USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 43 THR OG1 : rot -52:sc= 1.1 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 175:sc= 0.0196 (180deg=0.0173) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 6 HIS : no HE2:sc= -8.22! C(o=-8.2!,f=-6.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 14 MET CE :methyl -131:sc= -6.6! (180deg=-12.5!) USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.276 USER MOD Single : A 17 HIS : no HE2:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0144) USER MOD Single : A 31 ASN : amide:sc= -0.446 K(o=-0.45,f=1.1) USER MOD Single : A 34 THR OG1 : rot -161:sc= -5.4! USER MOD Single : A 36 CYS SG : rot 83:sc= -9.25! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -145:sc= 1.4 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0289) USER MOD Single : A 61 MET CE :methyl -158:sc= -16.2! (180deg=-19.1!) USER MOD Single : A 66 GLN : amide:sc= -5.69! C(o=-5.7!,f=-5.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.123 7.169 5.721 1.00 0.00 N ATOM 2 CA PRO A 1 -2.120 6.416 4.428 1.00 0.00 C ATOM 3 C PRO A 1 -2.814 5.065 4.618 1.00 0.00 C ATOM 4 O PRO A 1 -3.618 4.651 3.805 1.00 0.00 O ATOM 5 CB PRO A 1 -0.668 6.199 4.006 1.00 0.00 C ATOM 6 CG PRO A 1 0.215 6.843 5.066 1.00 0.00 C ATOM 7 CD PRO A 1 -0.710 7.463 6.112 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.584 6.621 6.448 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.650 8.037 5.623 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.653 6.978 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.449 5.135 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.482 6.644 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.870 6.101 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.857 7.604 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.496 7.053 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.548 8.539 6.172 1.00 0.00 H new ATOM 17 N ILE A 2 -2.513 4.375 5.684 1.00 0.00 N ATOM 18 CA ILE A 2 -3.160 3.054 5.922 1.00 0.00 C ATOM 19 C ILE A 2 -4.620 3.272 6.323 1.00 0.00 C ATOM 20 O ILE A 2 -5.528 2.737 5.718 1.00 0.00 O ATOM 21 CB ILE A 2 -2.427 2.322 7.051 1.00 0.00 C ATOM 22 CG1 ILE A 2 -0.918 2.557 6.922 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.719 0.822 6.962 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.483 2.320 5.475 1.00 0.00 C ATOM 0 H ILE A 2 -1.848 4.669 6.399 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.115 2.456 5.012 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.772 2.703 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.671 3.575 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.377 1.886 7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.197 0.302 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.792 0.654 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.376 0.441 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.590 2.488 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.715 1.294 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.014 3.009 4.818 1.00 0.00 H new ATOM 36 N SER A 3 -4.849 4.054 7.341 1.00 0.00 N ATOM 37 CA SER A 3 -6.247 4.309 7.785 1.00 0.00 C ATOM 38 C SER A 3 -7.076 4.813 6.600 1.00 0.00 C ATOM 39 O SER A 3 -8.233 4.476 6.456 1.00 0.00 O ATOM 40 CB SER A 3 -6.245 5.360 8.894 1.00 0.00 C ATOM 41 OG SER A 3 -6.003 6.642 8.328 1.00 0.00 O ATOM 0 H SER A 3 -4.128 4.528 7.885 1.00 0.00 H new ATOM 0 HA SER A 3 -6.683 3.385 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.202 5.355 9.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.478 5.125 9.632 1.00 0.00 H new ATOM 0 HG SER A 3 -6.003 7.318 9.037 1.00 0.00 H new ATOM 47 N GLN A 4 -6.493 5.614 5.747 1.00 0.00 N ATOM 48 CA GLN A 4 -7.255 6.127 4.572 1.00 0.00 C ATOM 49 C GLN A 4 -7.746 4.941 3.744 1.00 0.00 C ATOM 50 O GLN A 4 -8.936 4.735 3.572 1.00 0.00 O ATOM 51 CB GLN A 4 -6.347 7.016 3.719 1.00 0.00 C ATOM 52 CG GLN A 4 -6.332 8.431 4.299 1.00 0.00 C ATOM 53 CD GLN A 4 -5.592 9.369 3.344 1.00 0.00 C ATOM 54 OE1 GLN A 4 -4.383 9.312 3.232 1.00 0.00 O ATOM 55 NE2 GLN A 4 -6.270 10.238 2.646 1.00 0.00 N ATOM 0 H GLN A 4 -5.527 5.934 5.813 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.108 6.715 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.336 6.609 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.703 7.037 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.352 8.783 4.453 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.845 8.430 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.285 10.287 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.786 10.869 2.007 1.00 0.00 H new ATOM 64 N VAL A 5 -6.843 4.144 3.240 1.00 0.00 N ATOM 65 CA VAL A 5 -7.281 2.969 2.447 1.00 0.00 C ATOM 66 C VAL A 5 -8.307 2.214 3.273 1.00 0.00 C ATOM 67 O VAL A 5 -9.462 2.173 2.936 1.00 0.00 O ATOM 68 CB VAL A 5 -6.093 2.051 2.149 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.526 0.908 1.224 1.00 0.00 C ATOM 70 CG2 VAL A 5 -4.970 2.849 1.485 1.00 0.00 C ATOM 0 H VAL A 5 -5.834 4.256 3.343 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.706 3.297 1.498 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.732 1.632 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.672 0.262 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.313 0.328 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.902 1.320 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.128 2.188 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.333 3.280 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.647 3.648 2.153 1.00 0.00 H new ATOM 80 N HIS A 6 -7.894 1.637 4.367 1.00 0.00 N ATOM 81 CA HIS A 6 -8.846 0.896 5.233 1.00 0.00 C ATOM 82 C HIS A 6 -10.211 1.591 5.226 1.00 0.00 C ATOM 83 O HIS A 6 -11.246 0.952 5.267 1.00 0.00 O ATOM 84 CB HIS A 6 -8.305 0.894 6.660 1.00 0.00 C ATOM 85 CG HIS A 6 -7.179 -0.093 6.783 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.386 -1.463 6.750 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.826 0.078 6.952 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.187 -2.058 6.895 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.202 -1.164 7.022 1.00 0.00 N ATOM 0 H HIS A 6 -6.930 1.649 4.699 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.958 -0.122 4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.955 1.892 6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.101 0.638 7.359 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.283 -1.935 6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.323 1.031 7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.039 -3.128 6.907 1.00 0.00 H new ATOM 97 N GLU A 7 -10.217 2.899 5.172 1.00 0.00 N ATOM 98 CA GLU A 7 -11.509 3.639 5.179 1.00 0.00 C ATOM 99 C GLU A 7 -12.259 3.410 3.862 1.00 0.00 C ATOM 100 O GLU A 7 -13.419 3.060 3.864 1.00 0.00 O ATOM 101 CB GLU A 7 -11.230 5.140 5.437 1.00 0.00 C ATOM 102 CG GLU A 7 -11.491 6.006 4.193 1.00 0.00 C ATOM 103 CD GLU A 7 -12.996 6.098 3.930 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.754 5.666 4.782 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.364 6.599 2.880 1.00 0.00 O ATOM 0 H GLU A 7 -9.382 3.483 5.123 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.150 3.268 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.858 5.488 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.194 5.265 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.077 7.003 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.987 5.576 3.327 1.00 0.00 H new ATOM 112 N ILE A 8 -11.617 3.599 2.744 1.00 0.00 N ATOM 113 CA ILE A 8 -12.338 3.386 1.443 1.00 0.00 C ATOM 114 C ILE A 8 -12.507 1.880 1.196 1.00 0.00 C ATOM 115 O ILE A 8 -13.579 1.410 0.874 1.00 0.00 O ATOM 116 CB ILE A 8 -11.583 4.072 0.266 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.463 3.128 -0.951 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.186 4.526 0.697 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.283 2.158 -0.778 1.00 0.00 C ATOM 0 H ILE A 8 -10.642 3.887 2.666 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.324 3.846 1.502 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.168 4.945 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.388 2.564 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.327 3.715 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.682 5.001 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.272 5.238 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.608 3.662 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.219 1.504 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.357 2.725 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.435 1.556 0.118 1.00 0.00 H new ATOM 131 N GLY A 9 -11.458 1.129 1.341 1.00 0.00 N ATOM 132 CA GLY A 9 -11.541 -0.331 1.114 1.00 0.00 C ATOM 133 C GLY A 9 -12.715 -0.908 1.901 1.00 0.00 C ATOM 134 O GLY A 9 -13.534 -1.626 1.366 1.00 0.00 O ATOM 0 H GLY A 9 -10.535 1.471 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.667 -0.537 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.612 -0.810 1.424 1.00 0.00 H new ATOM 138 N ILE A 10 -12.809 -0.616 3.170 1.00 0.00 N ATOM 139 CA ILE A 10 -13.943 -1.179 3.955 1.00 0.00 C ATOM 140 C ILE A 10 -15.261 -0.532 3.502 1.00 0.00 C ATOM 141 O ILE A 10 -16.251 -1.206 3.294 1.00 0.00 O ATOM 142 CB ILE A 10 -13.695 -0.935 5.456 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.260 -2.252 6.085 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.968 -0.443 6.162 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.337 -3.302 5.813 1.00 0.00 C ATOM 0 H ILE A 10 -12.162 -0.023 3.689 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.015 -2.253 3.784 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.928 -0.169 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.305 -2.573 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.114 -2.129 7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.758 -0.281 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.297 0.493 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.754 -1.191 6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.040 -4.252 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.281 -2.976 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.459 -3.428 4.737 1.00 0.00 H new ATOM 157 N LYS A 11 -15.288 0.764 3.366 1.00 0.00 N ATOM 158 CA LYS A 11 -16.549 1.439 2.946 1.00 0.00 C ATOM 159 C LYS A 11 -16.925 1.013 1.528 1.00 0.00 C ATOM 160 O LYS A 11 -18.007 1.292 1.051 1.00 0.00 O ATOM 161 CB LYS A 11 -16.343 2.952 2.968 1.00 0.00 C ATOM 162 CG LYS A 11 -17.211 3.578 4.062 1.00 0.00 C ATOM 163 CD LYS A 11 -16.512 3.439 5.416 1.00 0.00 C ATOM 164 CE LYS A 11 -17.556 3.199 6.507 1.00 0.00 C ATOM 165 NZ LYS A 11 -18.191 4.495 6.882 1.00 0.00 N ATOM 0 H LYS A 11 -14.494 1.384 3.527 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.347 1.158 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.293 3.183 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.601 3.377 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.390 4.630 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.184 3.089 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.803 2.611 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.941 4.341 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.313 2.500 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.087 2.745 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.901 4.332 7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.464 5.148 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.652 4.910 6.047 1.00 0.00 H new ATOM 179 N ARG A 12 -16.037 0.351 0.845 1.00 0.00 N ATOM 180 CA ARG A 12 -16.348 -0.079 -0.550 1.00 0.00 C ATOM 181 C ARG A 12 -16.247 -1.599 -0.663 1.00 0.00 C ATOM 182 O ARG A 12 -16.307 -2.154 -1.743 1.00 0.00 O ATOM 183 CB ARG A 12 -15.355 0.571 -1.517 1.00 0.00 C ATOM 184 CG ARG A 12 -15.871 0.428 -2.950 1.00 0.00 C ATOM 185 CD ARG A 12 -14.814 0.942 -3.932 1.00 0.00 C ATOM 186 NE ARG A 12 -15.154 2.328 -4.375 1.00 0.00 N ATOM 187 CZ ARG A 12 -16.396 2.667 -4.591 1.00 0.00 C ATOM 188 NH1 ARG A 12 -17.098 2.033 -5.491 1.00 0.00 N ATOM 189 NH2 ARG A 12 -16.937 3.637 -3.908 1.00 0.00 N ATOM 0 H ARG A 12 -15.113 0.088 1.187 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.362 0.231 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.226 1.625 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.377 0.099 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.101 -0.616 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.798 0.989 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.832 0.934 -3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.757 0.280 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.411 3.014 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.676 1.273 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.068 2.297 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.390 4.132 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.908 3.901 -4.078 1.00 0.00 H new ATOM 203 N ASN A 13 -16.085 -2.275 0.442 1.00 0.00 N ATOM 204 CA ASN A 13 -15.973 -3.762 0.406 1.00 0.00 C ATOM 205 C ASN A 13 -14.547 -4.160 0.013 1.00 0.00 C ATOM 206 O ASN A 13 -14.163 -5.309 0.126 1.00 0.00 O ATOM 207 CB ASN A 13 -16.967 -4.334 -0.608 1.00 0.00 C ATOM 208 CG ASN A 13 -17.702 -5.521 0.016 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.084 -6.425 0.543 1.00 0.00 O ATOM 210 ND2 ASN A 13 -19.006 -5.560 -0.021 1.00 0.00 N ATOM 0 H ASN A 13 -16.025 -1.860 1.372 1.00 0.00 H new ATOM 0 HA ASN A 13 -16.201 -4.163 1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.681 -3.566 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.442 -4.650 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.505 -6.348 0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.527 -4.802 -0.463 1.00 0.00 H new ATOM 217 N MET A 14 -13.753 -3.226 -0.441 1.00 0.00 N ATOM 218 CA MET A 14 -12.359 -3.562 -0.828 1.00 0.00 C ATOM 219 C MET A 14 -11.532 -3.797 0.437 1.00 0.00 C ATOM 220 O MET A 14 -11.199 -2.877 1.158 1.00 0.00 O ATOM 221 CB MET A 14 -11.762 -2.410 -1.638 1.00 0.00 C ATOM 222 CG MET A 14 -11.920 -2.708 -3.130 1.00 0.00 C ATOM 223 SD MET A 14 -11.486 -1.237 -4.091 1.00 0.00 S ATOM 224 CE MET A 14 -10.825 -2.105 -5.536 1.00 0.00 C ATOM 0 H MET A 14 -14.013 -2.247 -0.559 1.00 0.00 H new ATOM 0 HA MET A 14 -12.351 -4.465 -1.438 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.263 -1.475 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.708 -2.283 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.279 -3.543 -3.414 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.946 -3.006 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.854 -1.686 -5.799 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.712 -3.164 -5.304 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.510 -1.988 -6.376 1.00 0.00 H new ATOM 234 N THR A 15 -11.206 -5.028 0.712 1.00 0.00 N ATOM 235 CA THR A 15 -10.411 -5.340 1.931 1.00 0.00 C ATOM 236 C THR A 15 -9.055 -4.646 1.859 1.00 0.00 C ATOM 237 O THR A 15 -8.409 -4.648 0.839 1.00 0.00 O ATOM 238 CB THR A 15 -10.205 -6.853 2.030 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.671 -7.479 0.843 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.993 -7.374 3.228 1.00 0.00 C ATOM 0 H THR A 15 -11.457 -5.836 0.142 1.00 0.00 H new ATOM 0 HA THR A 15 -10.948 -4.984 2.810 1.00 0.00 H new ATOM 0 HB THR A 15 -9.145 -7.077 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.976 -7.431 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.856 -8.452 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.635 -6.891 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.051 -7.152 3.092 1.00 0.00 H new ATOM 248 N VAL A 16 -8.617 -4.055 2.937 1.00 0.00 N ATOM 249 CA VAL A 16 -7.295 -3.364 2.924 1.00 0.00 C ATOM 250 C VAL A 16 -6.306 -4.140 3.790 1.00 0.00 C ATOM 251 O VAL A 16 -6.435 -4.192 4.998 1.00 0.00 O ATOM 252 CB VAL A 16 -7.446 -1.949 3.488 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.062 -1.318 3.667 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.272 -1.103 2.520 1.00 0.00 C ATOM 0 H VAL A 16 -9.116 -4.020 3.826 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.929 -3.313 1.899 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.950 -1.994 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.171 -0.311 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.473 -1.922 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.556 -1.272 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.381 -0.095 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.768 -1.058 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.257 -1.552 2.394 1.00 0.00 H new ATOM 264 N HIS A 17 -5.310 -4.734 3.193 1.00 0.00 N ATOM 265 CA HIS A 17 -4.311 -5.491 4.018 1.00 0.00 C ATOM 266 C HIS A 17 -2.895 -5.079 3.616 1.00 0.00 C ATOM 267 O HIS A 17 -2.390 -5.473 2.587 1.00 0.00 O ATOM 268 CB HIS A 17 -4.484 -6.999 3.816 1.00 0.00 C ATOM 269 CG HIS A 17 -5.905 -7.391 4.125 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.219 -8.263 5.156 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.108 -7.039 3.556 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.556 -8.405 5.176 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.146 -7.681 4.223 1.00 0.00 N ATOM 0 H HIS A 17 -5.141 -4.732 2.187 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.475 -5.256 5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.237 -7.269 2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.797 -7.544 4.463 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.556 -8.715 5.785 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.228 -6.367 2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.088 -9.030 5.878 1.00 0.00 H new ATOM 281 N PHE A 18 -2.255 -4.274 4.418 1.00 0.00 N ATOM 282 CA PHE A 18 -0.879 -3.815 4.076 1.00 0.00 C ATOM 283 C PHE A 18 0.167 -4.767 4.660 1.00 0.00 C ATOM 284 O PHE A 18 0.083 -5.180 5.800 1.00 0.00 O ATOM 285 CB PHE A 18 -0.658 -2.419 4.658 1.00 0.00 C ATOM 286 CG PHE A 18 -1.360 -1.384 3.809 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.600 -1.669 3.214 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.773 -0.127 3.627 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.243 -0.700 2.442 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.421 0.842 2.856 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.657 0.552 2.263 1.00 0.00 C ATOM 0 H PHE A 18 -2.626 -3.913 5.297 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.775 -3.797 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.035 -2.379 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.409 -2.200 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.056 -2.638 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.181 0.094 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.195 -0.921 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.970 1.813 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.157 1.300 1.666 1.00 0.00 H new ATOM 301 N LYS A 19 1.163 -5.100 3.886 1.00 0.00 N ATOM 302 CA LYS A 19 2.236 -6.000 4.379 1.00 0.00 C ATOM 303 C LYS A 19 3.532 -5.642 3.653 1.00 0.00 C ATOM 304 O LYS A 19 3.670 -5.880 2.472 1.00 0.00 O ATOM 305 CB LYS A 19 1.866 -7.457 4.085 1.00 0.00 C ATOM 306 CG LYS A 19 2.776 -8.386 4.891 1.00 0.00 C ATOM 307 CD LYS A 19 3.015 -9.677 4.103 1.00 0.00 C ATOM 308 CE LYS A 19 2.362 -10.852 4.835 1.00 0.00 C ATOM 309 NZ LYS A 19 0.880 -10.730 4.746 1.00 0.00 N ATOM 0 H LYS A 19 1.278 -4.782 2.924 1.00 0.00 H new ATOM 0 HA LYS A 19 2.361 -5.881 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.823 -7.638 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.971 -7.662 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.726 -7.893 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.319 -8.614 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.600 -9.585 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.085 -9.854 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.687 -11.795 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.675 -10.863 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.436 -11.562 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.572 -9.871 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.596 -10.672 3.747 1.00 0.00 H new ATOM 323 N VAL A 20 4.482 -5.070 4.337 1.00 0.00 N ATOM 324 CA VAL A 20 5.753 -4.704 3.656 1.00 0.00 C ATOM 325 C VAL A 20 6.587 -5.967 3.484 1.00 0.00 C ATOM 326 O VAL A 20 6.868 -6.684 4.424 1.00 0.00 O ATOM 327 CB VAL A 20 6.497 -3.659 4.488 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.892 -3.432 3.905 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.708 -2.345 4.446 1.00 0.00 C ATOM 0 H VAL A 20 4.434 -4.842 5.330 1.00 0.00 H new ATOM 0 HA VAL A 20 5.555 -4.272 2.675 1.00 0.00 H new ATOM 0 HB VAL A 20 6.593 -4.007 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.419 -2.687 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.449 -4.369 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.804 -3.079 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.227 -1.590 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.623 -2.004 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.712 -2.505 4.858 1.00 0.00 H new ATOM 339 N LEU A 21 6.939 -6.259 2.266 1.00 0.00 N ATOM 340 CA LEU A 21 7.709 -7.498 1.974 1.00 0.00 C ATOM 341 C LEU A 21 9.157 -7.155 1.632 1.00 0.00 C ATOM 342 O LEU A 21 10.014 -8.016 1.601 1.00 0.00 O ATOM 343 CB LEU A 21 7.076 -8.217 0.773 1.00 0.00 C ATOM 344 CG LEU A 21 5.643 -7.729 0.546 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.075 -8.396 -0.707 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.778 -8.096 1.755 1.00 0.00 C ATOM 0 H LEU A 21 6.724 -5.686 1.450 1.00 0.00 H new ATOM 0 HA LEU A 21 7.689 -8.140 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.673 -8.037 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.076 -9.293 0.945 1.00 0.00 H new ATOM 0 HG LEU A 21 5.643 -6.647 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.054 -8.051 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.690 -8.135 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.075 -9.478 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.758 -7.748 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.776 -9.178 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.184 -7.624 2.650 1.00 0.00 H new ATOM 358 N ARG A 22 9.442 -5.915 1.356 1.00 0.00 N ATOM 359 CA ARG A 22 10.844 -5.555 0.995 1.00 0.00 C ATOM 360 C ARG A 22 11.392 -4.492 1.948 1.00 0.00 C ATOM 361 O ARG A 22 10.667 -3.662 2.460 1.00 0.00 O ATOM 362 CB ARG A 22 10.879 -5.019 -0.435 1.00 0.00 C ATOM 363 CG ARG A 22 11.999 -5.712 -1.214 1.00 0.00 C ATOM 364 CD ARG A 22 12.688 -4.696 -2.128 1.00 0.00 C ATOM 365 NE ARG A 22 12.945 -5.317 -3.460 1.00 0.00 N ATOM 366 CZ ARG A 22 13.291 -6.574 -3.542 1.00 0.00 C ATOM 367 NH1 ARG A 22 13.985 -7.123 -2.582 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.944 -7.281 -4.582 1.00 0.00 N ATOM 0 H ARG A 22 8.776 -5.142 1.364 1.00 0.00 H new ATOM 0 HA ARG A 22 11.464 -6.448 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.920 -5.194 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.041 -3.941 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.722 -6.146 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.592 -6.532 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.062 -3.811 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.626 -4.367 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 22 12.850 -4.759 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.257 -6.570 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.256 -8.104 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.402 -6.852 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.215 -8.262 -4.645 1.00 0.00 H new ATOM 499 N ASN A 31 14.163 1.248 -0.340 1.00 0.00 N ATOM 500 CA ASN A 31 12.734 1.271 -0.756 1.00 0.00 C ATOM 501 C ASN A 31 11.979 0.166 -0.025 1.00 0.00 C ATOM 502 O ASN A 31 12.534 -0.561 0.775 1.00 0.00 O ATOM 503 CB ASN A 31 12.614 1.041 -2.261 1.00 0.00 C ATOM 504 CG ASN A 31 13.266 2.203 -3.014 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.334 2.656 -2.651 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.666 2.708 -4.056 1.00 0.00 N ATOM 0 HA ASN A 31 12.312 2.245 -0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.095 0.102 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.565 0.955 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.093 3.482 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.770 2.329 -4.362 1.00 0.00 H new ATOM 513 N PHE A 32 10.714 0.038 -0.297 1.00 0.00 N ATOM 514 CA PHE A 32 9.906 -1.010 0.371 1.00 0.00 C ATOM 515 C PHE A 32 8.743 -1.406 -0.536 1.00 0.00 C ATOM 516 O PHE A 32 7.910 -0.583 -0.884 1.00 0.00 O ATOM 517 CB PHE A 32 9.351 -0.464 1.689 1.00 0.00 C ATOM 518 CG PHE A 32 10.461 -0.349 2.707 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.352 0.730 2.655 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.594 -1.319 3.707 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.376 0.837 3.603 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.617 -1.211 4.655 1.00 0.00 C ATOM 523 CZ PHE A 32 12.509 -0.133 4.603 1.00 0.00 C ATOM 0 H PHE A 32 10.202 0.620 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 32 10.532 -1.880 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.894 0.512 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.568 -1.123 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.249 1.479 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.907 -2.151 3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.064 1.669 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.719 -1.959 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.299 -0.050 5.334 1.00 0.00 H new ATOM 533 N ILE A 33 8.649 -2.658 -0.891 1.00 0.00 N ATOM 534 CA ILE A 33 7.510 -3.096 -1.736 1.00 0.00 C ATOM 535 C ILE A 33 6.393 -3.490 -0.784 1.00 0.00 C ATOM 536 O ILE A 33 6.327 -4.606 -0.306 1.00 0.00 O ATOM 537 CB ILE A 33 7.900 -4.298 -2.596 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.356 -4.160 -3.054 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.983 -4.365 -3.820 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.449 -3.115 -4.166 1.00 0.00 C ATOM 0 H ILE A 33 9.310 -3.391 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 33 7.204 -2.296 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 33 7.795 -5.210 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.986 -3.868 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.727 -5.120 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.259 -5.221 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.948 -4.471 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.088 -3.450 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.485 -3.019 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.833 -3.426 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.095 -2.154 -3.793 1.00 0.00 H new ATOM 552 N THR A 34 5.540 -2.568 -0.475 1.00 0.00 N ATOM 553 CA THR A 34 4.449 -2.858 0.483 1.00 0.00 C ATOM 554 C THR A 34 3.244 -3.427 -0.257 1.00 0.00 C ATOM 555 O THR A 34 2.564 -2.741 -0.993 1.00 0.00 O ATOM 556 CB THR A 34 4.063 -1.559 1.199 1.00 0.00 C ATOM 557 OG1 THR A 34 5.138 -1.150 2.033 1.00 0.00 O ATOM 558 CG2 THR A 34 2.813 -1.779 2.052 1.00 0.00 C ATOM 0 H THR A 34 5.550 -1.618 -0.847 1.00 0.00 H new ATOM 0 HA THR A 34 4.785 -3.594 1.214 1.00 0.00 H new ATOM 0 HB THR A 34 3.854 -0.789 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.808 -0.518 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.548 -0.849 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.988 -2.094 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.011 -2.551 2.795 1.00 0.00 H new ATOM 566 N ALA A 35 2.982 -4.690 -0.055 1.00 0.00 N ATOM 567 CA ALA A 35 1.824 -5.334 -0.726 1.00 0.00 C ATOM 568 C ALA A 35 0.550 -4.930 0.006 1.00 0.00 C ATOM 569 O ALA A 35 0.410 -5.157 1.187 1.00 0.00 O ATOM 570 CB ALA A 35 1.992 -6.842 -0.639 1.00 0.00 C ATOM 0 H ALA A 35 3.526 -5.305 0.551 1.00 0.00 H new ATOM 0 HA ALA A 35 1.767 -5.024 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.149 -7.331 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.918 -7.134 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.030 -7.144 0.408 1.00 0.00 H new ATOM 576 N CYS A 36 -0.385 -4.328 -0.672 1.00 0.00 N ATOM 577 CA CYS A 36 -1.628 -3.915 0.029 1.00 0.00 C ATOM 578 C CYS A 36 -2.820 -4.493 -0.722 1.00 0.00 C ATOM 579 O CYS A 36 -3.099 -4.121 -1.839 1.00 0.00 O ATOM 580 CB CYS A 36 -1.722 -2.377 0.094 1.00 0.00 C ATOM 581 SG CYS A 36 -0.448 -1.604 -0.945 1.00 0.00 S ATOM 0 H CYS A 36 -0.344 -4.107 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.620 -4.291 1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.710 -2.055 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.606 -2.045 1.126 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.860 -1.561 -2.177 1.00 0.00 H new ATOM 587 N ILE A 37 -3.509 -5.429 -0.129 1.00 0.00 N ATOM 588 CA ILE A 37 -4.657 -6.059 -0.830 1.00 0.00 C ATOM 589 C ILE A 37 -5.884 -5.157 -0.780 1.00 0.00 C ATOM 590 O ILE A 37 -6.217 -4.598 0.253 1.00 0.00 O ATOM 591 CB ILE A 37 -4.988 -7.406 -0.168 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.821 -8.264 -1.120 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.795 -7.180 1.105 1.00 0.00 C ATOM 594 CD1 ILE A 37 -7.177 -7.602 -1.364 1.00 0.00 C ATOM 0 H ILE A 37 -3.325 -5.783 0.810 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.381 -6.215 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.052 -7.911 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.293 -8.391 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.963 -9.259 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.024 -8.141 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.215 -6.573 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.724 -6.664 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.766 -8.218 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.707 -7.498 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.027 -6.617 -1.806 1.00 0.00 H new ATOM 606 N VAL A 38 -6.555 -5.056 -1.905 1.00 0.00 N ATOM 607 CA VAL A 38 -7.797 -4.251 -2.022 1.00 0.00 C ATOM 608 C VAL A 38 -8.877 -5.166 -2.626 1.00 0.00 C ATOM 609 O VAL A 38 -8.671 -5.787 -3.651 1.00 0.00 O ATOM 610 CB VAL A 38 -7.530 -3.036 -2.933 1.00 0.00 C ATOM 611 CG1 VAL A 38 -8.592 -2.924 -4.033 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.549 -1.764 -2.084 1.00 0.00 C ATOM 0 H VAL A 38 -6.276 -5.517 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.127 -3.877 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.557 -3.165 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.377 -2.058 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.579 -3.826 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.576 -2.808 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.361 -0.899 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.524 -1.659 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.776 -1.826 -1.318 1.00 0.00 H new ATOM 622 N GLY A 39 -10.016 -5.261 -2.004 1.00 0.00 N ATOM 623 CA GLY A 39 -11.090 -6.140 -2.551 1.00 0.00 C ATOM 624 C GLY A 39 -10.534 -7.546 -2.796 1.00 0.00 C ATOM 625 O GLY A 39 -10.109 -8.223 -1.881 1.00 0.00 O ATOM 0 H GLY A 39 -10.252 -4.770 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.926 -6.186 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.475 -5.724 -3.482 1.00 0.00 H new ATOM 629 N SER A 40 -10.539 -7.993 -4.024 1.00 0.00 N ATOM 630 CA SER A 40 -10.017 -9.359 -4.323 1.00 0.00 C ATOM 631 C SER A 40 -8.714 -9.255 -5.121 1.00 0.00 C ATOM 632 O SER A 40 -8.117 -10.251 -5.480 1.00 0.00 O ATOM 633 CB SER A 40 -11.052 -10.130 -5.143 1.00 0.00 C ATOM 634 OG SER A 40 -11.099 -9.598 -6.460 1.00 0.00 O ATOM 0 H SER A 40 -10.881 -7.472 -4.832 1.00 0.00 H new ATOM 0 HA SER A 40 -9.825 -9.882 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.793 -11.188 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.033 -10.056 -4.674 1.00 0.00 H new ATOM 0 HG SER A 40 -11.760 -10.091 -6.989 1.00 0.00 H new ATOM 640 N ILE A 41 -8.268 -8.063 -5.400 1.00 0.00 N ATOM 641 CA ILE A 41 -7.004 -7.904 -6.174 1.00 0.00 C ATOM 642 C ILE A 41 -5.965 -7.213 -5.292 1.00 0.00 C ATOM 643 O ILE A 41 -6.257 -6.236 -4.631 1.00 0.00 O ATOM 644 CB ILE A 41 -7.270 -7.051 -7.415 1.00 0.00 C ATOM 645 CG1 ILE A 41 -8.308 -7.748 -8.299 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.971 -6.869 -8.200 1.00 0.00 C ATOM 647 CD1 ILE A 41 -9.399 -6.750 -8.692 1.00 0.00 C ATOM 0 H ILE A 41 -8.723 -7.192 -5.126 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.634 -8.882 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.648 -6.075 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.829 -8.150 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.747 -8.591 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.162 -6.261 -9.084 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.232 -6.372 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.591 -7.844 -8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.137 -7.247 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.885 -6.370 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.953 -5.921 -9.242 1.00 0.00 H new ATOM 659 N VAL A 42 -4.756 -7.706 -5.262 1.00 0.00 N ATOM 660 CA VAL A 42 -3.733 -7.053 -4.401 1.00 0.00 C ATOM 661 C VAL A 42 -2.870 -6.107 -5.216 1.00 0.00 C ATOM 662 O VAL A 42 -2.499 -6.378 -6.341 1.00 0.00 O ATOM 663 CB VAL A 42 -2.806 -8.087 -3.764 1.00 0.00 C ATOM 664 CG1 VAL A 42 -2.339 -7.577 -2.401 1.00 0.00 C ATOM 665 CG2 VAL A 42 -3.539 -9.421 -3.603 1.00 0.00 C ATOM 0 H VAL A 42 -4.437 -8.520 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.273 -6.508 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.940 -8.241 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.677 -8.313 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.803 -6.637 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.203 -7.417 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.870 -10.151 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.412 -9.282 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.858 -9.781 -4.581 1.00 0.00 H new ATOM 675 N THR A 43 -2.516 -5.016 -4.620 1.00 0.00 N ATOM 676 CA THR A 43 -1.628 -4.041 -5.301 1.00 0.00 C ATOM 677 C THR A 43 -0.569 -3.579 -4.296 1.00 0.00 C ATOM 678 O THR A 43 -0.864 -2.929 -3.311 1.00 0.00 O ATOM 679 CB THR A 43 -2.420 -2.827 -5.827 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.015 -1.656 -5.134 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.925 -3.035 -5.639 1.00 0.00 C ATOM 0 H THR A 43 -2.805 -4.751 -3.678 1.00 0.00 H new ATOM 0 HA THR A 43 -1.161 -4.521 -6.161 1.00 0.00 H new ATOM 0 HB THR A 43 -2.214 -2.717 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.067 -1.813 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.463 -2.166 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.241 -3.923 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.145 -3.164 -4.579 1.00 0.00 H new ATOM 689 N GLU A 44 0.662 -3.925 -4.521 1.00 0.00 N ATOM 690 CA GLU A 44 1.724 -3.501 -3.570 1.00 0.00 C ATOM 691 C GLU A 44 2.179 -2.093 -3.927 1.00 0.00 C ATOM 692 O GLU A 44 1.578 -1.422 -4.743 1.00 0.00 O ATOM 693 CB GLU A 44 2.917 -4.453 -3.652 1.00 0.00 C ATOM 694 CG GLU A 44 3.479 -4.449 -5.076 1.00 0.00 C ATOM 695 CD GLU A 44 3.644 -5.890 -5.564 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.469 -6.593 -5.006 1.00 0.00 O ATOM 697 OE2 GLU A 44 2.941 -6.265 -6.488 1.00 0.00 O ATOM 0 H GLU A 44 0.980 -4.479 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 44 1.325 -3.520 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.688 -4.148 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.611 -5.461 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.810 -3.903 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.440 -3.934 -5.098 1.00 0.00 H new ATOM 704 N GLY A 45 3.235 -1.637 -3.324 1.00 0.00 N ATOM 705 CA GLY A 45 3.723 -0.262 -3.638 1.00 0.00 C ATOM 706 C GLY A 45 5.177 -0.120 -3.207 1.00 0.00 C ATOM 707 O GLY A 45 5.484 -0.068 -2.038 1.00 0.00 O ATOM 0 H GLY A 45 3.782 -2.149 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.630 -0.068 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.108 0.478 -3.126 1.00 0.00 H new ATOM 711 N GLU A 46 6.076 -0.057 -4.144 1.00 0.00 N ATOM 712 CA GLU A 46 7.508 0.070 -3.783 1.00 0.00 C ATOM 713 C GLU A 46 7.818 1.513 -3.388 1.00 0.00 C ATOM 714 O GLU A 46 8.368 2.275 -4.158 1.00 0.00 O ATOM 715 CB GLU A 46 8.352 -0.327 -4.989 1.00 0.00 C ATOM 716 CG GLU A 46 7.915 0.480 -6.213 1.00 0.00 C ATOM 717 CD GLU A 46 7.625 -0.471 -7.375 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.340 -1.627 -7.112 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.692 -0.026 -8.509 1.00 0.00 O ATOM 0 H GLU A 46 5.880 -0.088 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 46 7.736 -0.581 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.407 -0.148 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.242 -1.393 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.026 1.065 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.696 1.186 -6.494 1.00 0.00 H new ATOM 726 N GLY A 47 7.478 1.890 -2.185 1.00 0.00 N ATOM 727 CA GLY A 47 7.765 3.281 -1.733 1.00 0.00 C ATOM 728 C GLY A 47 9.192 3.339 -1.194 1.00 0.00 C ATOM 729 O GLY A 47 9.622 2.459 -0.486 1.00 0.00 O ATOM 0 H GLY A 47 7.015 1.296 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.646 3.979 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.057 3.580 -0.960 1.00 0.00 H new ATOM 798 N VAL A 52 7.374 7.047 3.165 1.00 0.00 N ATOM 799 CA VAL A 52 7.074 6.842 1.723 1.00 0.00 C ATOM 800 C VAL A 52 6.664 5.378 1.491 1.00 0.00 C ATOM 801 O VAL A 52 5.894 5.073 0.607 1.00 0.00 O ATOM 802 CB VAL A 52 8.331 7.187 0.902 1.00 0.00 C ATOM 803 CG1 VAL A 52 9.054 5.914 0.447 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.923 8.000 -0.326 1.00 0.00 C ATOM 0 HA VAL A 52 6.253 7.487 1.410 1.00 0.00 H new ATOM 0 HB VAL A 52 9.008 7.766 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.938 6.184 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.354 5.334 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.385 5.317 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.810 8.247 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.236 7.415 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.432 8.919 -0.007 1.00 0.00 H new ATOM 814 N SER A 53 7.203 4.477 2.267 1.00 0.00 N ATOM 815 CA SER A 53 6.873 3.035 2.086 1.00 0.00 C ATOM 816 C SER A 53 5.364 2.818 2.215 1.00 0.00 C ATOM 817 O SER A 53 4.661 2.701 1.234 1.00 0.00 O ATOM 818 CB SER A 53 7.597 2.214 3.154 1.00 0.00 C ATOM 819 OG SER A 53 9.000 2.379 3.000 1.00 0.00 O ATOM 0 H SER A 53 7.860 4.679 3.021 1.00 0.00 H new ATOM 0 HA SER A 53 7.193 2.718 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.288 2.536 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.331 1.161 3.063 1.00 0.00 H new ATOM 0 HG SER A 53 9.455 1.542 3.229 1.00 0.00 H new ATOM 825 N LYS A 54 4.867 2.745 3.417 1.00 0.00 N ATOM 826 CA LYS A 54 3.407 2.519 3.614 1.00 0.00 C ATOM 827 C LYS A 54 2.598 3.526 2.789 1.00 0.00 C ATOM 828 O LYS A 54 1.733 3.155 2.024 1.00 0.00 O ATOM 829 CB LYS A 54 3.062 2.676 5.098 1.00 0.00 C ATOM 830 CG LYS A 54 3.620 4.003 5.618 1.00 0.00 C ATOM 831 CD LYS A 54 3.982 3.861 7.097 1.00 0.00 C ATOM 832 CE LYS A 54 4.931 4.989 7.503 1.00 0.00 C ATOM 833 NZ LYS A 54 6.019 4.440 8.360 1.00 0.00 N ATOM 0 H LYS A 54 5.410 2.832 4.276 1.00 0.00 H new ATOM 0 HA LYS A 54 3.156 1.511 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.981 2.646 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.479 1.846 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.501 4.289 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.883 4.795 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.080 3.894 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.453 2.894 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.355 5.459 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.384 5.762 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.664 5.208 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.606 4.011 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.547 3.717 7.830 1.00 0.00 H new ATOM 847 N LYS A 55 2.861 4.797 2.937 1.00 0.00 N ATOM 848 CA LYS A 55 2.092 5.811 2.158 1.00 0.00 C ATOM 849 C LYS A 55 2.150 5.467 0.669 1.00 0.00 C ATOM 850 O LYS A 55 1.245 5.765 -0.087 1.00 0.00 O ATOM 851 CB LYS A 55 2.698 7.198 2.381 1.00 0.00 C ATOM 852 CG LYS A 55 2.062 8.196 1.410 1.00 0.00 C ATOM 853 CD LYS A 55 2.296 9.622 1.915 1.00 0.00 C ATOM 854 CE LYS A 55 3.798 9.907 1.959 1.00 0.00 C ATOM 855 NZ LYS A 55 4.291 10.183 0.580 1.00 0.00 N ATOM 0 H LYS A 55 3.573 5.176 3.562 1.00 0.00 H new ATOM 0 HA LYS A 55 1.054 5.809 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.531 7.518 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.777 7.164 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.492 8.076 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.993 8.002 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.798 10.337 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.863 9.743 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.998 10.761 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.329 9.054 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.283 10.492 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.222 9.318 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.713 10.932 0.148 1.00 0.00 H new ATOM 869 N ARG A 56 3.210 4.842 0.245 1.00 0.00 N ATOM 870 CA ARG A 56 3.339 4.474 -1.192 1.00 0.00 C ATOM 871 C ARG A 56 2.422 3.292 -1.499 1.00 0.00 C ATOM 872 O ARG A 56 1.721 3.281 -2.490 1.00 0.00 O ATOM 873 CB ARG A 56 4.787 4.084 -1.493 1.00 0.00 C ATOM 874 CG ARG A 56 4.869 3.463 -2.888 1.00 0.00 C ATOM 875 CD ARG A 56 4.152 4.370 -3.893 1.00 0.00 C ATOM 876 NE ARG A 56 4.800 4.254 -5.233 1.00 0.00 N ATOM 877 CZ ARG A 56 6.096 4.137 -5.329 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.873 4.838 -4.550 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.615 3.318 -6.203 1.00 0.00 N ATOM 0 H ARG A 56 3.997 4.568 0.834 1.00 0.00 H new ATOM 0 HA ARG A 56 3.056 5.326 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.431 4.962 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.147 3.376 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.911 3.332 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.412 2.473 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.101 4.091 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.186 5.404 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 56 4.227 4.266 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.467 5.477 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.886 4.747 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.007 2.769 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.628 3.227 -6.278 1.00 0.00 H new ATOM 893 N ALA A 57 2.418 2.296 -0.656 1.00 0.00 N ATOM 894 CA ALA A 57 1.544 1.125 -0.907 1.00 0.00 C ATOM 895 C ALA A 57 0.083 1.602 -0.934 1.00 0.00 C ATOM 896 O ALA A 57 -0.627 1.416 -1.903 1.00 0.00 O ATOM 897 CB ALA A 57 1.728 0.079 0.204 1.00 0.00 C ATOM 0 H ALA A 57 2.982 2.246 0.192 1.00 0.00 H new ATOM 0 HA ALA A 57 1.807 0.667 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.081 -0.776 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.767 -0.249 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.466 0.520 1.166 1.00 0.00 H new ATOM 903 N ALA A 58 -0.365 2.222 0.132 1.00 0.00 N ATOM 904 CA ALA A 58 -1.775 2.721 0.192 1.00 0.00 C ATOM 905 C ALA A 58 -2.066 3.626 -1.003 1.00 0.00 C ATOM 906 O ALA A 58 -3.069 3.465 -1.677 1.00 0.00 O ATOM 907 CB ALA A 58 -1.991 3.510 1.487 1.00 0.00 C ATOM 0 H ALA A 58 0.190 2.405 0.968 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.450 1.865 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.019 3.871 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.801 2.863 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.307 4.358 1.515 1.00 0.00 H new ATOM 913 N GLU A 59 -1.212 4.572 -1.288 1.00 0.00 N ATOM 914 CA GLU A 59 -1.481 5.444 -2.460 1.00 0.00 C ATOM 915 C GLU A 59 -1.699 4.529 -3.653 1.00 0.00 C ATOM 916 O GLU A 59 -2.556 4.750 -4.475 1.00 0.00 O ATOM 917 CB GLU A 59 -0.287 6.362 -2.736 1.00 0.00 C ATOM 918 CG GLU A 59 -0.396 7.620 -1.872 1.00 0.00 C ATOM 919 CD GLU A 59 -1.031 8.748 -2.689 1.00 0.00 C ATOM 920 OE1 GLU A 59 -2.246 8.855 -2.667 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.291 9.484 -3.321 1.00 0.00 O ATOM 0 H GLU A 59 -0.357 4.774 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.352 6.072 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.644 5.839 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.261 6.634 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.998 7.415 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.592 7.921 -1.523 1.00 0.00 H new ATOM 928 N LYS A 60 -0.929 3.483 -3.730 1.00 0.00 N ATOM 929 CA LYS A 60 -1.082 2.519 -4.847 1.00 0.00 C ATOM 930 C LYS A 60 -2.488 1.917 -4.787 1.00 0.00 C ATOM 931 O LYS A 60 -3.117 1.674 -5.796 1.00 0.00 O ATOM 932 CB LYS A 60 -0.035 1.412 -4.693 1.00 0.00 C ATOM 933 CG LYS A 60 0.852 1.372 -5.939 1.00 0.00 C ATOM 934 CD LYS A 60 0.034 0.862 -7.128 1.00 0.00 C ATOM 935 CE LYS A 60 0.929 0.027 -8.045 1.00 0.00 C ATOM 936 NZ LYS A 60 0.591 -1.415 -7.889 1.00 0.00 N ATOM 0 H LYS A 60 -0.194 3.254 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.941 3.019 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.573 1.592 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.526 0.449 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.244 2.367 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.710 0.722 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.804 0.261 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.387 1.702 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.792 0.334 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.978 0.195 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.139 -1.976 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.823 -1.723 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.425 -1.554 -8.062 1.00 0.00 H new ATOM 950 N MET A 61 -2.975 1.672 -3.602 1.00 0.00 N ATOM 951 CA MET A 61 -4.338 1.082 -3.444 1.00 0.00 C ATOM 952 C MET A 61 -5.419 2.092 -3.830 1.00 0.00 C ATOM 953 O MET A 61 -6.086 1.955 -4.836 1.00 0.00 O ATOM 954 CB MET A 61 -4.544 0.686 -1.984 1.00 0.00 C ATOM 955 CG MET A 61 -3.339 -0.109 -1.504 1.00 0.00 C ATOM 956 SD MET A 61 -3.077 -1.496 -2.629 1.00 0.00 S ATOM 957 CE MET A 61 -4.717 -2.221 -2.447 1.00 0.00 C ATOM 0 H MET A 61 -2.484 1.856 -2.727 1.00 0.00 H new ATOM 0 HA MET A 61 -4.415 0.213 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.675 1.576 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.451 0.091 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.454 0.527 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.505 -0.471 -0.489 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.682 -3.274 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.042 -2.130 -1.411 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.420 -1.698 -3.095 1.00 0.00 H new ATOM 967 N LEU A 62 -5.618 3.094 -3.020 1.00 0.00 N ATOM 968 CA LEU A 62 -6.679 4.093 -3.326 1.00 0.00 C ATOM 969 C LEU A 62 -6.525 4.557 -4.773 1.00 0.00 C ATOM 970 O LEU A 62 -7.467 4.561 -5.539 1.00 0.00 O ATOM 971 CB LEU A 62 -6.559 5.269 -2.361 1.00 0.00 C ATOM 972 CG LEU A 62 -6.637 4.796 -0.887 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.490 5.786 -0.104 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.283 3.400 -0.728 1.00 0.00 C ATOM 0 H LEU A 62 -5.094 3.264 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.666 3.646 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.615 5.786 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.355 5.987 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.613 4.738 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.555 5.467 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.036 6.776 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.491 5.824 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.307 3.128 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.300 3.423 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.698 2.664 -1.279 1.00 0.00 H new ATOM 986 N VAL A 63 -5.339 4.918 -5.163 1.00 0.00 N ATOM 987 CA VAL A 63 -5.122 5.348 -6.570 1.00 0.00 C ATOM 988 C VAL A 63 -5.499 4.186 -7.492 1.00 0.00 C ATOM 989 O VAL A 63 -6.061 4.372 -8.554 1.00 0.00 O ATOM 990 CB VAL A 63 -3.647 5.700 -6.768 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.380 5.972 -8.242 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.299 6.945 -5.949 1.00 0.00 C ATOM 0 H VAL A 63 -4.510 4.934 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.733 6.221 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.031 4.864 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.328 6.223 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.621 5.084 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.999 6.805 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.247 7.193 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.917 7.781 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.485 6.749 -4.893 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.189 2.985 -7.083 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.518 1.789 -7.914 1.00 0.00 C ATOM 1004 C GLU A 64 -7.017 1.766 -8.231 1.00 0.00 C ATOM 1005 O GLU A 64 -7.415 1.796 -9.378 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.148 0.516 -7.148 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.882 -0.095 -7.755 1.00 0.00 C ATOM 1008 CD GLU A 64 -4.226 -0.770 -9.084 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.819 -0.112 -9.923 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -3.892 -1.932 -9.241 1.00 0.00 O ATOM 0 H GLU A 64 -4.718 2.779 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.953 1.839 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.985 0.747 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.968 -0.200 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.131 0.679 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.451 -0.822 -7.067 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.854 1.693 -7.229 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.324 1.644 -7.499 1.00 0.00 C ATOM 1019 C LEU A 65 -9.777 2.908 -8.235 1.00 0.00 C ATOM 1020 O LEU A 65 -10.672 2.865 -9.054 1.00 0.00 O ATOM 1021 CB LEU A 65 -10.125 1.513 -6.197 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.354 2.123 -5.029 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.337 2.761 -4.046 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.571 1.021 -4.323 1.00 0.00 C ATOM 0 H LEU A 65 -7.588 1.665 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.511 0.768 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.088 2.012 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.331 0.462 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.668 2.886 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.787 3.197 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.904 3.541 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.022 2.000 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.017 1.447 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.262 0.264 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.874 0.563 -5.025 1.00 0.00 H new ATOM 1036 N GLN A 66 -9.183 4.038 -7.954 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.616 5.283 -8.652 1.00 0.00 C ATOM 1038 C GLN A 66 -9.295 5.175 -10.144 1.00 0.00 C ATOM 1039 O GLN A 66 -9.963 5.760 -10.974 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.893 6.500 -8.058 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.315 6.733 -6.594 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.693 6.185 -6.320 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -11.648 6.486 -7.009 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -10.824 5.381 -5.319 1.00 0.00 N ATOM 0 H GLN A 66 -8.426 4.152 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.691 5.408 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.815 6.348 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.119 7.387 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.595 6.259 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.297 7.801 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.013 5.138 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.739 4.988 -5.097 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.282 4.431 -10.494 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.929 4.289 -11.936 1.00 0.00 C ATOM 1055 C LYS A 67 -8.994 3.447 -12.639 1.00 0.00 C ATOM 1056 O LYS A 67 -9.259 3.617 -13.813 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.569 3.601 -12.064 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.593 4.531 -12.789 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.181 4.319 -12.241 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.191 5.172 -13.035 1.00 0.00 C ATOM 1061 NZ LYS A 67 -1.895 4.449 -13.155 1.00 0.00 N ATOM 0 H LYS A 67 -7.685 3.917 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.881 5.275 -12.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.182 3.349 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.673 2.666 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.612 4.331 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.895 5.569 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.145 4.589 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.907 3.266 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.593 5.387 -14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.040 6.130 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.222 5.030 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.510 4.266 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.046 3.546 -13.648 1.00 0.00 H new ATOM 1075 N LEU A 68 -9.607 2.541 -11.929 1.00 0.00 N ATOM 1076 CA LEU A 68 -10.653 1.687 -12.549 1.00 0.00 C ATOM 1077 C LEU A 68 -11.830 2.560 -12.987 1.00 0.00 C ATOM 1078 O LEU A 68 -11.828 2.995 -14.127 1.00 0.00 O ATOM 1079 CB LEU A 68 -11.130 0.659 -11.523 1.00 0.00 C ATOM 1080 CG LEU A 68 -9.920 -0.015 -10.873 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -10.390 -1.175 -9.996 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -8.988 -0.549 -11.965 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.714 2.779 -12.175 1.00 0.00 O ATOM 0 H LEU A 68 -9.426 2.356 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.243 1.174 -13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.741 1.145 -10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.759 -0.088 -12.007 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.387 0.711 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.527 -1.654 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.055 -0.798 -9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.923 -1.902 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.125 -1.030 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.523 -1.275 -12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.651 0.277 -12.592 1.00 0.00 H new