.874 6.022 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.056 5.646 -2.556 1.00 0.00 H new ATOM 178 N SER A 10 -4.735 9.244 -4.642 1.00 0.00 N ATOM 179 CA SER A 10 -5.608 10.238 -5.249 1.00 0.00 C ATOM 180 C SER A 10 -5.817 9.859 -6.728 1.00 0.00 C ATOM 181 O SER A 10 -6.962 9.605 -7.095 1.00 0.00 O ATOM 182 CB SER A 10 -5.069 11.660 -4.997 1.00 0.00 C ATOM 183 OG SER A 10 -5.596 12.612 -5.893 1.00 0.00 O ATOM 0 H SER A 10 -4.473 8.516 -5.307 1.00 0.00 H new ATOM 0 HA SER A 10 -6.596 10.246 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.307 11.958 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.982 11.652 -5.081 1.00 0.00 H new ATOM 0 HG SER A 10 -5.224 13.495 -5.688 1.00 0.00 H new ATOM 274 N PRO A 17 -10.566 0.002 -7.692 1.00 0.00 N ATOM 275 CA PRO A 17 -10.215 -0.555 -6.395 1.00 0.00 C ATOM 276 C PRO A 17 -8.732 -0.286 -6.112 1.00 0.00 C ATOM 277 O PRO A 17 -7.865 -0.733 -6.868 1.00 0.00 O ATOM 278 CB PRO A 17 -10.540 -2.049 -6.474 1.00 0.00 C ATOM 279 CG PRO A 17 -10.415 -2.359 -7.966 1.00 0.00 C ATOM 280 CD PRO A 17 -10.914 -1.072 -8.617 1.00 0.00 C ATOM 0 HA PRO A 17 -10.771 -0.103 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.846 -2.643 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.542 -2.263 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.386 -2.584 -8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.020 -3.219 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.445 -0.918 -9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.990 -1.110 -8.785 1.00 0.00 H new ATOM 288 N ALA A 18 -8.431 0.451 -5.041 1.00 0.00 N ATOM 289 CA ALA A 18 -7.065 0.745 -4.629 1.00 0.00 C ATOM 290 C ALA A 18 -6.716 -0.137 -3.435 1.00 0.00 C ATOM 291 O ALA A 18 -6.349 -1.301 -3.618 1.00 0.00 O ATOM 292 CB ALA A 18 -6.910 2.251 -4.388 1.00 0.00 C ATOM 0 H ALA A 18 -9.138 0.863 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.343 0.505 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.887 2.467 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.134 2.792 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.599 2.567 -3.605 1.00 0.00 H new ATOM 298 N ALA A 19 -6.891 0.374 -2.215 1.00 0.00 N ATOM 299 CA ALA A 19 -6.698 -0.404 -1.004 1.00 0.00 C ATOM 300 C ALA A 19 -7.590 -1.647 -0.995 1.00 0.00 C ATOM 301 O ALA A 19 -7.199 -2.647 -0.407 1.00 0.00 O ATOM 302 CB ALA A 19 -6.948 0.495 0.201 1.00 0.00 C ATOM 0 H ALA A 19 -7.171 1.340 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.672 -0.769 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.806 -0.077 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.248 1.330 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.969 0.876 0.165 1.00 0.00 H new ATOM 308 N LYS A 20 -8.720 -1.638 -1.710 1.00 0.00 N ATOM 309 CA LYS A 20 -9.552 -2.814 -1.926 1.00 0.00 C ATOM 310 C LYS A 20 -8.762 -3.958 -2.564 1.00 0.00 C ATOM 311 O LYS A 20 -8.729 -5.047 -1.989 1.00 0.00 O ATOM 312 CB LYS A 20 -10.817 -2.448 -2.725 1.00 0.00 C ATOM 313 CG LYS A 20 -12.101 -2.496 -1.878 1.00 0.00 C ATOM 314 CD LYS A 20 -12.654 -3.916 -1.679 1.00 0.00 C ATOM 315 CE LYS A 20 -11.928 -4.741 -0.605 1.00 0.00 C ATOM 316 NZ LYS A 20 -12.304 -6.163 -0.687 1.00 0.00 N ATOM 0 H LYS A 20 -9.083 -0.797 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.881 -3.181 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.700 -1.447 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.918 -3.133 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.899 -2.054 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.864 -1.881 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.709 -3.847 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.598 -4.450 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.850 -4.639 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.173 -4.353 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.881 -6.680 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.339 -6.251 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.957 -6.563 -1.582 1.00 0.00 H new ATOM 330 N ARG A 21 -8.104 -3.725 -3.710 1.00 0.00 N ATOM 331 CA ARG A 21 -7.248 -4.753 -4.304 1.00 0.00 C ATOM 332 C ARG A 21 -6.140 -5.106 -3.343 1.00 0.00 C ATOM 333 O ARG A 21 -5.828 -6.281 -3.200 1.00 0.00 O ATOM 334 CB ARG A 21 -6.581 -4.323 -5.620 1.00 0.00 C ATOM 335 CG ARG A 21 -7.416 -4.693 -6.842 1.00 0.00 C ATOM 336 CD ARG A 21 -6.603 -4.376 -8.112 1.00 0.00 C ATOM 337 NE ARG A 21 -7.287 -4.773 -9.354 1.00 0.00 N ATOM 338 CZ ARG A 21 -7.619 -6.022 -9.717 1.00 0.00 C ATOM 339 NH1 ARG A 21 -7.230 -7.070 -9.002 1.00 0.00 N ATOM 340 NH2 ARG A 21 -8.355 -6.226 -10.802 1.00 0.00 N ATOM 0 H ARG A 21 -8.148 -2.850 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.906 -5.596 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.419 -3.245 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.600 -4.792 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.677 -5.751 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.352 -4.134 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.396 -3.306 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.641 -4.885 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.533 -4.025 -10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.669 -6.934 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.492 -8.012 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.669 -5.433 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.606 -7.176 -11.077 1.00 0.00 H new ATOM 354 N VAL A 22 -5.496 -4.113 -2.734 1.00 0.00 N ATOM 355 CA VAL A 22 -4.303 -4.433 -1.974 1.00 0.00 C ATOM 356 C VAL A 22 -4.666 -5.249 -0.711 1.00 0.00 C ATOM 357 O VAL A 22 -3.917 -6.164 -0.378 1.00 0.00 O ATOM 358 CB VAL A 22 -3.435 -3.176 -1.768 1.00 0.00 C ATOM 359 CG1 VAL A 22 -2.088 -3.576 -1.170 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.109 -2.459 -3.098 1.00 0.00 C ATOM 0 H VAL A 22 -5.766 -3.130 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.652 -5.103 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.007 -2.514 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.476 -2.686 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.248 -4.067 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.578 -4.261 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.496 -1.581 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.565 -3.139 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.036 -2.151 -3.582 1.00 0.00 H new ATOM 370 N VAL A 23 -5.810 -5.026 -0.046 1.00 0.00 N ATOM 371 CA VAL A 23 -6.238 -5.877 1.069 1.00 0.00 C ATOM 372 C VAL A 23 -6.708 -7.245 0.563 1.00 0.00 C ATOM 373 O VAL A 23 -6.525 -8.233 1.270 1.00 0.00 O ATOM 374 CB VAL A 23 -7.280 -5.179 1.981 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.696 -5.081 1.392 1.00 0.00 C ATOM 376 CG2 VAL A 23 -7.387 -5.886 3.342 1.00 0.00 C ATOM 0 H VAL A 23 -6.453 -4.264 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.370 -6.051 1.704 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.897 -4.164 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.352 -4.578 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.665 -4.513 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.077 -6.082 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.125 -5.375 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.694 -6.921 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.418 -5.864 3.841 1.00 0.00 H new ATOM 386 N GLU A 24 -7.303 -7.344 -0.631 1.00 0.00 N ATOM 387 CA GLU A 24 -7.637 -8.634 -1.239 1.00 0.00 C ATOM 388 C GLU A 24 -6.352 -9.438 -1.441 1.00 0.00 C ATOM 389 O GLU A 24 -6.227 -10.573 -0.979 1.00 0.00 O ATOM 390 CB GLU A 24 -8.380 -8.410 -2.570 1.00 0.00 C ATOM 391 CG GLU A 24 -9.855 -8.057 -2.324 1.00 0.00 C ATOM 392 CD GLU A 24 -10.538 -7.325 -3.489 1.00 0.00 C ATOM 393 OE1 GLU A 24 -9.955 -7.154 -4.582 1.00 0.00 O ATOM 394 OE2 GLU A 24 -11.693 -6.874 -3.270 1.00 0.00 O ATOM 0 H GLU A 24 -7.564 -6.538 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.299 -9.199 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.899 -7.608 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.315 -9.309 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.405 -8.975 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.923 -7.435 -1.431 1.00 0.00 H new ATOM 401 N GLU A 25 -5.380 -8.831 -2.115 1.00 0.00 N ATOM 402 CA GLU A 25 -4.163 -9.500 -2.510 1.00 0.00 C ATOM 403 C GLU A 25 -3.281 -9.823 -1.303 1.00 0.00 C ATOM 404 O GLU A 25 -2.663 -10.884 -1.263 1.00 0.00 O ATOM 405 CB GLU A 25 -3.421 -8.642 -3.546 1.00 0.00 C ATOM 406 CG GLU A 25 -2.416 -9.521 -4.301 1.00 0.00 C ATOM 407 CD GLU A 25 -3.090 -10.275 -5.461 1.00 0.00 C ATOM 408 OE1 GLU A 25 -4.053 -11.056 -5.240 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.706 -10.046 -6.630 1.00 0.00 O ATOM 0 H GLU A 25 -5.423 -7.853 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.419 -10.456 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.131 -8.198 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.904 -7.820 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.608 -8.901 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.967 -10.236 -3.612 1.00 0.00 H new ATOM 416 N VAL A 26 -3.218 -8.956 -0.294 1.00 0.00 N ATOM 417 CA VAL A 26 -2.435 -9.283 0.889 1.00 0.00 C ATOM 418 C VAL A 26 -3.191 -10.318 1.713 1.00 0.00 C ATOM 419 O VAL A 26 -2.541 -11.219 2.233 1.00 0.00 O ATOM 420 CB VAL A 26 -2.016 -8.028 1.668 1.00 0.00 C ATOM 421 CG1 VAL A 26 -1.184 -8.424 2.905 1.00 0.00 C ATOM 422 CG2 VAL A 26 -1.175 -7.094 0.768 1.00 0.00 C ATOM 0 H VAL A 26 -3.685 -8.049 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.487 -9.735 0.596 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.917 -7.505 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.892 -7.526 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.780 -9.065 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.291 -8.961 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.885 -6.208 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.281 -7.620 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.765 -6.794 -0.098 1.00 0.00 H new ATOM 432 N ALA A 27 -4.528 -10.286 1.789 1.00 0.00 N ATOM 433 CA ALA A 27 -5.257 -11.342 2.480 1.00 0.00 C ATOM 434 C ALA A 27 -5.046 -12.699 1.797 1.00 0.00 C ATOM 435 O ALA A 27 -5.066 -13.723 2.482 1.00 0.00 O ATOM 436 CB ALA A 27 -6.747 -11.023 2.579 1.00 0.00 C ATOM 0 H ALA A 27 -5.112 -9.553 1.387 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.857 -11.400 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.259 -11.832 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.884 -10.093 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.164 -10.916 1.577 1.00 0.00 H new ATOM 442 N ASN A 28 -4.798 -12.729 0.478 1.00 0.00 N ATOM 443 CA ASN A 28 -4.424 -13.956 -0.236 1.00 0.00 C ATOM 444 C ASN A 28 -3.160 -14.608 0.337 1.00 0.00 C ATOM 445 O ASN A 28 -2.990 -15.815 0.153 1.00 0.00 O ATOM 446 CB ASN A 28 -4.243 -13.739 -1.757 1.00 0.00 C ATOM 447 CG ASN A 28 -5.525 -13.881 -2.561 1.00 0.00 C ATOM 448 OD1 ASN A 28 -6.348 -14.746 -2.266 1.00 0.00 O ATOM 449 ND2 ASN A 28 -5.701 -13.108 -3.622 1.00 0.00 N ATOM 0 H ASN A 28 -4.851 -11.905 -0.120 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.266 -14.632 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.830 -12.744 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.511 -14.455 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.528 -13.226 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.010 -12.395 -3.854 1.00 0.00 H new ATOM 456 N GLU A 29 -2.292 -13.876 1.042 1.00 0.00 N ATOM 457 CA GLU A 29 -1.103 -14.428 1.690 1.00 0.00 C ATOM 458 C GLU A 29 -1.202 -14.372 3.221 1.00 0.00 C ATOM 459 O GLU A 29 -0.685 -15.279 3.880 1.00 0.00 O ATOM 460 CB GLU A 29 0.160 -13.713 1.178 1.00 0.00 C ATOM 461 CG GLU A 29 0.650 -14.243 -0.178 1.00 0.00 C ATOM 462 CD GLU A 29 1.491 -15.519 -0.036 1.00 0.00 C ATOM 463 OE1 GLU A 29 0.969 -16.544 0.463 1.00 0.00 O ATOM 464 OE2 GLU A 29 2.691 -15.515 -0.385 1.00 0.00 O ATOM 0 H GLU A 29 -2.399 -12.871 1.179 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.035 -15.483 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.045 -12.646 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.956 -13.826 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.209 -14.446 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.242 -13.474 -0.674 1.00 0.00 H new ATOM 471 N MET A 30 -1.883 -13.378 3.798 1.00 0.00 N ATOM 472 CA MET A 30 -2.053 -13.158 5.231 1.00 0.00 C ATOM 473 C MET A 30 -3.443 -12.577 5.520 1.00 0.00 C ATOM 474 O MET A 30 -3.579 -11.359 5.647 1.00 0.00 O ATOM 475 CB MET A 30 -0.984 -12.205 5.784 1.00 0.00 C ATOM 476 CG MET A 30 0.424 -12.787 5.725 1.00 0.00 C ATOM 477 SD MET A 30 1.336 -12.316 4.235 1.00 0.00 S ATOM 478 CE MET A 30 2.835 -13.272 4.523 1.00 0.00 C ATOM 0 H MET A 30 -2.357 -12.666 3.242 1.00 0.00 H new ATOM 0 HA MET A 30 -1.947 -14.124 5.724 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.009 -11.273 5.219 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.226 -11.958 6.818 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.982 -12.459 6.602 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.362 -13.874 5.775 1.00 0.00 H new ATOM 0 HE1 MET A 30 3.532 -13.112 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.297 -12.952 5.457 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.585 -14.331 4.586 1.00 0.00 H new ATOM 488 N PRO A 31 -4.484 -13.407 5.676 1.00 0.00 N ATOM 489 CA PRO A 31 -5.845 -12.969 5.974 1.00 0.00 C ATOM 490 C PRO A 31 -5.991 -12.601 7.465 1.00 0.00 C ATOM 491 O PRO A 31 -6.961 -12.993 8.112 1.00 0.00 O ATOM 492 CB PRO A 31 -6.715 -14.156 5.540 1.00 0.00 C ATOM 493 CG PRO A 31 -5.839 -15.362 5.876 1.00 0.00 C ATOM 494 CD PRO A 31 -4.425 -14.855 5.593 1.00 0.00 C ATOM 0 HA PRO A 31 -6.140 -12.059 5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.662 -14.182 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.955 -14.114 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.957 -15.668 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.088 -16.225 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.716 -15.257 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.088 -15.174 4.607 1.00 0.00 H new ATOM 502 N ASP A 32 -5.038 -11.848 8.022 1.00 0.00 N ATOM 503 CA ASP A 32 -4.856 -11.624 9.456 1.00 0.00 C ATOM 504 C ASP A 32 -3.685 -10.664 9.666 1.00 0.00 C ATOM 505 O ASP A 32 -3.907 -9.526 10.059 1.00 0.00 O ATOM 506 CB ASP A 32 -4.579 -12.943 10.196 1.00 0.00 C ATOM 507 CG ASP A 32 -4.022 -12.679 11.595 1.00 0.00 C ATOM 508 OD1 ASP A 32 -4.646 -11.922 12.369 1.00 0.00 O ATOM 509 OD2 ASP A 32 -2.930 -13.210 11.899 1.00 0.00 O ATOM 0 H ASP A 32 -4.343 -11.357 7.460 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.774 -11.196 9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.499 -13.523 10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.870 -13.542 9.625 1.00 0.00 H new ATOM 514 N ALA A 33 -2.448 -11.065 9.343 1.00 0.00 N ATOM 515 CA ALA A 33 -1.270 -10.218 9.555 1.00 0.00 C ATOM 516 C ALA A 33 -1.188 -8.997 8.628 1.00 0.00 C ATOM 517 O ALA A 33 -0.193 -8.273 8.673 1.00 0.00 O ATOM 518 CB ALA A 33 0.004 -11.046 9.405 1.00 0.00 C ATOM 0 H ALA A 33 -2.238 -11.975 8.932 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.371 -9.829 10.568 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.873 -10.408 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.004 -11.850 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.045 -11.472 8.402 1.00 0.00 H new ATOM 524 N VAL A 34 -2.172 -8.805 7.756 1.00 0.00 N ATOM 525 CA VAL A 34 -2.338 -7.629 6.929 1.00 0.00 C ATOM 526 C VAL A 34 -2.573 -6.404 7.839 1.00 0.00 C ATOM 527 O VAL A 34 -3.277 -6.493 8.850 1.00 0.00 O ATOM 528 CB VAL A 34 -3.484 -7.934 5.929 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.842 -8.245 6.584 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.678 -6.799 4.924 1.00 0.00 C ATOM 0 H VAL A 34 -2.904 -9.499 7.604 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.454 -7.383 6.341 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.152 -8.840 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.582 -8.445 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.744 -9.119 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.163 -7.390 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.490 -7.052 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.924 -5.880 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.759 -6.654 4.356 1.00 0.00 H new ATOM 540 N GLU A 35 -2.004 -5.252 7.486 1.00 0.00 N ATOM 541 CA GLU A 35 -2.367 -3.939 8.014 1.00 0.00 C ATOM 542 C GLU A 35 -2.387 -2.998 6.802 1.00 0.00 C ATOM 543 O GLU A 35 -1.464 -3.061 5.998 1.00 0.00 O ATOM 544 CB GLU A 35 -1.359 -3.534 9.105 1.00 0.00 C ATOM 545 CG GLU A 35 -1.741 -2.206 9.765 1.00 0.00 C ATOM 546 CD GLU A 35 -0.782 -1.798 10.883 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.932 -2.288 12.031 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.072 -0.916 10.652 1.00 0.00 O ATOM 0 H GLU A 35 -1.251 -5.207 6.800 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.343 -3.914 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.309 -4.316 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.364 -3.450 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.762 -1.423 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.750 -2.285 10.170 1.00 0.00 H new ATOM 555 N VAL A 36 -3.448 -2.212 6.602 1.00 0.00 N ATOM 556 CA VAL A 36 -3.810 -1.604 5.316 1.00 0.00 C ATOM 557 C VAL A 36 -4.415 -0.213 5.531 1.00 0.00 C ATOM 558 O VAL A 36 -5.631 -0.090 5.687 1.00 0.00 O ATOM 559 CB VAL A 36 -4.793 -2.522 4.539 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.062 -3.560 3.682 1.00 0.00 C ATOM 561 CG2 VAL A 36 -5.807 -3.249 5.444 1.00 0.00 C ATOM 0 H VAL A 36 -4.098 -1.973 7.351 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.906 -1.491 4.718 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.346 -1.839 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.791 -4.178 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.429 -3.051 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.445 -4.191 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.460 -3.871 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.273 -3.876 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.406 -2.515 5.983 1.00 0.00 H new ATOM 571 N GLU A 37 -3.609 0.849 5.504 1.00 0.00 N ATOM 572 CA GLU A 37 -4.114 2.204 5.631 1.00 0.00 C ATOM 573 C GLU A 37 -4.310 2.764 4.231 1.00 0.00 C ATOM 574 O GLU A 37 -3.347 3.083 3.535 1.00 0.00 O ATOM 575 CB GLU A 37 -3.176 3.022 6.535 1.00 0.00 C ATOM 576 CG GLU A 37 -3.581 2.998 8.021 1.00 0.00 C ATOM 577 CD GLU A 37 -4.133 1.655 8.521 1.00 0.00 C ATOM 578 OE1 GLU A 37 -3.351 0.771 8.944 1.00 0.00 O ATOM 579 OE2 GLU A 37 -5.376 1.490 8.493 1.00 0.00 O ATOM 0 H GLU A 37 -2.597 0.789 5.394 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.085 2.243 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.161 2.636 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.159 4.055 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.712 3.264 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.333 3.768 8.190 1.00 0.00 H new ATOM 586 N TYR A 38 -5.563 2.837 3.784 1.00 0.00 N ATOM 587 CA TYR A 38 -5.937 3.721 2.695 1.00 0.00 C ATOM 588 C TYR A 38 -5.981 5.136 3.260 1.00 0.00 C ATOM 589 O TYR A 38 -6.732 5.373 4.210 1.00 0.00 O ATOM 590 CB TYR A 38 -7.313 3.350 2.141 1.00 0.00 C ATOM 591 CG TYR A 38 -7.580 4.045 0.828 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.763 3.771 -0.280 1.00 0.00 C ATOM 593 CD2 TYR A 38 -8.580 5.026 0.733 1.00 0.00 C ATOM 594 CE1 TYR A 38 -6.925 4.467 -1.479 1.00 0.00 C ATOM 595 CE2 TYR A 38 -8.735 5.749 -0.458 1.00 0.00 C ATOM 596 CZ TYR A 38 -7.886 5.498 -1.559 1.00 0.00 C ATOM 597 OH TYR A 38 -7.947 6.280 -2.668 1.00 0.00 O ATOM 0 H TYR A 38 -6.335 2.290 4.165 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.217 3.639 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.373 2.270 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.084 3.622 2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.999 3.012 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.228 5.223 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.320 4.219 -2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.507 6.501 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.663 6.941 -2.563 1.00 0.00 H new ATOM 607 N ILE A 39 -5.194 6.057 2.702 1.00 0.00 N ATOM 608 CA ILE A 39 -5.195 7.458 3.089 1.00 0.00 C ATOM 609 C ILE A 39 -5.138 8.285 1.803 1.00 0.00 C ATOM 610 O ILE A 39 -4.068 8.519 1.242 1.00 0.00 O ATOM 611 CB ILE A 39 -4.102 7.798 4.143 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.620 7.449 3.839 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.487 7.238 5.525 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.209 5.969 3.823 1.00 0.00 C ATOM 0 H ILE A 39 -4.530 5.842 1.958 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.112 7.712 3.621 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.105 8.888 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.371 7.874 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.000 7.958 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.710 7.486 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.433 7.676 5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.591 6.155 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.146 5.889 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.406 5.526 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.783 5.440 3.062 1.00 0.00 H new ATOM 626 N ASN A 40 -6.293 8.676 1.260 1.00 0.00 N ATOM 627 CA ASN A 40 -6.281 9.627 0.153 1.00 0.00 C ATOM 628 C ASN A 40 -5.704 10.964 0.620 1.00 0.00 C ATOM 629 O ASN A 40 -5.662 11.268 1.811 1.00 0.00 O ATOM 630 CB ASN A 40 -7.664 9.833 -0.479 1.00 0.00 C ATOM 631 CG ASN A 40 -8.695 10.297 0.544 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.349 9.463 1.157 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.862 11.592 0.756 1.00 0.00 N ATOM 0 H ASN A 40 -7.217 8.361 1.557 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.646 9.201 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.591 10.569 -1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.998 8.900 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.546 11.913 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.307 12.270 0.234 1.00 0.00 H new ATOM 640 N VAL A 41 -5.286 11.784 -0.341 1.00 0.00 N ATOM 641 CA VAL A 41 -4.846 13.147 -0.097 1.00 0.00 C ATOM 642 C VAL A 41 -5.993 13.923 0.575 1.00 0.00 C ATOM 643 O VAL A 41 -7.143 13.786 0.154 1.00 0.00 O ATOM 644 CB VAL A 41 -4.358 13.748 -1.436 1.00 0.00 C ATOM 645 CG1 VAL A 41 -5.487 14.160 -2.393 1.00 0.00 C ATOM 646 CG2 VAL A 41 -3.445 14.949 -1.191 1.00 0.00 C ATOM 0 H VAL A 41 -5.244 11.513 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.002 13.199 0.591 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.809 12.942 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.058 14.571 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.093 13.288 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.112 14.914 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.114 15.355 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.991 15.715 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.578 14.634 -0.611 1.00 0.00 H new ATOM 656 N MET A 42 -5.672 14.745 1.580 1.00 0.00 N ATOM 657 CA MET A 42 -6.578 15.566 2.387 1.00 0.00 C ATOM 658 C MET A 42 -5.680 16.334 3.366 1.00 0.00 C ATOM 659 O MET A 42 -5.201 17.407 3.006 1.00 0.00 O ATOM 660 CB MET A 42 -7.667 14.727 3.102 1.00 0.00 C ATOM 661 CG MET A 42 -9.054 14.828 2.449 1.00 0.00 C ATOM 662 SD MET A 42 -10.265 13.570 2.961 1.00 0.00 S ATOM 663 CE MET A 42 -10.127 13.662 4.770 1.00 0.00 C ATOM 0 H MET A 42 -4.701 14.862 1.871 1.00 0.00 H new ATOM 0 HA MET A 42 -7.149 16.252 1.761 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.357 13.682 3.116 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.740 15.052 4.140 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.467 15.813 2.668 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.931 14.767 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.896 13.039 5.226 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.143 13.308 5.078 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.258 14.695 5.093 1.00 0.00 H new ATOM 673 N GLU A 43 -5.345 15.772 4.532 1.00 0.00 N ATOM 674 CA GLU A 43 -4.570 16.436 5.589 1.00 0.00 C ATOM 675 C GLU A 43 -3.118 16.682 5.167 1.00 0.00 C ATOM 676 O GLU A 43 -2.429 17.516 5.749 1.00 0.00 O ATOM 677 CB GLU A 43 -4.561 15.578 6.866 1.00 0.00 C ATOM 678 CG GLU A 43 -5.923 15.463 7.567 1.00 0.00 C ATOM 679 CD GLU A 43 -6.982 14.716 6.754 1.00 0.00 C ATOM 680 OE1 GLU A 43 -6.601 13.773 6.026 1.00 0.00 O ATOM 681 OE2 GLU A 43 -8.151 15.156 6.791 1.00 0.00 O ATOM 0 H GLU A 43 -5.612 14.818 4.774 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.052 17.396 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.211 14.577 6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.841 16.000 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.787 14.954 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.291 16.465 7.790 1.00 0.00 H new ATOM 688 N ASN A 44 -2.669 15.949 4.145 1.00 0.00 N ATOM 689 CA ASN A 44 -1.306 15.952 3.605 1.00 0.00 C ATOM 690 C ASN A 44 -0.253 15.804 4.721 1.00 0.00 C ATOM 691 O ASN A 44 0.648 16.637 4.848 1.00 0.00 O ATOM 692 CB ASN A 44 -1.082 17.200 2.729 1.00 0.00 C ATOM 693 CG ASN A 44 -1.730 17.069 1.365 1.00 0.00 C ATOM 694 OD1 ASN A 44 -1.122 16.573 0.426 1.00 0.00 O ATOM 695 ND2 ASN A 44 -2.984 17.464 1.217 1.00 0.00 N ATOM 0 H ASN A 44 -3.279 15.302 3.645 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.182 15.080 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.485 18.076 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.012 17.368 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.450 17.356 0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.485 17.877 2.004 1.00 0.00 H new ATOM 702 N PRO A 45 -0.320 14.742 5.548 1.00 0.00 N ATOM 703 CA PRO A 45 0.624 14.572 6.636 1.00 0.00 C ATOM 704 C PRO A 45 2.032 14.353 6.076 1.00 0.00 C ATOM 705 O PRO A 45 2.238 13.590 5.123 1.00 0.00 O ATOM 706 CB PRO A 45 0.115 13.366 7.432 1.00 0.00 C ATOM 707 CG PRO A 45 -0.634 12.538 6.389 1.00 0.00 C ATOM 708 CD PRO A 45 -1.242 13.617 5.495 1.00 0.00 C ATOM 0 HA PRO A 45 0.692 15.449 7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.936 12.803 7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.540 13.671 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.035 11.880 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.398 11.907 6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.361 13.257 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.232 13.906 5.849 1.00 0.00 H new ATOM 716 N GLN A 46 3.029 14.949 6.736 1.00 0.00 N ATOM 717 CA GLN A 46 4.436 14.753 6.386 1.00 0.00 C ATOM 718 C GLN A 46 4.862 13.290 6.539 1.00 0.00 C ATOM 719 O GLN A 46 5.822 12.890 5.905 1.00 0.00 O ATOM 720 CB GLN A 46 5.357 15.704 7.164 1.00 0.00 C ATOM 721 CG GLN A 46 5.069 17.181 6.835 1.00 0.00 C ATOM 722 CD GLN A 46 5.880 18.150 7.695 1.00 0.00 C ATOM 723 OE1 GLN A 46 6.985 17.864 8.131 1.00 0.00 O ATOM 724 NE2 GLN A 46 5.346 19.330 7.973 1.00 0.00 N ATOM 0 H GLN A 46 2.883 15.579 7.525 1.00 0.00 H new ATOM 0 HA GLN A 46 4.540 15.005 5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.229 15.539 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.397 15.476 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.290 17.364 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.007 17.379 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.424 19.571 7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.857 19.998 8.550 1.00 0.00 H new ATOM 733 N LYS A 47 4.080 12.461 7.239 1.00 0.00 N ATOM 734 CA LYS A 47 4.130 11.001 7.183 1.00 0.00 C ATOM 735 C LYS A 47 4.337 10.483 5.766 1.00 0.00 C ATOM 736 O LYS A 47 5.019 9.481 5.576 1.00 0.00 O ATOM 737 CB LYS A 47 2.812 10.476 7.788 1.00 0.00 C ATOM 738 CG LYS A 47 2.541 8.963 7.720 1.00 0.00 C ATOM 739 CD LYS A 47 1.581 8.487 6.600 1.00 0.00 C ATOM 740 CE LYS A 47 2.214 8.100 5.252 1.00 0.00 C ATOM 741 NZ LYS A 47 3.261 7.066 5.411 1.00 0.00 N ATOM 0 H LYS A 47 3.369 12.805 7.884 1.00 0.00 H new ATOM 0 HA LYS A 47 4.987 10.639 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.783 10.774 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.988 10.986 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.494 8.450 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.132 8.645 8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.027 7.626 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.855 9.279 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.439 7.732 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.646 8.986 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.997 7.203 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.686 7.144 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.837 6.123 5.299 1.00 0.00 H new ATOM 755 N ALA A 48 3.604 11.028 4.792 1.00 0.00 N ATOM 756 CA ALA A 48 3.880 10.790 3.386 1.00 0.00 C ATOM 757 C ALA A 48 4.807 11.832 2.775 1.00 0.00 C ATOM 758 O ALA A 48 5.674 11.480 1.989 1.00 0.00 O ATOM 759 CB ALA A 48 2.590 10.694 2.600 1.00 0.00 C ATOM 0 H ALA A 48 2.808 11.643 4.962 1.00 0.00 H new ATOM 0 HA ALA A 48 4.406 9.837 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.817 10.516 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.989 9.871 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.034 11.626 2.698 1.00 0.00 H new ATOM 765 N MET A 49 4.564 13.123 3.031 1.00 0.00 N ATOM 766 CA MET A 49 5.278 14.176 2.293 1.00 0.00 C ATOM 767 C MET A 49 6.775 14.251 2.631 1.00 0.00 C ATOM 768 O MET A 49 7.505 14.987 1.974 1.00 0.00 O ATOM 769 CB MET A 49 4.604 15.549 2.424 1.00 0.00 C ATOM 770 CG MET A 49 3.151 15.532 1.937 1.00 0.00 C ATOM 771 SD MET A 49 2.552 17.147 1.371 1.00 0.00 S ATOM 772 CE MET A 49 3.329 17.228 -0.267 1.00 0.00 C ATOM 0 H MET A 49 3.897 13.460 3.725 1.00 0.00 H new ATOM 0 HA MET A 49 5.213 13.881 1.246 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.632 15.867 3.466 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.168 16.285 1.851 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.059 14.814 1.122 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.510 15.180 2.746 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.561 18.265 -0.509 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.248 16.642 -0.263 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.645 16.826 -1.014 1.00 0.00 H new ATOM 782 N GLU A 50 7.255 13.471 3.602 1.00 0.00 N ATOM 783 CA GLU A 50 8.666 13.189 3.806 1.00 0.00 C ATOM 784 C GLU A 50 9.294 12.541 2.557 1.00 0.00 C ATOM 785 O GLU A 50 10.505 12.642 2.357 1.00 0.00 O ATOM 786 CB GLU A 50 8.850 12.289 5.050 1.00 0.00 C ATOM 787 CG GLU A 50 8.219 10.892 4.897 1.00 0.00 C ATOM 788 CD GLU A 50 8.512 9.965 6.077 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.790 9.988 7.100 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.496 9.192 5.987 1.00 0.00 O ATOM 0 H GLU A 50 6.652 13.009 4.283 1.00 0.00 H new ATOM 0 HA GLU A 50 9.185 14.132 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.915 12.178 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.410 12.785 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.140 10.998 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.590 10.432 3.981 1.00 0.00 H new ATOM 797 N TYR A 51 8.508 11.845 1.725 1.00 0.00 N ATOM 798 CA TYR A 51 8.993 11.088 0.581 1.00 0.00 C ATOM 799 C TYR A 51 9.340 12.025 -0.559 1.00 0.00 C ATOM 800 O TYR A 51 8.460 12.657 -1.149 1.00 0.00 O ATOM 801 CB TYR A 51 7.949 10.099 0.060 1.00 0.00 C ATOM 802 CG TYR A 51 7.369 9.115 1.064 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.110 8.664 2.170 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.039 8.687 0.908 1.00 0.00 C ATOM 805 CE1 TYR A 51 7.510 7.846 3.138 1.00 0.00 C ATOM 806 CE2 TYR A 51 5.436 7.834 1.851 1.00 0.00 C ATOM 807 CZ TYR A 51 6.176 7.419 2.980 1.00 0.00 C ATOM 808 OH TYR A 51 5.615 6.592 3.900 1.00 0.00 O ATOM 0 H TYR A 51 7.495 11.796 1.838 1.00 0.00 H new ATOM 0 HA TYR A 51 9.871 10.539 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.126 10.670 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.399 9.528 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.146 8.949 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.471 9.018 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.072 7.542 4.008 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.418 7.500 1.713 1.00 0.00 H new ATOM 0 HH TYR A 51 6.018 6.758 4.778 1.00 0.00 H new ATOM 818 N GLY A 52 10.607 12.024 -0.958 1.00 0.00 N ATOM 819 CA GLY A 52 11.078 12.855 -2.045 1.00 0.00 C ATOM 820 C GLY A 52 10.499 12.508 -3.418 1.00 0.00 C ATOM 821 O GLY A 52 10.787 13.229 -4.376 1.00 0.00 O ATOM 0 H GLY A 52 11.331 11.445 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.840 13.894 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.164 12.781 -2.096 1.00 0.00 H new ATOM 825 N ILE A 53 9.714 11.434 -3.558 1.00 0.00 N ATOM 826 CA ILE A 53 8.972 11.154 -4.785 1.00 0.00 C ATOM 827 C ILE A 53 7.862 12.200 -4.966 1.00 0.00 C ATOM 828 O ILE A 53 7.706 12.729 -6.060 1.00 0.00 O ATOM 829 CB ILE A 53 8.469 9.684 -4.837 1.00 0.00 C ATOM 830 CG1 ILE A 53 7.242 9.402 -3.936 1.00 0.00 C ATOM 831 CG2 ILE A 53 9.644 8.728 -4.544 1.00 0.00 C ATOM 832 CD1 ILE A 53 6.846 7.925 -3.812 1.00 0.00 C ATOM 0 H ILE A 53 9.578 10.738 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 53 9.641 11.245 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 53 8.102 9.504 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.447 9.791 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.390 9.958 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.292 7.697 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.425 8.871 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.047 8.939 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.977 7.835 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.603 7.529 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.677 7.360 -3.389 1.00 0.00 H new ATOM 844 N MET A 54 7.092 12.494 -3.905 1.00 0.00 N ATOM 845 CA MET A 54 5.846 13.279 -3.836 1.00 0.00 C ATOM 846 C MET A 54 4.749 12.969 -4.882 1.00 0.00 C ATOM 847 O MET A 54 3.617 13.412 -4.713 1.00 0.00 O ATOM 848 CB MET A 54 6.167 14.784 -3.804 1.00 0.00 C ATOM 849 CG MET A 54 7.002 15.170 -2.577 1.00 0.00 C ATOM 850 SD MET A 54 7.244 16.953 -2.371 1.00 0.00 S ATOM 851 CE MET A 54 8.040 16.936 -0.742 1.00 0.00 C ATOM 0 H MET A 54 7.353 12.153 -2.980 1.00 0.00 H new ATOM 0 HA MET A 54 5.388 12.953 -2.902 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.707 15.058 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.237 15.353 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.518 14.775 -1.684 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.977 14.689 -2.650 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.428 17.929 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.311 16.650 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.860 16.218 -0.745 1.00 0.00 H new ATOM 861 N ALA A 55 5.041 12.193 -5.926 1.00 0.00 N ATOM 862 CA ALA A 55 4.311 12.127 -7.185 1.00 0.00 C ATOM 863 C ALA A 55 2.879 11.592 -7.096 1.00 0.00 C ATOM 864 O ALA A 55 2.064 11.947 -7.946 1.00 0.00 O ATOM 865 CB ALA A 55 5.128 11.222 -8.112 1.00 0.00 C ATOM 0 H ALA A 55 5.840 11.559 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 55 4.198 13.149 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.624 11.137 -9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.119 11.651 -8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.223 10.233 -7.664 1.00 0.00 H new ATOM 871 N VAL A 56 2.602 10.739 -6.102 1.00 0.00 N ATOM 872 CA VAL A 56 1.470 9.810 -5.990 1.00 0.00 C ATOM 873 C VAL A 56 1.274 8.910 -7.247 1.00 0.00 C ATOM 874 O VAL A 56 1.901 9.154 -8.277 1.00 0.00 O ATOM 875 CB VAL A 56 0.209 10.525 -5.425 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.464 10.991 -3.982 1.00 0.00 C ATOM 877 CG2 VAL A 56 -0.340 11.716 -6.219 1.00 0.00 C ATOM 0 H VAL A 56 3.214 10.675 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 56 1.711 9.062 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.559 9.755 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.426 11.490 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.695 10.129 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.304 11.685 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.218 12.118 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.424 12.490 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.618 11.388 -7.221 1.00 0.00 H new ATOM 887 N PRO A 57 0.461 7.825 -7.223 1.00 0.00 N ATOM 888 CA PRO A 57 -0.112 7.124 -6.072 1.00 0.00 C ATOM 889 C PRO A 57 1.004 6.471 -5.247 1.00 0.00 C ATOM 890 O PRO A 57 1.587 5.473 -5.652 1.00 0.00 O ATOM 891 CB PRO A 57 -1.075 6.084 -6.662 1.00 0.00 C ATOM 892 CG PRO A 57 -0.458 5.746 -8.003 1.00 0.00 C ATOM 893 CD PRO A 57 0.231 7.036 -8.434 1.00 0.00 C ATOM 0 HA PRO A 57 -0.640 7.794 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.154 5.204 -6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.081 6.488 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.253 4.924 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.216 5.439 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.173 6.820 -8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.390 7.587 -9.141 1.00 0.00 H new ATOM 901 N THR A 58 1.315 7.047 -4.097 1.00 0.00 N ATOM 902 CA THR A 58 2.386 6.642 -3.208 1.00 0.00 C ATOM 903 C THR A 58 1.876 5.445 -2.408 1.00 0.00 C ATOM 904 O THR A 58 0.823 5.524 -1.776 1.00 0.00 O ATOM 905 CB THR A 58 2.687 7.887 -2.361 1.00 0.00 C ATOM 906 OG1 THR A 58 3.353 8.851 -3.159 1.00 0.00 O ATOM 907 CG2 THR A 58 3.452 7.694 -1.058 1.00 0.00 C ATOM 0 H THR A 58 0.798 7.852 -3.742 1.00 0.00 H new ATOM 0 HA THR A 58 3.307 6.320 -3.694 1.00 0.00 H new ATOM 0 HB THR A 58 1.701 8.214 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.544 9.647 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.590 8.659 -0.571 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.889 7.032 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.426 7.252 -1.270 1.00 0.00 H new ATOM 915 N ILE A 59 2.594 4.325 -2.447 1.00 0.00 N ATOM 916 CA ILE A 59 2.193 3.096 -1.784 1.00 0.00 C ATOM 917 C ILE A 59 3.317 2.724 -0.813 1.00 0.00 C ATOM 918 O ILE A 59 4.433 3.243 -0.890 1.00 0.00 O ATOM 919 CB ILE A 59 1.889 1.985 -2.827 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.178 2.468 -4.112 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.111 0.808 -2.205 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.265 2.939 -3.933 1.00 0.00 C ATOM 0 H ILE A 59 3.480 4.249 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 59 1.267 3.223 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 59 2.877 1.646 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.757 3.286 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.188 1.655 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.920 0.054 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.700 0.368 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.163 1.169 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.667 3.255 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.868 2.121 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.290 3.777 -3.236 1.00 0.00 H new ATOM 934 N VAL A 60 3.046 1.791 0.084 1.00 0.00 N ATOM 935 CA VAL A 60 4.004 1.187 0.987 1.00 0.00 C ATOM 936 C VAL A 60 3.547 -0.267 1.056 1.00 0.00 C ATOM 937 O VAL A 60 2.337 -0.520 1.091 1.00 0.00 O ATOM 938 CB VAL A 60 4.011 1.914 2.356 1.00 0.00 C ATOM 939 CG1 VAL A 60 5.196 1.485 3.226 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.082 3.452 2.237 1.00 0.00 C ATOM 0 H VAL A 60 2.105 1.418 0.206 1.00 0.00 H new ATOM 0 HA VAL A 60 5.040 1.260 0.657 1.00 0.00 H new ATOM 0 HB VAL A 60 3.063 1.627 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.162 2.019 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.142 0.412 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.128 1.718 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.083 3.894 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.995 3.735 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.218 3.814 1.680 1.00 0.00 H new ATOM 950 N ILE A 61 4.486 -1.206 0.944 1.00 0.00 N ATOM 951 CA ILE A 61 4.249 -2.646 1.150 1.00 0.00 C ATOM 952 C ILE A 61 4.750 -3.060 2.539 1.00 0.00 C ATOM 953 O ILE A 61 4.825 -2.187 3.399 1.00 0.00 O ATOM 954 CB ILE A 61 4.846 -3.459 -0.017 1.00 0.00 C ATOM 955 CG1 ILE A 61 6.344 -3.145 -0.212 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.962 -3.189 -1.243 1.00 0.00 C ATOM 957 CD1 ILE A 61 7.034 -4.054 -1.226 1.00 0.00 C ATOM 0 H ILE A 61 5.453 -0.989 0.703 1.00 0.00 H new ATOM 0 HA ILE A 61 3.181 -2.866 1.139 1.00 0.00 H new ATOM 0 HB ILE A 61 4.836 -4.531 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.450 -2.109 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.853 -3.234 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.346 -3.745 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.941 -3.507 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.970 -2.123 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.084 -3.774 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.960 -5.090 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.551 -3.948 -2.197 1.00 0.00 H new ATOM 969 N ASN A 62 5.047 -4.361 2.754 1.00 0.00 N ATOM 970 CA ASN A 62 5.425 -4.997 4.031 1.00 0.00 C ATOM 971 C ASN A 62 6.015 -4.046 5.075 1.00 0.00 C ATOM 972 O ASN A 62 5.564 -4.066 6.224 1.00 0.00 O ATOM 973 CB ASN A 62 6.397 -6.168 3.797 1.00 0.00 C ATOM 974 CG ASN A 62 6.895 -6.741 5.123 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.217 -7.556 5.731 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.062 -6.338 5.613 1.00 0.00 N ATOM 0 H ASN A 62 5.027 -5.036 1.990 1.00 0.00 H new ATOM 0 HA ASN A 62 4.484 -5.358 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.899 -6.950 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.245 -5.828 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.397 -6.709 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.623 -5.658 5.100 1.00 0.00 H new ATOM 983 N GLY A 63 7.023 -3.266 4.679 1.00 0.00 N ATOM 984 CA GLY A 63 7.396 -2.036 5.361 1.00 0.00 C ATOM 985 C GLY A 63 7.776 -0.923 4.377 1.00 0.00 C ATOM 986 O GLY A 63 7.651 0.250 4.720 1.00 0.00 O ATOM 0 H GLY A 63 7.605 -3.477 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.566 -1.701 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.236 -2.232 6.028 1.00 0.00 H new ATOM 990 N ASP A 64 8.265 -1.242 3.171 1.00 0.00 N ATOM 991 CA ASP A 64 8.973 -0.254 2.354 1.00 0.00 C ATOM 992 C ASP A 64 8.041 0.512 1.424 1.00 0.00 C ATOM 993 O ASP A 64 7.145 -0.060 0.791 1.00 0.00 O ATOM 994 CB ASP A 64 10.116 -0.909 1.569 1.00 0.00 C ATOM 995 CG ASP A 64 11.356 -0.986 2.450 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.462 -1.915 3.290 1.00 0.00 O ATOM 997 OD2 ASP A 64 12.196 -0.068 2.377 1.00 0.00 O ATOM 0 H ASP A 64 8.184 -2.166 2.746 1.00 0.00 H new ATOM 0 HA ASP A 64 9.399 0.476 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.824 -1.908 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.331 -0.333 0.669 1.00 0.00 H new ATOM 1002 N VAL A 65 8.301 1.808 1.289 1.00 0.00 N ATOM 1003 CA VAL A 65 7.569 2.774 0.477 1.00 0.00 C ATOM 1004 C VAL A 65 7.980 2.587 -0.990 1.00 0.00 C ATOM 1005 O VAL A 65 9.139 2.253 -1.248 1.00 0.00 O ATOM 1006 CB VAL A 65 7.930 4.182 0.998 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.208 5.317 0.256 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.750 4.361 2.517 1.00 0.00 C ATOM 0 H VAL A 65 9.084 2.242 1.778 1.00 0.00 H new ATOM 0 HA VAL A 65 6.490 2.636 0.543 1.00 0.00 H new ATOM 0 HB VAL A 65 8.996 4.256 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.510 6.276 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.470 5.285 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.130 5.196 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.025 5.377 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.709 4.180 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.388 3.653 3.045 1.00 0.00 H new ATOM 1018 N GLU A 66 7.074 2.825 -1.948 1.00 0.00 N ATOM 1019 CA GLU A 66 7.329 2.786 -3.391 1.00 0.00 C ATOM 1020 C GLU A 66 6.040 3.152 -4.148 1.00 0.00 C ATOM 1021 O GLU A 66 4.937 2.973 -3.633 1.00 0.00 O ATOM 1022 CB GLU A 66 7.753 1.354 -3.788 1.00 0.00 C ATOM 1023 CG GLU A 66 8.111 1.121 -5.258 1.00 0.00 C ATOM 1024 CD GLU A 66 9.310 1.966 -5.658 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.138 3.190 -5.836 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.423 1.393 -5.738 1.00 0.00 O ATOM 0 H GLU A 66 6.106 3.059 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 66 8.118 3.495 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.614 1.074 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.942 0.675 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.332 0.066 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.258 1.369 -5.889 1.00 0.00 H new ATOM 1033 N PHE A 67 6.145 3.563 -5.410 1.00 0.00 N ATOM 1034 CA PHE A 67 5.045 3.531 -6.375 1.00 0.00 C ATOM 1035 C PHE A 67 5.580 2.883 -7.644 1.00 0.00 C ATOM 1036 O PHE A 67 6.759 3.043 -7.957 1.00 0.00 O ATOM 1037 CB PHE A 67 4.455 4.927 -6.622 1.00 0.00 C ATOM 1038 CG PHE A 67 5.217 5.946 -7.458 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.597 6.187 -7.284 1.00 0.00 C ATOM 1040 CD2 PHE A 67 4.491 6.750 -8.361 1.00 0.00 C ATOM 1041 CE1 PHE A 67 7.231 7.221 -7.994 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.122 7.788 -9.064 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.494 8.029 -8.876 1.00 0.00 C ATOM 0 H PHE A 67 7.012 3.934 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 67 4.212 2.945 -5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.481 4.787 -7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.276 5.379 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.168 5.574 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.438 6.565 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.289 7.395 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.554 8.401 -9.748 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.980 8.833 -9.408 1.00 0.00 H new ATOM 1053 N ILE A 68 4.744 2.145 -8.375 1.00 0.00 N ATOM 1054 CA ILE A 68 5.151 1.497 -9.615 1.00 0.00 C ATOM 1055 C ILE A 68 4.174 1.978 -10.683 1.00 0.00 C ATOM 1056 O ILE A 68 3.134 1.354 -10.910 1.00 0.00 O ATOM 1057 CB ILE A 68 5.249 -0.046 -9.490 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.074 -0.563 -8.288 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.777 -0.587 -10.835 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.590 -0.562 -8.479 1.00 0.00 C ATOM 0 H ILE A 68 3.769 1.982 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 68 6.168 1.776 -9.890 1.00 0.00 H new ATOM 0 HB ILE A 68 4.251 -0.427 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.835 0.047 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.755 -1.580 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.859 -1.673 -10.784 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.088 -0.313 -11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.758 -0.158 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.071 -0.943 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.851 -1.198 -9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.932 0.455 -8.670 1.00 0.00 H new ATOM 1072 N GLY A 69 4.508 3.103 -11.314 1.00 0.00 N ATOM 1073 CA GLY A 69 3.739 3.635 -12.422 1.00 0.00 C ATOM 1074 C GLY A 69 2.472 4.359 -11.959 1.00 0.00 C ATOM 1075 O GLY A 69 2.334 4.740 -10.798 1.00 0.00 O ATOM 0 H GLY A 69 5.321 3.667 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.360 4.325 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.464 2.822 -13.094 1.00 0.00 H new ATOM 1079 N ALA A 70 1.567 4.601 -12.914 1.00 0.00 N ATOM 1080 CA ALA A 70 0.244 5.176 -12.691 1.00 0.00 C ATOM 1081 C ALA A 70 -0.805 4.258 -12.017 1.00 0.00 C ATOM 1082 O ALA A 70 -1.779 4.818 -11.493 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.301 5.686 -14.032 1.00 0.00 C ATOM 0 H ALA A 70 1.746 4.393 -13.896 1.00 0.00 H new ATOM 0 HA ALA A 70 0.398 5.977 -11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.290 6.119 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.371 6.445 -14.433 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.371 4.856 -14.735 1.00 0.00 H new ATOM 1089 N PRO A 71 -0.741 2.904 -12.035 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.553 2.094 -11.120 1.00 0.00 C ATOM 1091 C PRO A 71 -1.119 2.323 -9.664 1.00 0.00 C ATOM 1092 O PRO A 71 -0.173 3.056 -9.400 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.417 0.641 -11.585 1.00 0.00 C ATOM 1094 CG PRO A 71 -0.092 0.629 -12.332 1.00 0.00 C ATOM 1095 CD PRO A 71 0.011 2.026 -12.928 1.00 0.00 C ATOM 0 HA PRO A 71 -2.606 2.376 -11.143 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.409 -0.051 -10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.244 0.347 -12.231 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.742 0.419 -11.662 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.078 -0.137 -13.107 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.051 2.343 -13.001 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.401 2.051 -13.937 1.00 0.00 H new ATOM 1103 N THR A 72 -1.795 1.704 -8.690 1.00 0.00 N ATOM 1104 CA THR A 72 -1.201 1.511 -7.366 1.00 0.00 C ATOM 1105 C THR A 72 -0.084 0.458 -7.512 1.00 0.00 C ATOM 1106 O THR A 72 0.419 0.236 -8.615 1.00 0.00 O ATOM 1107 CB THR A 72 -2.304 1.112 -6.371 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.975 -0.034 -6.832 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.316 2.236 -6.136 1.00 0.00 C ATOM 0 H THR A 72 -2.740 1.334 -8.792 1.00 0.00 H new ATOM 0 HA THR A 72 -0.753 2.422 -6.970 1.00 0.00 H new ATOM 0 HB THR A 72 -1.815 0.905 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.675 -0.283 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.073 1.902 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.803 3.110 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.795 2.498 -7.080 1.00 0.00 H new ATOM 1117 N LYS A 73 0.361 -0.215 -6.444 1.00 0.00 N ATOM 1118 CA LYS A 73 1.551 -1.067 -6.531 1.00 0.00 C ATOM 1119 C LYS A 73 1.269 -2.412 -7.213 1.00 0.00 C ATOM 1120 O LYS A 73 1.994 -3.359 -6.953 1.00 0.00 O ATOM 1121 CB LYS A 73 2.173 -1.255 -5.139 1.00 0.00 C ATOM 1122 CG LYS A 73 3.669 -1.591 -5.221 1.00 0.00 C ATOM 1123 CD LYS A 73 4.566 -0.418 -4.825 1.00 0.00 C ATOM 1124 CE LYS A 73 4.672 -0.315 -3.302 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.705 -1.231 -2.776 1.00 0.00 N ATOM 0 H LYS A 73 -0.077 -0.187 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 73 2.273 -0.556 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.037 -0.345 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.650 -2.053 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.882 -2.440 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.911 -1.900 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.558 -0.549 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.162 0.510 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.913 0.710 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.708 -0.552 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.887 -1.011 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.373 -2.213 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.583 -1.114 -3.322 1.00 0.00 H new ATOM 1139 N GLU A 74 0.233 -2.524 -8.040 1.00 0.00 N ATOM 1140 CA GLU A 74 -0.265 -3.733 -8.696 1.00 0.00 C ATOM 1141 C GLU A 74 0.869 -4.586 -9.302 1.00 0.00 C ATOM 1142 O GLU A 74 0.861 -5.810 -9.157 1.00 0.00 O ATOM 1143 CB GLU A 74 -1.358 -3.317 -9.707 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.619 -2.829 -8.953 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.664 -2.058 -9.776 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.550 -1.921 -11.010 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -4.652 -1.572 -9.170 1.00 0.00 O ATOM 0 H GLU A 74 -0.325 -1.708 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.717 -4.399 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.983 -2.525 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.612 -4.161 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.108 -3.697 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.297 -2.191 -8.130 1.00 0.00 H new ATOM 1154 N ALA A 75 1.899 -3.953 -9.874 1.00 0.00 N ATOM 1155 CA ALA A 75 3.138 -4.600 -10.289 1.00 0.00 C ATOM 1156 C ALA A 75 3.750 -5.428 -9.152 1.00 0.00 C ATOM 1157 O ALA A 75 3.839 -6.650 -9.267 1.00 0.00 O ATOM 1158 CB ALA A 75 4.128 -3.534 -10.763 1.00 0.00 C ATOM 0 H ALA A 75 1.889 -2.951 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 75 2.914 -5.286 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.056 -4.013 -11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.701 -2.989 -11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.333 -2.840 -9.948 1.00 0.00 H new ATOM 1164 N LEU A 76 4.207 -4.778 -8.074 1.00 0.00 N ATOM 1165 CA LEU A 76 4.791 -5.487 -6.931 1.00 0.00 C ATOM 1166 C LEU A 76 3.736 -6.295 -6.168 1.00 0.00 C ATOM 1167 O LEU A 76 4.096 -7.267 -5.518 1.00 0.00 O ATOM 1168 CB LEU A 76 5.539 -4.513 -5.997 1.00 0.00 C ATOM 1169 CG LEU A 76 6.778 -5.047 -5.240 1.00 0.00 C ATOM 1170 CD1 LEU A 76 6.483 -6.008 -4.087 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.868 -5.616 -6.149 1.00 0.00 C ATOM 0 H LEU A 76 4.183 -3.764 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 76 5.519 -6.197 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.854 -3.655 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.828 -4.145 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 76 7.168 -4.138 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.420 -6.321 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.863 -5.506 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.956 -6.883 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.701 -5.969 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.463 -6.447 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.218 -4.838 -6.828 1.00 0.00 H new ATOM 1183 N VAL A 77 2.444 -5.965 -6.241 1.00 0.00 N ATOM 1184 CA VAL A 77 1.391 -6.761 -5.614 1.00 0.00 C ATOM 1185 C VAL A 77 1.411 -8.164 -6.226 1.00 0.00 C ATOM 1186 O VAL A 77 1.381 -9.142 -5.482 1.00 0.00 O ATOM 1187 CB VAL A 77 0.025 -6.019 -5.625 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -1.074 -6.595 -6.535 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.516 -5.917 -4.191 1.00 0.00 C ATOM 0 H VAL A 77 2.101 -5.141 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 77 1.576 -6.895 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 77 0.258 -5.046 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.974 -5.986 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.730 -6.590 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.298 -7.618 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.474 -5.397 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.651 -6.918 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.192 -5.364 -3.574 1.00 0.00 H new ATOM 1199 N GLU A 78 1.625 -8.283 -7.542 1.00 0.00 N ATOM 1200 CA GLU A 78 1.839 -9.573 -8.193 1.00 0.00 C ATOM 1201 C GLU A 78 3.101 -10.314 -7.698 1.00 0.00 C ATOM 1202 O GLU A 78 3.287 -11.478 -8.048 1.00 0.00 O ATOM 1203 CB GLU A 78 1.828 -9.387 -9.719 1.00 0.00 C ATOM 1204 CG GLU A 78 1.834 -10.729 -10.465 1.00 0.00 C ATOM 1205 CD GLU A 78 1.146 -10.636 -11.819 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -0.108 -10.620 -11.845 1.00 0.00 O ATOM 1207 OE2 GLU A 78 1.839 -10.609 -12.862 1.00 0.00 O ATOM 0 H GLU A 78 1.654 -7.488 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 78 1.013 -10.226 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.945 -8.816 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.698 -8.802 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.863 -11.061 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.335 -11.483 -9.857 1.00 0.00 H new ATOM 1214 N ALA A 79 3.958 -9.705 -6.871 1.00 0.00 N ATOM 1215 CA ALA A 79 5.091 -10.352 -6.213 1.00 0.00 C ATOM 1216 C ALA A 79 4.821 -10.634 -4.724 1.00 0.00 C ATOM 1217 O ALA A 79 5.163 -11.725 -4.256 1.00 0.00 O ATOM 1218 CB ALA A 79 6.364 -9.534 -6.437 1.00 0.00 C ATOM 0 H ALA A 79 3.876 -8.716 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 79 5.237 -11.331 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.203 -10.024 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.565 -9.460 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.232 -8.535 -6.022 1.00 0.00 H new ATOM 1224 N ILE A 80 4.131 -9.739 -3.993 1.00 0.00 N ATOM 1225 CA ILE A 80 3.697 -10.039 -2.629 1.00 0.00 C ATOM 1226 C ILE A 80 2.854 -11.328 -2.654 1.00 0.00 C ATOM 1227 O ILE A 80 3.072 -12.221 -1.849 1.00 0.00 O ATOM 1228 CB ILE A 80 3.033 -8.823 -1.906 1.00 0.00 C ATOM 1229 CG1 ILE A 80 1.495 -8.701 -2.087 1.00 0.00 C ATOM 1230 CG2 ILE A 80 3.712 -7.484 -2.233 1.00 0.00 C ATOM 1231 CD1 ILE A 80 0.697 -9.491 -1.047 1.00 0.00 C ATOM 0 H ILE A 80 3.867 -8.812 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 80 4.568 -10.228 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 80 3.197 -9.052 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.212 -7.650 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.225 -9.050 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.205 -6.679 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.757 -7.521 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.657 -7.300 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.369 -9.362 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.952 -10.548 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.939 -9.126 -0.049 1.00 0.00 H new ATOM 1243 N LYS A 81 1.951 -11.499 -3.627 1.00 0.00 N ATOM 1244 CA LYS A 81 1.214 -12.759 -3.771 1.00 0.00 C ATOM 1245 C LYS A 81 2.047 -13.901 -4.346 1.00 0.00 C ATOM 1246 O LYS A 81 1.583 -15.041 -4.308 1.00 0.00 O ATOM 1247 CB LYS A 81 -0.049 -12.547 -4.610 1.00 0.00 C ATOM 1248 CG LYS A 81 0.221 -11.904 -5.980 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.265 -12.705 -7.182 1.00 0.00 C ATOM 1250 CE LYS A 81 0.677 -13.854 -7.538 1.00 0.00 C ATOM 1251 NZ LYS A 81 0.118 -14.696 -8.611 1.00 0.00 N ATOM 0 H LYS A 81 1.715 -10.788 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 81 0.941 -13.063 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.541 -13.508 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.743 -11.917 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.253 -10.923 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.294 -11.742 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.257 -13.105 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.364 -12.041 -8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.640 -13.452 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.860 -14.464 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.782 -15.467 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.789 -15.098 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.033 -14.118 -9.462 1.00 0.00 H new ATOM 1265 N LYS A 82 3.213 -13.631 -4.945 1.00 0.00 N ATOM 1266 CA LYS A 82 4.055 -14.687 -5.497 1.00 0.00 C ATOM 1267 C LYS A 82 4.763 -15.391 -4.351 1.00 0.00 C ATOM 1268 O LYS A 82 4.672 -16.616 -4.287 1.00 0.00 O ATOM 1269 CB LYS A 82 4.966 -14.197 -6.646 1.00 0.00 C ATOM 1270 CG LYS A 82 6.427 -13.804 -6.334 1.00 0.00 C ATOM 1271 CD LYS A 82 7.385 -14.992 -6.463 1.00 0.00 C ATOM 1272 CE LYS A 82 7.872 -15.050 -7.918 1.00 0.00 C ATOM 1273 NZ LYS A 82 8.280 -16.399 -8.339 1.00 0.00 N ATOM 0 H LYS A 82 3.590 -12.690 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 82 3.438 -15.432 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.992 -14.982 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.484 -13.332 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.741 -13.011 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.485 -13.400 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.229 -14.877 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.881 -15.920 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.077 -14.696 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.714 -14.368 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.598 -16.372 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.058 -16.731 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.473 -17.049 -8.252 1.00 0.00 H new ATOM 1287 N ARG A 83 5.459 -14.675 -3.457 1.00 0.00 N ATOM 1288 CA ARG A 83 6.057 -15.326 -2.280 1.00 0.00 C ATOM 1289 C ARG A 83 6.360 -14.331 -1.157 1.00 0.00 C ATOM 1290 O ARG A 83 7.459 -14.376 -0.598 1.00 0.00 O ATOM 1291 CB ARG A 83 7.302 -16.171 -2.676 1.00 0.00 C ATOM 1292 CG ARG A 83 7.537 -17.342 -1.693 1.00 0.00 C ATOM 1293 CD ARG A 83 8.887 -17.318 -0.963 1.00 0.00 C ATOM 1294 NE ARG A 83 10.007 -17.671 -1.848 1.00 0.00 N ATOM 1295 CZ ARG A 83 11.154 -17.006 -2.035 1.00 0.00 C ATOM 1296 NH1 ARG A 83 11.422 -15.866 -1.413 1.00 0.00 N ATOM 1297 NH2 ARG A 83 12.045 -17.514 -2.872 1.00 0.00 N ATOM 0 H ARG A 83 5.620 -13.670 -3.521 1.00 0.00 H new ATOM 0 HA ARG A 83 5.314 -16.015 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.169 -16.564 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.184 -15.531 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.740 -17.338 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.455 -18.280 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.055 -16.325 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.856 -18.014 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 83 9.896 -18.530 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.743 -15.466 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.308 -15.389 -1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.849 -18.391 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.927 -17.029 -3.034 1.00 0.00 H new