USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 783 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 40 LYS NZ :NH3+ -162:sc= 0.0759 (180deg=-0.0784) USER MOD Set 1.2: A 70 CYS SG : rot 160:sc= -0.561 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -65:sc= 1.22 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.209 (180deg=-0.882) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 89:sc= 0.765 USER MOD Single : A 41 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.6!) USER MOD Single : A 46 CYS SG : rot 59:sc= -1.96 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.722 K(o=-0.72,f=0) USER MOD Single : A 53 MET CE :methyl 157:sc=-0.00413 (180deg=-0.134) USER MOD Single : A 56 SER OG : rot 78:sc= -1.25 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc=-0.00392 (180deg=-0.175) USER MOD Single : A 61 CYS SG : rot 120:sc= -0.883 USER MOD Single : A 65 GLN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 66 THR OG1 : rot -52:sc= 0.75 USER MOD Single : A 72 ASN : amide:sc= -2.75! X(o=-2.8!,f=-2.6) USER MOD Single : A 73 ASN : amide:sc= -2.64 K(o=-2.6,f=-14!) USER MOD Single : A 75 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.0091) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot -101:sc= -4.58! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.47 K(o=0.47,f=-0.58) USER MOD Single : A 95 TYR OH : rot 156:sc= 0.00627 USER MOD Single : A 96 SER OG : rot -169:sc= 0.0495 USER MOD Single : A 99 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -129:sc= -0.781 (180deg=-2.46!) USER MOD Single : A 105 SER OG : rot 89:sc= 1.18 USER MOD Single : A 106 THR OG1 : rot -96:sc= 0.577 USER MOD Single : A 111 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0163 (180deg=-0.162) USER MOD Single : A 114 THR OG1 : rot 12:sc= 0.652 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.071 -2.315 -5.542 1.00 0.00 N ATOM 60 CA GLY A 7 -10.890 -2.583 -4.744 1.00 0.00 C ATOM 61 C GLY A 7 -10.349 -1.337 -4.071 1.00 0.00 C ATOM 62 O GLY A 7 -10.030 -1.354 -2.883 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.130 -3.327 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.116 -3.014 -5.379 1.00 0.00 H new ATOM 66 N GLU A 8 -10.244 -0.253 -4.834 1.00 0.00 N ATOM 67 CA GLU A 8 -9.736 1.007 -4.304 1.00 0.00 C ATOM 68 C GLU A 8 -10.260 1.255 -2.893 1.00 0.00 C ATOM 69 O GLU A 8 -9.485 1.382 -1.946 1.00 0.00 O ATOM 70 CB GLU A 8 -10.132 2.168 -5.219 1.00 0.00 C ATOM 71 CG GLU A 8 -9.608 2.031 -6.638 1.00 0.00 C ATOM 72 CD GLU A 8 -10.501 1.170 -7.510 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.737 1.244 -7.346 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.965 0.424 -8.355 1.00 0.00 O ATOM 0 H GLU A 8 -10.504 -0.222 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.649 0.942 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.219 2.242 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.760 3.099 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.516 3.021 -7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.607 1.599 -6.612 1.00 0.00 H new ATOM 81 N GLU A 9 -11.581 1.323 -2.762 1.00 0.00 N ATOM 82 CA GLU A 9 -12.209 1.557 -1.467 1.00 0.00 C ATOM 83 C GLU A 9 -11.785 0.495 -0.457 1.00 0.00 C ATOM 84 O GLU A 9 -11.453 0.808 0.686 1.00 0.00 O ATOM 85 CB GLU A 9 -13.733 1.564 -1.607 1.00 0.00 C ATOM 86 CG GLU A 9 -14.450 2.206 -0.431 1.00 0.00 C ATOM 87 CD GLU A 9 -15.837 2.699 -0.793 1.00 0.00 C ATOM 88 OE1 GLU A 9 -16.789 1.894 -0.730 1.00 0.00 O ATOM 89 OE2 GLU A 9 -15.970 3.892 -1.138 1.00 0.00 O ATOM 0 H GLU A 9 -12.237 1.219 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.881 2.531 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.003 2.095 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.084 0.538 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.526 1.484 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.856 3.042 -0.061 1.00 0.00 H new ATOM 96 N GLN A 10 -11.801 -0.763 -0.887 1.00 0.00 N ATOM 97 CA GLN A 10 -11.420 -1.871 -0.021 1.00 0.00 C ATOM 98 C GLN A 10 -10.043 -1.636 0.591 1.00 0.00 C ATOM 99 O GLN A 10 -9.823 -1.909 1.772 1.00 0.00 O ATOM 100 CB GLN A 10 -11.424 -3.185 -0.805 1.00 0.00 C ATOM 101 CG GLN A 10 -12.795 -3.835 -0.895 1.00 0.00 C ATOM 102 CD GLN A 10 -12.718 -5.325 -1.166 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.542 -6.126 -0.248 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.849 -5.704 -2.432 1.00 0.00 N ATOM 0 H GLN A 10 -12.074 -1.039 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.150 -1.935 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.053 -2.998 -1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.731 -3.882 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.335 -3.667 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.369 -3.355 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.994 -5.005 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.805 -6.694 -2.675 1.00 0.00 H new ATOM 113 N ILE A 11 -9.121 -1.127 -0.218 1.00 0.00 N ATOM 114 CA ILE A 11 -7.766 -0.854 0.245 1.00 0.00 C ATOM 115 C ILE A 11 -7.732 0.370 1.154 1.00 0.00 C ATOM 116 O ILE A 11 -7.090 0.358 2.205 1.00 0.00 O ATOM 117 CB ILE A 11 -6.802 -0.629 -0.936 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.967 -1.739 -1.975 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.365 -0.567 -0.442 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.217 -3.007 -1.629 1.00 0.00 C ATOM 0 H ILE A 11 -9.287 -0.895 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.442 -1.730 0.807 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.044 0.323 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.027 -1.971 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.621 -1.374 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.696 -0.408 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.258 0.256 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.109 -1.505 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.379 -3.750 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.152 -2.790 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.579 -3.396 -0.677 1.00 0.00 H new ATOM 132 N VAL A 12 -8.428 1.425 0.744 1.00 0.00 N ATOM 133 CA VAL A 12 -8.480 2.656 1.523 1.00 0.00 C ATOM 134 C VAL A 12 -8.919 2.381 2.957 1.00 0.00 C ATOM 135 O VAL A 12 -8.348 2.917 3.907 1.00 0.00 O ATOM 136 CB VAL A 12 -9.442 3.680 0.891 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.477 4.959 1.714 1.00 0.00 C ATOM 138 CG2 VAL A 12 -9.039 3.972 -0.546 1.00 0.00 C ATOM 0 H VAL A 12 -8.964 1.452 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.472 3.070 1.528 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.445 3.254 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.162 5.670 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.817 4.732 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.478 5.392 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.729 4.697 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.028 4.378 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.071 3.050 -1.127 1.00 0.00 H new ATOM 148 N THR A 13 -9.938 1.540 3.107 1.00 0.00 N ATOM 149 CA THR A 13 -10.454 1.193 4.425 1.00 0.00 C ATOM 150 C THR A 13 -9.613 0.101 5.076 1.00 0.00 C ATOM 151 O THR A 13 -9.476 0.056 6.298 1.00 0.00 O ATOM 152 CB THR A 13 -11.918 0.720 4.348 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.719 1.711 3.694 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.473 0.449 5.739 1.00 0.00 C ATOM 0 H THR A 13 -10.422 1.087 2.332 1.00 0.00 H new ATOM 0 HA THR A 13 -10.403 2.097 5.032 1.00 0.00 H new ATOM 0 HB THR A 13 -11.948 -0.207 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.648 1.402 3.647 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.508 0.116 5.659 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.879 -0.326 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.430 1.362 6.332 1.00 0.00 H new ATOM 162 N TRP A 14 -9.051 -0.775 4.252 1.00 0.00 N ATOM 163 CA TRP A 14 -8.221 -1.867 4.748 1.00 0.00 C ATOM 164 C TRP A 14 -6.994 -1.331 5.478 1.00 0.00 C ATOM 165 O TRP A 14 -6.753 -1.668 6.638 1.00 0.00 O ATOM 166 CB TRP A 14 -7.788 -2.772 3.593 1.00 0.00 C ATOM 167 CG TRP A 14 -6.843 -3.857 4.011 1.00 0.00 C ATOM 168 CD1 TRP A 14 -6.942 -4.648 5.120 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.655 -4.270 3.326 1.00 0.00 C ATOM 170 NE1 TRP A 14 -5.887 -5.528 5.166 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.084 -5.317 4.077 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.020 -3.859 2.152 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -3.908 -5.954 3.689 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.853 -4.492 1.769 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.307 -5.531 2.535 1.00 0.00 C ATOM 0 H TRP A 14 -9.155 -0.751 3.238 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.814 -2.449 5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.672 -3.224 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.314 -2.164 2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.733 -4.591 5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.728 -6.225 5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.434 -3.060 1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.485 -6.754 4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.353 -4.181 0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.394 -6.007 2.208 1.00 0.00 H new ATOM 186 N LEU A 15 -6.222 -0.496 4.792 1.00 0.00 N ATOM 187 CA LEU A 15 -5.019 0.088 5.376 1.00 0.00 C ATOM 188 C LEU A 15 -5.337 0.783 6.696 1.00 0.00 C ATOM 189 O LEU A 15 -4.727 0.491 7.725 1.00 0.00 O ATOM 190 CB LEU A 15 -4.387 1.083 4.401 1.00 0.00 C ATOM 191 CG LEU A 15 -4.085 0.551 3.000 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.776 1.696 2.049 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.928 -0.437 3.042 1.00 0.00 C ATOM 0 H LEU A 15 -6.407 -0.208 3.831 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.312 -0.718 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.053 1.941 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.457 1.448 4.837 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.969 0.029 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.564 1.298 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.634 2.366 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.908 2.247 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.727 -0.805 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.039 0.060 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.188 -1.274 3.690 1.00 0.00 H new ATOM 205 N ILE A 16 -6.295 1.702 6.659 1.00 0.00 N ATOM 206 CA ILE A 16 -6.696 2.436 7.853 1.00 0.00 C ATOM 207 C ILE A 16 -7.047 1.485 8.991 1.00 0.00 C ATOM 208 O ILE A 16 -6.450 1.540 10.067 1.00 0.00 O ATOM 209 CB ILE A 16 -7.903 3.351 7.573 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.576 4.332 6.445 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.303 4.100 8.835 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.782 5.092 5.938 1.00 0.00 C ATOM 0 H ILE A 16 -6.808 1.956 5.815 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.845 3.051 8.146 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.744 2.733 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.830 5.044 6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.127 3.784 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.157 4.743 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.572 3.385 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.467 4.710 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.477 5.769 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.521 4.388 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.219 5.667 6.754 1.00 0.00 H new ATOM 224 N SER A 17 -8.017 0.610 8.746 1.00 0.00 N ATOM 225 CA SER A 17 -8.449 -0.354 9.752 1.00 0.00 C ATOM 226 C SER A 17 -7.250 -0.958 10.476 1.00 0.00 C ATOM 227 O SER A 17 -7.278 -1.153 11.692 1.00 0.00 O ATOM 228 CB SER A 17 -9.279 -1.463 9.102 1.00 0.00 C ATOM 229 OG SER A 17 -8.449 -2.394 8.430 1.00 0.00 O ATOM 0 H SER A 17 -8.519 0.549 7.860 1.00 0.00 H new ATOM 0 HA SER A 17 -9.065 0.171 10.482 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.865 -1.977 9.864 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.986 -1.026 8.397 1.00 0.00 H new ATOM 0 HG SER A 17 -7.996 -1.949 7.683 1.00 0.00 H new ATOM 235 N LEU A 18 -6.198 -1.253 9.720 1.00 0.00 N ATOM 236 CA LEU A 18 -4.987 -1.835 10.289 1.00 0.00 C ATOM 237 C LEU A 18 -4.264 -0.828 11.178 1.00 0.00 C ATOM 238 O LEU A 18 -3.842 -1.154 12.286 1.00 0.00 O ATOM 239 CB LEU A 18 -4.054 -2.310 9.173 1.00 0.00 C ATOM 240 CG LEU A 18 -4.482 -3.579 8.435 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.668 -3.758 7.164 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.339 -4.796 9.338 1.00 0.00 C ATOM 0 H LEU A 18 -6.159 -1.099 8.712 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.276 -2.689 10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.954 -1.506 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.065 -2.478 9.600 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.531 -3.478 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.987 -4.666 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.822 -2.900 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.611 -3.836 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.648 -5.690 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.299 -4.900 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.968 -4.671 10.220 1.00 0.00 H new ATOM 254 N GLY A 19 -4.126 0.398 10.683 1.00 0.00 N ATOM 255 CA GLY A 19 -3.456 1.435 11.446 1.00 0.00 C ATOM 256 C GLY A 19 -2.205 1.945 10.758 1.00 0.00 C ATOM 257 O GLY A 19 -1.225 2.296 11.415 1.00 0.00 O ATOM 0 H GLY A 19 -4.466 0.692 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.143 2.266 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.193 1.046 12.429 1.00 0.00 H new ATOM 261 N VAL A 20 -2.237 1.984 9.430 1.00 0.00 N ATOM 262 CA VAL A 20 -1.097 2.454 8.651 1.00 0.00 C ATOM 263 C VAL A 20 -1.450 3.711 7.865 1.00 0.00 C ATOM 264 O VAL A 20 -0.580 4.525 7.552 1.00 0.00 O ATOM 265 CB VAL A 20 -0.602 1.372 7.673 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.137 0.138 8.431 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.694 1.015 6.676 1.00 0.00 C ATOM 0 H VAL A 20 -3.040 1.696 8.871 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.302 2.684 9.360 1.00 0.00 H new ATOM 0 HB VAL A 20 0.248 1.770 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.209 -0.615 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.679 0.409 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.966 -0.265 9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.327 0.249 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.565 0.637 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.974 1.903 6.109 1.00 0.00 H new ATOM 277 N LEU A 21 -2.731 3.865 7.549 1.00 0.00 N ATOM 278 CA LEU A 21 -3.200 5.025 6.799 1.00 0.00 C ATOM 279 C LEU A 21 -4.108 5.898 7.659 1.00 0.00 C ATOM 280 O LEU A 21 -4.717 5.423 8.617 1.00 0.00 O ATOM 281 CB LEU A 21 -3.948 4.576 5.542 1.00 0.00 C ATOM 282 CG LEU A 21 -4.474 5.692 4.640 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.322 6.435 3.981 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.418 5.128 3.588 1.00 0.00 C ATOM 0 H LEU A 21 -3.464 3.201 7.800 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.330 5.614 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.283 3.944 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.790 3.955 5.847 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.029 6.399 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.717 7.226 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.685 6.873 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.738 5.740 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.783 5.937 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.887 4.399 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.262 4.643 4.079 1.00 0.00 H new ATOM 296 N GLU A 22 -4.195 7.178 7.309 1.00 0.00 N ATOM 297 CA GLU A 22 -5.030 8.117 8.049 1.00 0.00 C ATOM 298 C GLU A 22 -6.510 7.807 7.844 1.00 0.00 C ATOM 299 O GLU A 22 -6.903 7.252 6.818 1.00 0.00 O ATOM 300 CB GLU A 22 -4.732 9.553 7.610 1.00 0.00 C ATOM 301 CG GLU A 22 -3.633 10.221 8.419 1.00 0.00 C ATOM 302 CD GLU A 22 -3.742 11.733 8.412 1.00 0.00 C ATOM 303 OE1 GLU A 22 -3.430 12.346 7.370 1.00 0.00 O ATOM 304 OE2 GLU A 22 -4.138 12.304 9.450 1.00 0.00 O ATOM 0 H GLU A 22 -3.698 7.588 6.518 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.799 8.013 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.447 9.551 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.643 10.146 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.674 9.862 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.663 9.928 8.018 1.00 0.00 H new ATOM 436 N PRO A 31 -11.048 7.707 -4.983 1.00 0.00 N ATOM 437 CA PRO A 31 -10.019 6.999 -4.217 1.00 0.00 C ATOM 438 C PRO A 31 -8.837 6.580 -5.084 1.00 0.00 C ATOM 439 O PRO A 31 -7.758 6.278 -4.575 1.00 0.00 O ATOM 440 CB PRO A 31 -10.756 5.767 -3.686 1.00 0.00 C ATOM 441 CG PRO A 31 -11.867 5.544 -4.653 1.00 0.00 C ATOM 442 CD PRO A 31 -12.277 6.909 -5.134 1.00 0.00 C ATOM 0 HA PRO A 31 -9.590 7.625 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.095 4.902 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.136 5.937 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.541 4.919 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.702 5.031 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.616 6.885 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.096 7.315 -4.540 1.00 0.00 H new ATOM 450 N GLU A 32 -9.047 6.565 -6.397 1.00 0.00 N ATOM 451 CA GLU A 32 -7.998 6.182 -7.334 1.00 0.00 C ATOM 452 C GLU A 32 -6.772 7.076 -7.173 1.00 0.00 C ATOM 453 O GLU A 32 -5.643 6.592 -7.106 1.00 0.00 O ATOM 454 CB GLU A 32 -8.514 6.260 -8.772 1.00 0.00 C ATOM 455 CG GLU A 32 -7.443 6.004 -9.818 1.00 0.00 C ATOM 456 CD GLU A 32 -7.843 6.494 -11.196 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.887 6.037 -11.707 1.00 0.00 O ATOM 458 OE2 GLU A 32 -7.114 7.335 -11.763 1.00 0.00 O ATOM 0 H GLU A 32 -9.934 6.814 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.708 5.154 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.317 5.534 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.946 7.246 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.520 6.498 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.233 4.935 -9.863 1.00 0.00 H new ATOM 465 N GLU A 33 -7.005 8.384 -7.112 1.00 0.00 N ATOM 466 CA GLU A 33 -5.919 9.346 -6.960 1.00 0.00 C ATOM 467 C GLU A 33 -5.408 9.367 -5.522 1.00 0.00 C ATOM 468 O GLU A 33 -4.203 9.299 -5.279 1.00 0.00 O ATOM 469 CB GLU A 33 -6.387 10.745 -7.367 1.00 0.00 C ATOM 470 CG GLU A 33 -6.215 11.037 -8.848 1.00 0.00 C ATOM 471 CD GLU A 33 -4.764 11.249 -9.236 1.00 0.00 C ATOM 472 OE1 GLU A 33 -4.161 12.232 -8.758 1.00 0.00 O ATOM 473 OE2 GLU A 33 -4.233 10.433 -10.017 1.00 0.00 O ATOM 0 H GLU A 33 -7.934 8.801 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.102 9.039 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.438 10.859 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.832 11.486 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.625 10.210 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.790 11.925 -9.109 1.00 0.00 H new ATOM 480 N PHE A 34 -6.333 9.463 -4.573 1.00 0.00 N ATOM 481 CA PHE A 34 -5.978 9.495 -3.159 1.00 0.00 C ATOM 482 C PHE A 34 -5.057 8.331 -2.803 1.00 0.00 C ATOM 483 O PHE A 34 -4.139 8.476 -1.994 1.00 0.00 O ATOM 484 CB PHE A 34 -7.238 9.445 -2.293 1.00 0.00 C ATOM 485 CG PHE A 34 -6.953 9.253 -0.831 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.701 7.990 -0.321 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.939 10.336 0.034 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.438 7.810 1.024 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.676 10.162 1.380 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.427 8.897 1.876 1.00 0.00 C ATOM 0 H PHE A 34 -7.335 9.520 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.449 10.428 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.799 10.370 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.876 8.632 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.710 7.136 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.136 11.327 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.241 6.820 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.665 11.014 2.043 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.224 8.758 2.928 1.00 0.00 H new ATOM 500 N LEU A 35 -5.308 7.178 -3.413 1.00 0.00 N ATOM 501 CA LEU A 35 -4.502 5.988 -3.162 1.00 0.00 C ATOM 502 C LEU A 35 -3.121 6.122 -3.794 1.00 0.00 C ATOM 503 O LEU A 35 -2.105 6.132 -3.098 1.00 0.00 O ATOM 504 CB LEU A 35 -5.208 4.746 -3.708 1.00 0.00 C ATOM 505 CG LEU A 35 -6.269 4.123 -2.801 1.00 0.00 C ATOM 506 CD1 LEU A 35 -7.208 3.239 -3.607 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.613 3.326 -1.683 1.00 0.00 C ATOM 0 H LEU A 35 -6.063 7.042 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.378 5.884 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.678 5.007 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.454 3.989 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.854 4.926 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.956 2.804 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.704 3.837 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.638 2.441 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.383 2.890 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.003 2.531 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.982 3.986 -1.088 1.00 0.00 H new ATOM 519 N LYS A 36 -3.090 6.228 -5.118 1.00 0.00 N ATOM 520 CA LYS A 36 -1.834 6.365 -5.846 1.00 0.00 C ATOM 521 C LYS A 36 -0.917 7.376 -5.163 1.00 0.00 C ATOM 522 O LYS A 36 0.272 7.121 -4.975 1.00 0.00 O ATOM 523 CB LYS A 36 -2.101 6.797 -7.289 1.00 0.00 C ATOM 524 CG LYS A 36 -2.794 5.734 -8.124 1.00 0.00 C ATOM 525 CD LYS A 36 -3.666 6.353 -9.203 1.00 0.00 C ATOM 526 CE LYS A 36 -2.834 6.849 -10.376 1.00 0.00 C ATOM 527 NZ LYS A 36 -2.189 8.159 -10.084 1.00 0.00 N ATOM 0 H LYS A 36 -3.921 6.222 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.338 5.395 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.714 7.698 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.155 7.059 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.047 5.088 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.405 5.104 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.389 5.617 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.234 7.183 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.067 6.112 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.469 6.945 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.124 8.717 -10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.757 8.678 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.234 7.999 -9.704 1.00 0.00 H new ATOM 541 N SER A 37 -1.479 8.522 -4.793 1.00 0.00 N ATOM 542 CA SER A 37 -0.711 9.572 -4.134 1.00 0.00 C ATOM 543 C SER A 37 -0.294 9.140 -2.731 1.00 0.00 C ATOM 544 O SER A 37 0.807 9.450 -2.276 1.00 0.00 O ATOM 545 CB SER A 37 -1.530 10.862 -4.060 1.00 0.00 C ATOM 546 OG SER A 37 -1.377 11.631 -5.240 1.00 0.00 O ATOM 0 H SER A 37 -2.463 8.747 -4.938 1.00 0.00 H new ATOM 0 HA SER A 37 0.188 9.754 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.583 10.620 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.214 11.448 -3.197 1.00 0.00 H new ATOM 0 HG SER A 37 -1.911 12.449 -5.169 1.00 0.00 H new ATOM 552 N SER A 38 -1.182 8.422 -2.051 1.00 0.00 N ATOM 553 CA SER A 38 -0.910 7.950 -0.699 1.00 0.00 C ATOM 554 C SER A 38 0.257 6.967 -0.692 1.00 0.00 C ATOM 555 O SER A 38 1.218 7.131 0.061 1.00 0.00 O ATOM 556 CB SER A 38 -2.154 7.286 -0.107 1.00 0.00 C ATOM 557 OG SER A 38 -2.998 8.242 0.509 1.00 0.00 O ATOM 0 H SER A 38 -2.097 8.154 -2.415 1.00 0.00 H new ATOM 0 HA SER A 38 -0.642 8.811 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.701 6.766 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.856 6.535 0.624 1.00 0.00 H new ATOM 0 HG SER A 38 -3.625 8.600 -0.154 1.00 0.00 H new ATOM 563 N LEU A 39 0.166 5.945 -1.535 1.00 0.00 N ATOM 564 CA LEU A 39 1.214 4.934 -1.627 1.00 0.00 C ATOM 565 C LEU A 39 2.461 5.501 -2.298 1.00 0.00 C ATOM 566 O LEU A 39 3.573 5.025 -2.070 1.00 0.00 O ATOM 567 CB LEU A 39 0.710 3.718 -2.407 1.00 0.00 C ATOM 568 CG LEU A 39 -0.687 3.216 -2.038 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.259 2.361 -3.158 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.645 2.433 -0.734 1.00 0.00 C ATOM 0 H LEU A 39 -0.622 5.794 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 39 1.477 4.626 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.717 3.964 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.417 2.901 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.338 4.079 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.253 2.012 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.326 2.954 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.609 1.503 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.647 2.084 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.021 1.577 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.278 3.077 0.065 1.00 0.00 H new ATOM 582 N LYS A 40 2.268 6.523 -3.125 1.00 0.00 N ATOM 583 CA LYS A 40 3.377 7.159 -3.827 1.00 0.00 C ATOM 584 C LYS A 40 4.629 7.183 -2.957 1.00 0.00 C ATOM 585 O LYS A 40 5.590 6.459 -3.216 1.00 0.00 O ATOM 586 CB LYS A 40 2.998 8.585 -4.234 1.00 0.00 C ATOM 587 CG LYS A 40 3.964 9.211 -5.226 1.00 0.00 C ATOM 588 CD LYS A 40 4.021 10.721 -5.071 1.00 0.00 C ATOM 589 CE LYS A 40 4.992 11.133 -3.975 1.00 0.00 C ATOM 590 NZ LYS A 40 6.390 11.227 -4.480 1.00 0.00 N ATOM 0 H LYS A 40 1.354 6.929 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 40 3.590 6.576 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.999 8.576 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.952 9.209 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.959 8.791 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.658 8.960 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.323 11.174 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.026 11.102 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.689 12.096 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.948 10.410 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.051 11.206 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.586 10.424 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.511 12.117 -5.005 1.00 0.00 H new ATOM 604 N ASN A 41 4.611 8.019 -1.924 1.00 0.00 N ATOM 605 CA ASN A 41 5.746 8.137 -1.016 1.00 0.00 C ATOM 606 C ASN A 41 6.400 6.778 -0.784 1.00 0.00 C ATOM 607 O ASN A 41 7.603 6.613 -0.983 1.00 0.00 O ATOM 608 CB ASN A 41 5.298 8.734 0.319 1.00 0.00 C ATOM 609 CG ASN A 41 5.337 10.250 0.317 1.00 0.00 C ATOM 610 OD1 ASN A 41 5.070 10.887 -0.702 1.00 0.00 O ATOM 611 ND2 ASN A 41 5.671 10.835 1.461 1.00 0.00 N ATOM 0 H ASN A 41 3.823 8.625 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 41 6.479 8.800 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.285 8.400 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.940 8.358 1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.714 11.852 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.884 10.267 2.281 1.00 0.00 H new ATOM 618 N GLY A 42 5.597 5.805 -0.362 1.00 0.00 N ATOM 619 CA GLY A 42 6.115 4.473 -0.110 1.00 0.00 C ATOM 620 C GLY A 42 6.136 4.128 1.366 1.00 0.00 C ATOM 621 O GLY A 42 6.044 2.959 1.739 1.00 0.00 O ATOM 0 H GLY A 42 4.598 5.916 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.505 3.743 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.125 4.398 -0.512 1.00 0.00 H new ATOM 625 N VAL A 43 6.260 5.149 2.208 1.00 0.00 N ATOM 626 CA VAL A 43 6.294 4.949 3.652 1.00 0.00 C ATOM 627 C VAL A 43 5.016 4.280 4.144 1.00 0.00 C ATOM 628 O VAL A 43 5.025 3.554 5.139 1.00 0.00 O ATOM 629 CB VAL A 43 6.483 6.282 4.399 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.300 7.206 4.152 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.676 6.036 5.888 1.00 0.00 C ATOM 0 H VAL A 43 6.339 6.123 1.915 1.00 0.00 H new ATOM 0 HA VAL A 43 7.144 4.300 3.862 1.00 0.00 H new ATOM 0 HB VAL A 43 7.380 6.769 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.452 8.143 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.213 7.409 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.386 6.729 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.808 6.989 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.800 5.527 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.559 5.416 6.043 1.00 0.00 H new ATOM 641 N VAL A 44 3.915 4.529 3.441 1.00 0.00 N ATOM 642 CA VAL A 44 2.628 3.949 3.806 1.00 0.00 C ATOM 643 C VAL A 44 2.617 2.443 3.568 1.00 0.00 C ATOM 644 O VAL A 44 1.974 1.693 4.304 1.00 0.00 O ATOM 645 CB VAL A 44 1.478 4.592 3.009 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.230 3.725 3.078 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.192 5.994 3.524 1.00 0.00 C ATOM 0 H VAL A 44 3.889 5.128 2.616 1.00 0.00 H new ATOM 0 HA VAL A 44 2.480 4.147 4.868 1.00 0.00 H new ATOM 0 HB VAL A 44 1.781 4.668 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.572 4.196 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.446 2.743 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.079 3.614 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.377 6.433 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.909 5.945 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.085 6.610 3.417 1.00 0.00 H new ATOM 657 N LEU A 45 3.331 2.007 2.537 1.00 0.00 N ATOM 658 CA LEU A 45 3.405 0.589 2.202 1.00 0.00 C ATOM 659 C LEU A 45 4.329 -0.151 3.164 1.00 0.00 C ATOM 660 O LEU A 45 3.986 -1.218 3.674 1.00 0.00 O ATOM 661 CB LEU A 45 3.896 0.409 0.765 1.00 0.00 C ATOM 662 CG LEU A 45 2.888 0.745 -0.335 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.600 0.974 -1.659 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.855 -0.365 -0.469 1.00 0.00 C ATOM 0 H LEU A 45 3.867 2.615 1.918 1.00 0.00 H new ATOM 0 HA LEU A 45 2.404 0.167 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.779 1.032 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.212 -0.626 0.637 1.00 0.00 H new ATOM 0 HG LEU A 45 2.371 1.664 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.867 1.212 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.301 1.802 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.143 0.072 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.146 -0.109 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.356 -1.300 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.323 -0.482 0.475 1.00 0.00 H new ATOM 676 N CYS A 46 5.502 0.424 3.408 1.00 0.00 N ATOM 677 CA CYS A 46 6.476 -0.180 4.310 1.00 0.00 C ATOM 678 C CYS A 46 5.843 -0.497 5.661 1.00 0.00 C ATOM 679 O CYS A 46 6.072 -1.563 6.232 1.00 0.00 O ATOM 680 CB CYS A 46 7.673 0.752 4.500 1.00 0.00 C ATOM 681 SG CYS A 46 8.446 1.286 2.955 1.00 0.00 S ATOM 0 H CYS A 46 5.801 1.307 2.994 1.00 0.00 H new ATOM 0 HA CYS A 46 6.819 -1.113 3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.350 1.633 5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.420 0.246 5.112 1.00 0.00 H new ATOM 0 HG CYS A 46 7.567 1.901 2.220 1.00 0.00 H new ATOM 687 N LYS A 47 5.047 0.438 6.169 1.00 0.00 N ATOM 688 CA LYS A 47 4.380 0.260 7.453 1.00 0.00 C ATOM 689 C LYS A 47 3.318 -0.831 7.369 1.00 0.00 C ATOM 690 O LYS A 47 3.129 -1.602 8.311 1.00 0.00 O ATOM 691 CB LYS A 47 3.740 1.575 7.905 1.00 0.00 C ATOM 692 CG LYS A 47 4.735 2.573 8.470 1.00 0.00 C ATOM 693 CD LYS A 47 4.045 3.840 8.947 1.00 0.00 C ATOM 694 CE LYS A 47 4.845 4.535 10.038 1.00 0.00 C ATOM 695 NZ LYS A 47 4.504 4.016 11.392 1.00 0.00 N ATOM 0 H LYS A 47 4.848 1.327 5.711 1.00 0.00 H new ATOM 0 HA LYS A 47 5.130 -0.043 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.225 2.028 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.984 1.361 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.276 2.118 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.472 2.824 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.908 4.520 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.052 3.595 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.910 4.395 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.654 5.607 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.070 4.515 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.493 4.173 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.710 2.998 11.436 1.00 0.00 H new ATOM 709 N LEU A 48 2.629 -0.893 6.235 1.00 0.00 N ATOM 710 CA LEU A 48 1.586 -1.892 6.027 1.00 0.00 C ATOM 711 C LEU A 48 2.124 -3.299 6.271 1.00 0.00 C ATOM 712 O LEU A 48 1.773 -3.946 7.258 1.00 0.00 O ATOM 713 CB LEU A 48 1.027 -1.787 4.607 1.00 0.00 C ATOM 714 CG LEU A 48 0.067 -2.898 4.179 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.109 -2.986 5.139 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.419 -2.663 2.757 1.00 0.00 C ATOM 0 H LEU A 48 2.773 -0.264 5.445 1.00 0.00 H new ATOM 0 HA LEU A 48 0.785 -1.699 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.511 -0.832 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.864 -1.769 3.909 1.00 0.00 H new ATOM 0 HG LEU A 48 0.603 -3.847 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.781 -3.782 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.744 -3.202 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.646 -2.037 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.101 -3.463 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.938 -1.706 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.434 -2.651 2.078 1.00 0.00 H new ATOM 728 N ILE A 49 2.979 -3.765 5.366 1.00 0.00 N ATOM 729 CA ILE A 49 3.567 -5.093 5.485 1.00 0.00 C ATOM 730 C ILE A 49 4.113 -5.329 6.889 1.00 0.00 C ATOM 731 O ILE A 49 3.915 -6.393 7.473 1.00 0.00 O ATOM 732 CB ILE A 49 4.701 -5.300 4.464 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.128 -6.769 4.433 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.886 -4.406 4.800 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.170 -7.660 3.674 1.00 0.00 C ATOM 0 H ILE A 49 3.279 -3.242 4.543 1.00 0.00 H new ATOM 0 HA ILE A 49 2.771 -5.810 5.282 1.00 0.00 H new ATOM 0 HB ILE A 49 4.333 -5.027 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.117 -6.842 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.219 -7.134 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.679 -4.564 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.573 -3.362 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.256 -4.651 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.535 -8.687 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.186 -7.616 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.098 -7.320 2.641 1.00 0.00 H new ATOM 747 N ASN A 50 4.802 -4.326 7.426 1.00 0.00 N ATOM 748 CA ASN A 50 5.376 -4.424 8.763 1.00 0.00 C ATOM 749 C ASN A 50 4.336 -4.910 9.768 1.00 0.00 C ATOM 750 O ASN A 50 4.647 -5.684 10.674 1.00 0.00 O ATOM 751 CB ASN A 50 5.931 -3.067 9.203 1.00 0.00 C ATOM 752 CG ASN A 50 7.114 -3.203 10.142 1.00 0.00 C ATOM 753 OD1 ASN A 50 6.958 -3.576 11.305 1.00 0.00 O ATOM 754 ND2 ASN A 50 8.305 -2.900 9.640 1.00 0.00 N ATOM 0 H ASN A 50 4.976 -3.438 6.956 1.00 0.00 H new ATOM 0 HA ASN A 50 6.189 -5.149 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.232 -2.498 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.143 -2.498 9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.138 -2.972 10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.387 -2.595 8.670 1.00 0.00 H new ATOM 761 N ARG A 51 3.100 -4.451 9.601 1.00 0.00 N ATOM 762 CA ARG A 51 2.014 -4.838 10.493 1.00 0.00 C ATOM 763 C ARG A 51 1.492 -6.229 10.142 1.00 0.00 C ATOM 764 O ARG A 51 1.184 -7.029 11.027 1.00 0.00 O ATOM 765 CB ARG A 51 0.875 -3.820 10.417 1.00 0.00 C ATOM 766 CG ARG A 51 -0.179 -4.003 11.497 1.00 0.00 C ATOM 767 CD ARG A 51 0.329 -3.544 12.854 1.00 0.00 C ATOM 768 NE ARG A 51 0.981 -4.625 13.589 1.00 0.00 N ATOM 769 CZ ARG A 51 0.348 -5.718 14.003 1.00 0.00 C ATOM 770 NH1 ARG A 51 -0.945 -5.873 13.754 1.00 0.00 N ATOM 771 NH2 ARG A 51 1.010 -6.658 14.666 1.00 0.00 N ATOM 0 H ARG A 51 2.826 -3.811 8.856 1.00 0.00 H new ATOM 0 HA ARG A 51 2.404 -4.861 11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.291 -2.816 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.398 -3.893 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.074 -3.440 11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.468 -5.053 11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.032 -2.722 12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.504 -3.157 13.441 1.00 0.00 H new ATOM 0 HE ARG A 51 1.976 -4.536 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.456 -5.153 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.429 -6.713 14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.005 -6.542 14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.524 -7.497 14.983 1.00 0.00 H new ATOM 785 N LEU A 52 1.394 -6.509 8.848 1.00 0.00 N ATOM 786 CA LEU A 52 0.909 -7.802 8.379 1.00 0.00 C ATOM 787 C LEU A 52 1.804 -8.933 8.877 1.00 0.00 C ATOM 788 O LEU A 52 1.318 -9.955 9.361 1.00 0.00 O ATOM 789 CB LEU A 52 0.845 -7.823 6.851 1.00 0.00 C ATOM 790 CG LEU A 52 0.125 -6.645 6.194 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.196 -6.754 4.678 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.323 -6.579 6.658 1.00 0.00 C ATOM 0 H LEU A 52 1.644 -5.858 8.104 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.093 -7.952 8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.864 -7.862 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.351 -8.744 6.540 1.00 0.00 H new ATOM 0 HG LEU A 52 0.625 -5.725 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.322 -5.907 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.239 -6.752 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.278 -7.681 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.820 -5.735 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.835 -7.502 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.353 -6.453 7.740 1.00 0.00 H new ATOM 804 N MET A 53 3.113 -8.740 8.757 1.00 0.00 N ATOM 805 CA MET A 53 4.076 -9.742 9.199 1.00 0.00 C ATOM 806 C MET A 53 5.138 -9.117 10.098 1.00 0.00 C ATOM 807 O MET A 53 5.612 -8.006 9.860 1.00 0.00 O ATOM 808 CB MET A 53 4.741 -10.408 7.992 1.00 0.00 C ATOM 809 CG MET A 53 3.770 -11.179 7.113 1.00 0.00 C ATOM 810 SD MET A 53 4.585 -11.988 5.723 1.00 0.00 S ATOM 811 CE MET A 53 3.918 -13.645 5.856 1.00 0.00 C ATOM 0 H MET A 53 3.531 -7.900 8.358 1.00 0.00 H new ATOM 0 HA MET A 53 3.539 -10.497 9.773 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.234 -9.644 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.518 -11.087 8.344 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.257 -11.929 7.715 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.008 -10.498 6.736 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.981 -14.141 4.888 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.491 -14.210 6.591 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.876 -13.593 6.170 1.00 0.00 H new ATOM 821 N PRO A 54 5.521 -9.845 11.157 1.00 0.00 N ATOM 822 CA PRO A 54 6.531 -9.381 12.113 1.00 0.00 C ATOM 823 C PRO A 54 7.930 -9.347 11.507 1.00 0.00 C ATOM 824 O PRO A 54 8.527 -10.388 11.239 1.00 0.00 O ATOM 825 CB PRO A 54 6.460 -10.419 13.236 1.00 0.00 C ATOM 826 CG PRO A 54 5.934 -11.650 12.581 1.00 0.00 C ATOM 827 CD PRO A 54 4.998 -11.178 11.503 1.00 0.00 C ATOM 0 HA PRO A 54 6.340 -8.360 12.445 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.442 -10.593 13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.804 -10.087 14.041 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.745 -12.245 12.161 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.414 -12.283 13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.005 -11.848 10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.969 -11.126 11.859 1.00 0.00 H new ATOM 835 N GLY A 55 8.448 -8.141 11.295 1.00 0.00 N ATOM 836 CA GLY A 55 9.774 -7.993 10.722 1.00 0.00 C ATOM 837 C GLY A 55 9.763 -8.069 9.209 1.00 0.00 C ATOM 838 O GLY A 55 10.452 -8.900 8.617 1.00 0.00 O ATOM 0 H GLY A 55 7.974 -7.264 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.196 -7.037 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.426 -8.772 11.117 1.00 0.00 H new ATOM 842 N SER A 56 8.978 -7.201 8.579 1.00 0.00 N ATOM 843 CA SER A 56 8.876 -7.177 7.125 1.00 0.00 C ATOM 844 C SER A 56 9.848 -6.163 6.529 1.00 0.00 C ATOM 845 O SER A 56 10.476 -6.418 5.501 1.00 0.00 O ATOM 846 CB SER A 56 7.446 -6.841 6.698 1.00 0.00 C ATOM 847 OG SER A 56 6.541 -7.855 7.102 1.00 0.00 O ATOM 0 H SER A 56 8.403 -6.505 9.053 1.00 0.00 H new ATOM 0 HA SER A 56 9.136 -8.167 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.147 -5.888 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.405 -6.723 5.615 1.00 0.00 H new ATOM 0 HG SER A 56 6.341 -7.754 8.056 1.00 0.00 H new ATOM 853 N VAL A 57 9.967 -5.012 7.182 1.00 0.00 N ATOM 854 CA VAL A 57 10.863 -3.959 6.719 1.00 0.00 C ATOM 855 C VAL A 57 11.927 -3.644 7.764 1.00 0.00 C ATOM 856 O VAL A 57 11.610 -3.327 8.910 1.00 0.00 O ATOM 857 CB VAL A 57 10.089 -2.670 6.385 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.041 -1.584 5.908 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.017 -2.948 5.342 1.00 0.00 C ATOM 0 H VAL A 57 9.454 -4.785 8.034 1.00 0.00 H new ATOM 0 HA VAL A 57 11.345 -4.329 5.814 1.00 0.00 H new ATOM 0 HB VAL A 57 9.598 -2.316 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.476 -0.681 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.767 -1.367 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.563 -1.925 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.480 -2.026 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.484 -3.326 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.318 -3.691 5.727 1.00 0.00 H new ATOM 869 N GLU A 58 13.190 -3.732 7.360 1.00 0.00 N ATOM 870 CA GLU A 58 14.302 -3.456 8.263 1.00 0.00 C ATOM 871 C GLU A 58 14.302 -1.992 8.693 1.00 0.00 C ATOM 872 O GLU A 58 14.510 -1.677 9.865 1.00 0.00 O ATOM 873 CB GLU A 58 15.632 -3.802 7.591 1.00 0.00 C ATOM 874 CG GLU A 58 15.744 -5.260 7.178 1.00 0.00 C ATOM 875 CD GLU A 58 17.181 -5.704 6.989 1.00 0.00 C ATOM 876 OE1 GLU A 58 17.936 -5.710 7.984 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.551 -6.047 5.847 1.00 0.00 O ATOM 0 H GLU A 58 13.469 -3.992 6.414 1.00 0.00 H new ATOM 0 HA GLU A 58 14.180 -4.078 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.759 -3.173 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.447 -3.563 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.271 -5.886 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.195 -5.414 6.249 1.00 0.00 H new ATOM 884 N LYS A 59 14.069 -1.100 7.737 1.00 0.00 N ATOM 885 CA LYS A 59 14.041 0.331 8.014 1.00 0.00 C ATOM 886 C LYS A 59 13.611 1.116 6.779 1.00 0.00 C ATOM 887 O LYS A 59 14.212 0.992 5.711 1.00 0.00 O ATOM 888 CB LYS A 59 15.419 0.808 8.480 1.00 0.00 C ATOM 889 CG LYS A 59 16.565 0.262 7.646 1.00 0.00 C ATOM 890 CD LYS A 59 17.907 0.504 8.317 1.00 0.00 C ATOM 891 CE LYS A 59 18.140 1.985 8.578 1.00 0.00 C ATOM 892 NZ LYS A 59 18.078 2.786 7.325 1.00 0.00 N ATOM 0 H LYS A 59 13.896 -1.343 6.762 1.00 0.00 H new ATOM 0 HA LYS A 59 13.314 0.508 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.446 1.897 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.564 0.513 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.424 -0.807 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.558 0.734 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.948 -0.044 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.706 0.114 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.392 2.352 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.114 2.122 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.390 3.759 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.700 2.359 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.100 2.801 6.970 1.00 0.00 H new ATOM 906 N PHE A 60 12.568 1.926 6.931 1.00 0.00 N ATOM 907 CA PHE A 60 12.058 2.732 5.829 1.00 0.00 C ATOM 908 C PHE A 60 12.078 4.216 6.185 1.00 0.00 C ATOM 909 O PHE A 60 12.402 4.590 7.313 1.00 0.00 O ATOM 910 CB PHE A 60 10.635 2.301 5.470 1.00 0.00 C ATOM 911 CG PHE A 60 9.671 2.401 6.617 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.796 1.568 7.718 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.641 3.327 6.596 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.910 1.657 8.775 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.752 3.421 7.651 1.00 0.00 C ATOM 916 CZ PHE A 60 7.888 2.586 8.742 1.00 0.00 C ATOM 0 H PHE A 60 12.060 2.041 7.808 1.00 0.00 H new ATOM 0 HA PHE A 60 12.706 2.575 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.274 2.918 4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.655 1.272 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.594 0.842 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.531 3.983 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.017 1.001 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.953 4.147 7.622 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.197 2.659 9.568 1.00 0.00 H new ATOM 926 N CYS A 61 11.731 5.055 5.215 1.00 0.00 N ATOM 927 CA CYS A 61 11.710 6.498 5.425 1.00 0.00 C ATOM 928 C CYS A 61 10.328 6.963 5.871 1.00 0.00 C ATOM 929 O CYS A 61 9.358 6.874 5.118 1.00 0.00 O ATOM 930 CB CYS A 61 12.117 7.227 4.143 1.00 0.00 C ATOM 931 SG CYS A 61 12.923 8.820 4.424 1.00 0.00 S ATOM 0 H CYS A 61 11.461 4.761 4.276 1.00 0.00 H new ATOM 0 HA CYS A 61 12.425 6.736 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.790 6.587 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.230 7.384 3.530 1.00 0.00 H new ATOM 0 HG CYS A 61 14.119 8.797 3.914 1.00 0.00 H new ATOM 937 N LEU A 62 10.244 7.457 7.102 1.00 0.00 N ATOM 938 CA LEU A 62 8.980 7.934 7.650 1.00 0.00 C ATOM 939 C LEU A 62 8.538 9.221 6.961 1.00 0.00 C ATOM 940 O LEU A 62 7.398 9.336 6.510 1.00 0.00 O ATOM 941 CB LEU A 62 9.110 8.168 9.156 1.00 0.00 C ATOM 942 CG LEU A 62 8.967 6.931 10.043 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.915 7.328 11.510 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.725 6.140 9.658 1.00 0.00 C ATOM 0 H LEU A 62 11.037 7.537 7.739 1.00 0.00 H new ATOM 0 HA LEU A 62 8.224 7.170 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.083 8.619 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.356 8.895 9.457 1.00 0.00 H new ATOM 0 HG LEU A 62 9.840 6.296 9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.813 6.434 12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.833 7.851 11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.061 7.984 11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.639 5.263 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.842 6.767 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.804 5.823 8.618 1.00 0.00 H new ATOM 956 N ASP A 63 9.448 10.186 6.880 1.00 0.00 N ATOM 957 CA ASP A 63 9.154 11.463 6.242 1.00 0.00 C ATOM 958 C ASP A 63 10.168 11.769 5.145 1.00 0.00 C ATOM 959 O ASP A 63 11.122 12.524 5.339 1.00 0.00 O ATOM 960 CB ASP A 63 9.153 12.587 7.280 1.00 0.00 C ATOM 961 CG ASP A 63 8.759 13.925 6.684 1.00 0.00 C ATOM 962 OD1 ASP A 63 9.641 14.607 6.122 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.568 14.288 6.780 1.00 0.00 O ATOM 0 H ASP A 63 10.396 10.107 7.249 1.00 0.00 H new ATOM 0 HA ASP A 63 8.165 11.395 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.463 12.334 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.145 12.668 7.724 1.00 0.00 H new ATOM 968 N PRO A 64 9.961 11.169 3.963 1.00 0.00 N ATOM 969 CA PRO A 64 10.847 11.361 2.811 1.00 0.00 C ATOM 970 C PRO A 64 10.742 12.766 2.227 1.00 0.00 C ATOM 971 O PRO A 64 9.700 13.149 1.696 1.00 0.00 O ATOM 972 CB PRO A 64 10.347 10.324 1.803 1.00 0.00 C ATOM 973 CG PRO A 64 8.921 10.096 2.168 1.00 0.00 C ATOM 974 CD PRO A 64 8.845 10.257 3.661 1.00 0.00 C ATOM 0 HA PRO A 64 11.897 11.243 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.440 10.689 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.924 9.401 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.270 10.811 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.595 9.101 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.888 10.676 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.956 9.302 4.174 1.00 0.00 H new ATOM 982 N GLN A 65 11.826 13.527 2.329 1.00 0.00 N ATOM 983 CA GLN A 65 11.854 14.889 1.810 1.00 0.00 C ATOM 984 C GLN A 65 12.308 14.908 0.354 1.00 0.00 C ATOM 985 O GLN A 65 11.964 15.816 -0.404 1.00 0.00 O ATOM 986 CB GLN A 65 12.783 15.761 2.658 1.00 0.00 C ATOM 987 CG GLN A 65 12.314 15.932 4.094 1.00 0.00 C ATOM 988 CD GLN A 65 13.034 17.055 4.813 1.00 0.00 C ATOM 989 OE1 GLN A 65 13.696 16.834 5.827 1.00 0.00 O ATOM 990 NE2 GLN A 65 12.909 18.269 4.290 1.00 0.00 N ATOM 0 H GLN A 65 12.696 13.224 2.766 1.00 0.00 H new ATOM 0 HA GLN A 65 10.842 15.291 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.780 15.320 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.870 16.743 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.242 16.130 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.470 15.000 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.350 18.406 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.372 19.064 4.730 1.00 0.00 H new ATOM 999 N THR A 66 13.085 13.900 -0.032 1.00 0.00 N ATOM 1000 CA THR A 66 13.588 13.802 -1.396 1.00 0.00 C ATOM 1001 C THR A 66 13.084 12.535 -2.077 1.00 0.00 C ATOM 1002 O THR A 66 12.522 11.653 -1.429 1.00 0.00 O ATOM 1003 CB THR A 66 15.128 13.812 -1.429 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.639 12.646 -0.775 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.675 15.060 -0.754 1.00 0.00 C ATOM 0 H THR A 66 13.379 13.140 0.582 1.00 0.00 H new ATOM 0 HA THR A 66 13.215 14.674 -1.934 1.00 0.00 H new ATOM 0 HB THR A 66 15.448 13.813 -2.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.241 12.571 0.118 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.764 15.045 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.307 15.945 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.346 15.086 0.285 1.00 0.00 H new ATOM 1013 N GLU A 67 13.290 12.451 -3.388 1.00 0.00 N ATOM 1014 CA GLU A 67 12.856 11.290 -4.156 1.00 0.00 C ATOM 1015 C GLU A 67 13.555 10.024 -3.670 1.00 0.00 C ATOM 1016 O GLU A 67 12.905 9.052 -3.286 1.00 0.00 O ATOM 1017 CB GLU A 67 13.138 11.502 -5.645 1.00 0.00 C ATOM 1018 CG GLU A 67 12.816 10.290 -6.504 1.00 0.00 C ATOM 1019 CD GLU A 67 13.346 10.421 -7.919 1.00 0.00 C ATOM 1020 OE1 GLU A 67 12.610 10.946 -8.781 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.494 9.997 -8.165 1.00 0.00 O ATOM 0 H GLU A 67 13.754 13.172 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 67 11.782 11.170 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.556 12.353 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.189 11.759 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.240 9.399 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.736 10.149 -6.536 1.00 0.00 H new ATOM 1028 N ALA A 68 14.884 10.043 -3.691 1.00 0.00 N ATOM 1029 CA ALA A 68 15.671 8.898 -3.251 1.00 0.00 C ATOM 1030 C ALA A 68 15.073 8.268 -1.998 1.00 0.00 C ATOM 1031 O ALA A 68 15.178 7.060 -1.788 1.00 0.00 O ATOM 1032 CB ALA A 68 17.113 9.314 -2.998 1.00 0.00 C ATOM 0 H ALA A 68 15.438 10.839 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 68 15.653 8.151 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.689 8.449 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.544 9.710 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.140 10.082 -2.225 1.00 0.00 H new ATOM 1038 N ASP A 69 14.445 9.095 -1.169 1.00 0.00 N ATOM 1039 CA ASP A 69 13.829 8.619 0.065 1.00 0.00 C ATOM 1040 C ASP A 69 12.500 7.929 -0.223 1.00 0.00 C ATOM 1041 O ASP A 69 12.223 6.850 0.302 1.00 0.00 O ATOM 1042 CB ASP A 69 13.615 9.782 1.035 1.00 0.00 C ATOM 1043 CG ASP A 69 14.914 10.281 1.637 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.747 9.438 2.033 1.00 0.00 O ATOM 1045 OD2 ASP A 69 15.098 11.513 1.711 1.00 0.00 O ATOM 0 H ASP A 69 14.349 10.098 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 69 14.502 7.894 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.122 10.601 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.945 9.466 1.835 1.00 0.00 H new ATOM 1050 N CYS A 70 11.681 8.559 -1.058 1.00 0.00 N ATOM 1051 CA CYS A 70 10.379 8.006 -1.415 1.00 0.00 C ATOM 1052 C CYS A 70 10.531 6.641 -2.077 1.00 0.00 C ATOM 1053 O CYS A 70 9.872 5.675 -1.689 1.00 0.00 O ATOM 1054 CB CYS A 70 9.635 8.961 -2.350 1.00 0.00 C ATOM 1055 SG CYS A 70 8.805 10.326 -1.504 1.00 0.00 S ATOM 0 H CYS A 70 11.895 9.453 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 70 9.801 7.882 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.342 9.371 -3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.895 8.395 -2.916 1.00 0.00 H new ATOM 0 HG CYS A 70 8.577 11.286 -2.350 1.00 0.00 H new ATOM 1061 N ILE A 71 11.401 6.568 -3.079 1.00 0.00 N ATOM 1062 CA ILE A 71 11.638 5.321 -3.795 1.00 0.00 C ATOM 1063 C ILE A 71 12.116 4.226 -2.848 1.00 0.00 C ATOM 1064 O ILE A 71 11.647 3.090 -2.910 1.00 0.00 O ATOM 1065 CB ILE A 71 12.678 5.505 -4.916 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.211 6.575 -5.904 1.00 0.00 C ATOM 1067 CG2 ILE A 71 12.924 4.186 -5.632 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.172 6.079 -6.886 1.00 0.00 C ATOM 0 H ILE A 71 11.953 7.358 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 71 10.687 5.025 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 71 13.617 5.834 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.800 7.417 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.073 6.948 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.661 4.332 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.296 3.449 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.991 3.829 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.887 6.891 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.586 5.256 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.293 5.732 -6.342 1.00 0.00 H new ATOM 1080 N ASN A 72 13.051 4.575 -1.971 1.00 0.00 N ATOM 1081 CA ASN A 72 13.591 3.622 -1.009 1.00 0.00 C ATOM 1082 C ASN A 72 12.469 2.915 -0.254 1.00 0.00 C ATOM 1083 O ASN A 72 12.531 1.709 -0.016 1.00 0.00 O ATOM 1084 CB ASN A 72 14.517 4.332 -0.020 1.00 0.00 C ATOM 1085 CG ASN A 72 15.901 4.570 -0.593 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.423 3.749 -1.346 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.503 5.700 -0.237 1.00 0.00 N ATOM 0 H ASN A 72 13.451 5.511 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 72 14.162 2.874 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.076 5.287 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.600 3.735 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.435 5.915 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.033 6.353 0.390 1.00 0.00 H new ATOM 1094 N ASN A 73 11.444 3.674 0.119 1.00 0.00 N ATOM 1095 CA ASN A 73 10.308 3.121 0.846 1.00 0.00 C ATOM 1096 C ASN A 73 9.620 2.029 0.032 1.00 0.00 C ATOM 1097 O ASN A 73 9.591 0.866 0.434 1.00 0.00 O ATOM 1098 CB ASN A 73 9.307 4.226 1.187 1.00 0.00 C ATOM 1099 CG ASN A 73 9.892 5.268 2.121 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.046 5.168 2.536 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.095 6.276 2.456 1.00 0.00 N ATOM 0 H ASN A 73 11.377 4.674 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 73 10.680 2.680 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.977 4.710 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.424 3.783 1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.433 7.007 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.145 6.319 2.088 1.00 0.00 H new ATOM 1108 N ILE A 74 9.068 2.413 -1.114 1.00 0.00 N ATOM 1109 CA ILE A 74 8.382 1.467 -1.986 1.00 0.00 C ATOM 1110 C ILE A 74 9.162 0.162 -2.102 1.00 0.00 C ATOM 1111 O ILE A 74 8.673 -0.901 -1.720 1.00 0.00 O ATOM 1112 CB ILE A 74 8.169 2.052 -3.395 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.337 3.333 -3.318 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.496 1.028 -4.296 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.241 4.071 -4.635 1.00 0.00 C ATOM 0 H ILE A 74 9.082 3.372 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 74 7.410 1.268 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 74 9.141 2.299 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.332 3.084 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.773 3.996 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.352 1.455 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.124 0.141 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.529 0.753 -3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.637 4.969 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.240 4.351 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.777 3.426 -5.381 1.00 0.00 H new ATOM 1127 N ASN A 75 10.378 0.250 -2.630 1.00 0.00 N ATOM 1128 CA ASN A 75 11.227 -0.924 -2.796 1.00 0.00 C ATOM 1129 C ASN A 75 11.168 -1.817 -1.560 1.00 0.00 C ATOM 1130 O ASN A 75 10.840 -3.000 -1.651 1.00 0.00 O ATOM 1131 CB ASN A 75 12.673 -0.501 -3.064 1.00 0.00 C ATOM 1132 CG ASN A 75 12.959 -0.327 -4.543 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.109 -1.304 -5.277 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.037 0.922 -4.987 1.00 0.00 N ATOM 0 H ASN A 75 10.798 1.123 -2.950 1.00 0.00 H new ATOM 0 HA ASN A 75 10.857 -1.490 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.877 0.435 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.350 -1.249 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.228 1.102 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.906 1.702 -4.342 1.00 0.00 H new ATOM 1141 N ASP A 76 11.487 -1.241 -0.406 1.00 0.00 N ATOM 1142 CA ASP A 76 11.468 -1.983 0.850 1.00 0.00 C ATOM 1143 C ASP A 76 10.221 -2.856 0.947 1.00 0.00 C ATOM 1144 O ASP A 76 10.313 -4.077 1.082 1.00 0.00 O ATOM 1145 CB ASP A 76 11.526 -1.021 2.037 1.00 0.00 C ATOM 1146 CG ASP A 76 12.823 -0.238 2.085 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.841 -0.746 1.571 1.00 0.00 O ATOM 1148 OD2 ASP A 76 12.821 0.881 2.639 1.00 0.00 O ATOM 0 H ASP A 76 11.762 -0.263 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 76 12.345 -2.630 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.688 -0.327 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.410 -1.584 2.963 1.00 0.00 H new ATOM 1153 N PHE A 77 9.055 -2.223 0.877 1.00 0.00 N ATOM 1154 CA PHE A 77 7.788 -2.941 0.959 1.00 0.00 C ATOM 1155 C PHE A 77 7.824 -4.206 0.106 1.00 0.00 C ATOM 1156 O PHE A 77 7.451 -5.287 0.563 1.00 0.00 O ATOM 1157 CB PHE A 77 6.637 -2.041 0.508 1.00 0.00 C ATOM 1158 CG PHE A 77 5.345 -2.779 0.298 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.722 -3.424 1.354 1.00 0.00 C ATOM 1160 CD2 PHE A 77 4.756 -2.828 -0.955 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.533 -4.104 1.164 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.567 -3.506 -1.150 1.00 0.00 C ATOM 1163 CZ PHE A 77 2.956 -4.145 -0.090 1.00 0.00 C ATOM 0 H PHE A 77 8.961 -1.214 0.764 1.00 0.00 H new ATOM 0 HA PHE A 77 7.629 -3.229 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.483 -1.261 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.917 -1.544 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.170 -3.395 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.231 -2.331 -1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.056 -4.602 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.117 -3.536 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.028 -4.676 -0.241 1.00 0.00 H new ATOM 1173 N LEU A 78 8.276 -4.063 -1.135 1.00 0.00 N ATOM 1174 CA LEU A 78 8.360 -5.193 -2.053 1.00 0.00 C ATOM 1175 C LEU A 78 9.150 -6.341 -1.433 1.00 0.00 C ATOM 1176 O LEU A 78 8.762 -7.505 -1.538 1.00 0.00 O ATOM 1177 CB LEU A 78 9.015 -4.760 -3.367 1.00 0.00 C ATOM 1178 CG LEU A 78 8.288 -3.666 -4.150 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.210 -3.053 -5.192 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.034 -4.224 -4.807 1.00 0.00 C ATOM 0 H LEU A 78 8.590 -3.176 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 78 7.347 -5.541 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.025 -4.413 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.110 -5.636 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 78 7.991 -2.883 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.675 -2.277 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.078 -2.616 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.539 -3.826 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.529 -3.432 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.308 -5.026 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.365 -4.614 -4.040 1.00 0.00 H new ATOM 1192 N LYS A 79 10.260 -6.005 -0.783 1.00 0.00 N ATOM 1193 CA LYS A 79 11.104 -7.006 -0.142 1.00 0.00 C ATOM 1194 C LYS A 79 10.272 -7.942 0.730 1.00 0.00 C ATOM 1195 O LYS A 79 10.581 -9.125 0.858 1.00 0.00 O ATOM 1196 CB LYS A 79 12.183 -6.327 0.705 1.00 0.00 C ATOM 1197 CG LYS A 79 12.947 -5.245 -0.038 1.00 0.00 C ATOM 1198 CD LYS A 79 14.101 -4.708 0.793 1.00 0.00 C ATOM 1199 CE LYS A 79 15.329 -5.597 0.682 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.400 -5.186 1.632 1.00 0.00 N ATOM 0 H LYS A 79 10.596 -5.047 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 79 11.582 -7.596 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.718 -5.890 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.887 -7.082 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.329 -5.647 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.270 -4.430 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.350 -3.699 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.796 -4.636 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.047 -6.632 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.714 -5.559 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.220 -5.817 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.687 -4.207 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.042 -5.246 2.606 1.00 0.00 H new ATOM 1214 N GLY A 80 9.214 -7.402 1.327 1.00 0.00 N ATOM 1215 CA GLY A 80 8.353 -8.202 2.178 1.00 0.00 C ATOM 1216 C GLY A 80 7.281 -8.934 1.394 1.00 0.00 C ATOM 1217 O GLY A 80 6.895 -10.048 1.749 1.00 0.00 O ATOM 0 H GLY A 80 8.938 -6.424 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.958 -8.926 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.880 -7.558 2.920 1.00 0.00 H new ATOM 1221 N CYS A 81 6.798 -8.306 0.328 1.00 0.00 N ATOM 1222 CA CYS A 81 5.762 -8.904 -0.507 1.00 0.00 C ATOM 1223 C CYS A 81 6.239 -10.223 -1.105 1.00 0.00 C ATOM 1224 O CYS A 81 5.456 -11.155 -1.282 1.00 0.00 O ATOM 1225 CB CYS A 81 5.359 -7.940 -1.624 1.00 0.00 C ATOM 1226 SG CYS A 81 4.856 -6.304 -1.041 1.00 0.00 S ATOM 0 H CYS A 81 7.107 -7.383 0.021 1.00 0.00 H new ATOM 0 HA CYS A 81 4.894 -9.104 0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.197 -7.827 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.539 -8.380 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 81 3.558 -6.227 -1.030 1.00 0.00 H new ATOM 1232 N ALA A 82 7.530 -10.294 -1.416 1.00 0.00 N ATOM 1233 CA ALA A 82 8.112 -11.499 -1.994 1.00 0.00 C ATOM 1234 C ALA A 82 7.825 -12.718 -1.124 1.00 0.00 C ATOM 1235 O ALA A 82 7.877 -13.855 -1.594 1.00 0.00 O ATOM 1236 CB ALA A 82 9.611 -11.323 -2.182 1.00 0.00 C ATOM 0 H ALA A 82 8.192 -9.531 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 82 7.652 -11.664 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.032 -12.230 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.798 -10.482 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.079 -11.130 -1.216 1.00 0.00 H new ATOM 1242 N THR A 83 7.523 -12.475 0.148 1.00 0.00 N ATOM 1243 CA THR A 83 7.231 -13.553 1.084 1.00 0.00 C ATOM 1244 C THR A 83 5.841 -14.129 0.841 1.00 0.00 C ATOM 1245 O THR A 83 5.622 -15.332 0.990 1.00 0.00 O ATOM 1246 CB THR A 83 7.327 -13.071 2.544 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.700 -12.936 2.925 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.628 -14.043 3.482 1.00 0.00 C ATOM 0 H THR A 83 7.474 -11.540 0.553 1.00 0.00 H new ATOM 0 HA THR A 83 7.978 -14.329 0.916 1.00 0.00 H new ATOM 0 HB THR A 83 6.833 -12.102 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.753 -12.628 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.709 -13.681 4.507 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.576 -14.121 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.097 -15.024 3.405 1.00 0.00 H new ATOM 1256 N LEU A 84 4.904 -13.265 0.467 1.00 0.00 N ATOM 1257 CA LEU A 84 3.533 -13.689 0.202 1.00 0.00 C ATOM 1258 C LEU A 84 3.405 -14.274 -1.200 1.00 0.00 C ATOM 1259 O LEU A 84 2.418 -14.936 -1.519 1.00 0.00 O ATOM 1260 CB LEU A 84 2.574 -12.509 0.365 1.00 0.00 C ATOM 1261 CG LEU A 84 2.380 -11.993 1.791 1.00 0.00 C ATOM 1262 CD1 LEU A 84 1.881 -10.556 1.776 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.414 -12.887 2.555 1.00 0.00 C ATOM 0 H LEU A 84 5.068 -12.266 0.340 1.00 0.00 H new ATOM 0 HA LEU A 84 3.272 -14.464 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.935 -11.686 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.601 -12.801 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 84 3.344 -12.016 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.749 -10.206 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.609 -9.923 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.928 -10.507 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.288 -12.505 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.449 -12.897 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.812 -13.901 2.597 1.00 0.00 H new ATOM 1275 N GLN A 85 4.411 -14.027 -2.033 1.00 0.00 N ATOM 1276 CA GLN A 85 4.411 -14.531 -3.402 1.00 0.00 C ATOM 1277 C GLN A 85 3.224 -13.980 -4.184 1.00 0.00 C ATOM 1278 O GLN A 85 2.500 -14.727 -4.842 1.00 0.00 O ATOM 1279 CB GLN A 85 4.374 -16.060 -3.404 1.00 0.00 C ATOM 1280 CG GLN A 85 5.436 -16.696 -2.522 1.00 0.00 C ATOM 1281 CD GLN A 85 6.775 -16.824 -3.221 1.00 0.00 C ATOM 1282 OE1 GLN A 85 7.146 -17.903 -3.684 1.00 0.00 O ATOM 1283 NE2 GLN A 85 7.509 -15.721 -3.302 1.00 0.00 N ATOM 0 H GLN A 85 5.236 -13.481 -1.784 1.00 0.00 H new ATOM 0 HA GLN A 85 5.328 -14.196 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.391 -16.392 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.501 -16.417 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.558 -16.099 -1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.098 -17.684 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.163 -14.848 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.419 -15.747 -3.762 1.00 0.00 H new ATOM 1292 N VAL A 86 3.029 -12.667 -4.108 1.00 0.00 N ATOM 1293 CA VAL A 86 1.929 -12.016 -4.810 1.00 0.00 C ATOM 1294 C VAL A 86 2.449 -11.068 -5.886 1.00 0.00 C ATOM 1295 O VAL A 86 3.577 -10.585 -5.808 1.00 0.00 O ATOM 1296 CB VAL A 86 1.031 -11.228 -3.838 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.193 -12.178 -2.997 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.872 -10.320 -2.954 1.00 0.00 C ATOM 0 H VAL A 86 3.618 -12.034 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 86 1.340 -12.805 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 86 0.354 -10.603 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.435 -11.604 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.437 -12.782 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.850 -12.830 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.222 -9.771 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.574 -10.922 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.424 -9.615 -3.576 1.00 0.00 H new ATOM 1308 N GLU A 87 1.616 -10.808 -6.889 1.00 0.00 N ATOM 1309 CA GLU A 87 1.993 -9.918 -7.981 1.00 0.00 C ATOM 1310 C GLU A 87 2.651 -8.649 -7.447 1.00 0.00 C ATOM 1311 O GLU A 87 2.176 -8.050 -6.482 1.00 0.00 O ATOM 1312 CB GLU A 87 0.765 -9.555 -8.819 1.00 0.00 C ATOM 1313 CG GLU A 87 0.086 -10.755 -9.456 1.00 0.00 C ATOM 1314 CD GLU A 87 -0.975 -10.359 -10.464 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -0.622 -10.143 -11.643 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -2.158 -10.264 -10.075 1.00 0.00 O ATOM 0 H GLU A 87 0.678 -11.200 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 87 2.712 -10.442 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.046 -9.034 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.063 -8.859 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.837 -11.373 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.369 -11.366 -8.677 1.00 0.00 H new ATOM 1323 N ILE A 88 3.747 -8.246 -8.081 1.00 0.00 N ATOM 1324 CA ILE A 88 4.470 -7.049 -7.670 1.00 0.00 C ATOM 1325 C ILE A 88 4.411 -5.974 -8.750 1.00 0.00 C ATOM 1326 O ILE A 88 3.818 -6.175 -9.809 1.00 0.00 O ATOM 1327 CB ILE A 88 5.945 -7.363 -7.354 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.603 -8.073 -8.539 1.00 0.00 C ATOM 1329 CG2 ILE A 88 6.048 -8.213 -6.096 1.00 0.00 C ATOM 1330 CD1 ILE A 88 8.099 -7.861 -8.616 1.00 0.00 C ATOM 0 H ILE A 88 4.154 -8.731 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 88 3.984 -6.681 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 88 6.472 -6.425 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.399 -9.142 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.146 -7.719 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.096 -8.426 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.612 -7.673 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.510 -9.149 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.498 -8.393 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.311 -6.796 -8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.567 -8.241 -7.708 1.00 0.00 H new ATOM 1342 N PHE A 89 5.032 -4.832 -8.474 1.00 0.00 N ATOM 1343 CA PHE A 89 5.051 -3.724 -9.422 1.00 0.00 C ATOM 1344 C PHE A 89 6.367 -2.955 -9.334 1.00 0.00 C ATOM 1345 O PHE A 89 7.193 -3.217 -8.460 1.00 0.00 O ATOM 1346 CB PHE A 89 3.877 -2.779 -9.158 1.00 0.00 C ATOM 1347 CG PHE A 89 3.842 -2.244 -7.755 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.777 -1.314 -7.330 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.873 -2.671 -6.861 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.747 -0.820 -6.039 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.838 -2.180 -5.569 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.777 -1.254 -5.158 1.00 0.00 C ATOM 0 H PHE A 89 5.529 -4.650 -7.602 1.00 0.00 H new ATOM 0 HA PHE A 89 4.958 -4.137 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.930 -1.943 -9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.944 -3.305 -9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.538 -0.971 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.137 -3.395 -7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.482 -0.095 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.077 -2.520 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.752 -0.870 -4.149 1.00 0.00 H new ATOM 1362 N ASP A 90 6.553 -2.007 -10.245 1.00 0.00 N ATOM 1363 CA ASP A 90 7.767 -1.200 -10.272 1.00 0.00 C ATOM 1364 C ASP A 90 7.596 0.066 -9.437 1.00 0.00 C ATOM 1365 O ASP A 90 6.490 0.576 -9.258 1.00 0.00 O ATOM 1366 CB ASP A 90 8.129 -0.831 -11.711 1.00 0.00 C ATOM 1367 CG ASP A 90 8.658 -2.015 -12.496 1.00 0.00 C ATOM 1368 OD1 ASP A 90 9.335 -2.873 -11.892 1.00 0.00 O ATOM 1369 OD2 ASP A 90 8.395 -2.084 -13.715 1.00 0.00 O ATOM 0 H ASP A 90 5.878 -1.778 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 90 8.576 -1.791 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.248 -0.430 -12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.879 -0.040 -11.703 1.00 0.00 H new ATOM 1374 N PRO A 91 8.716 0.585 -8.913 1.00 0.00 N ATOM 1375 CA PRO A 91 8.717 1.797 -8.088 1.00 0.00 C ATOM 1376 C PRO A 91 8.398 3.049 -8.897 1.00 0.00 C ATOM 1377 O PRO A 91 8.173 4.122 -8.336 1.00 0.00 O ATOM 1378 CB PRO A 91 10.148 1.858 -7.548 1.00 0.00 C ATOM 1379 CG PRO A 91 10.962 1.113 -8.549 1.00 0.00 C ATOM 1380 CD PRO A 91 10.069 0.029 -9.085 1.00 0.00 C ATOM 0 HA PRO A 91 7.955 1.761 -7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.490 2.888 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.219 1.401 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.297 1.773 -9.349 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.855 0.691 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.284 -0.188 -10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.193 -0.903 -8.534 1.00 0.00 H new ATOM 1388 N ASP A 92 8.380 2.906 -10.218 1.00 0.00 N ATOM 1389 CA ASP A 92 8.088 4.026 -11.104 1.00 0.00 C ATOM 1390 C ASP A 92 6.596 4.098 -11.414 1.00 0.00 C ATOM 1391 O ASP A 92 6.034 5.184 -11.560 1.00 0.00 O ATOM 1392 CB ASP A 92 8.885 3.897 -12.403 1.00 0.00 C ATOM 1393 CG ASP A 92 9.139 5.239 -13.062 1.00 0.00 C ATOM 1394 OD1 ASP A 92 8.260 5.706 -13.815 1.00 0.00 O ATOM 1395 OD2 ASP A 92 10.218 5.822 -12.824 1.00 0.00 O ATOM 0 H ASP A 92 8.564 2.025 -10.698 1.00 0.00 H new ATOM 0 HA ASP A 92 8.381 4.945 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.838 3.412 -12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.344 3.252 -13.095 1.00 0.00 H new ATOM 1400 N ASP A 93 5.960 2.936 -11.513 1.00 0.00 N ATOM 1401 CA ASP A 93 4.533 2.867 -11.805 1.00 0.00 C ATOM 1402 C ASP A 93 3.719 3.531 -10.699 1.00 0.00 C ATOM 1403 O ASP A 93 2.641 4.073 -10.946 1.00 0.00 O ATOM 1404 CB ASP A 93 4.095 1.412 -11.975 1.00 0.00 C ATOM 1405 CG ASP A 93 4.691 0.768 -13.212 1.00 0.00 C ATOM 1406 OD1 ASP A 93 4.741 1.439 -14.264 1.00 0.00 O ATOM 1407 OD2 ASP A 93 5.108 -0.405 -13.127 1.00 0.00 O ATOM 0 H ASP A 93 6.410 2.028 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 93 4.352 3.404 -12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.390 0.842 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.008 1.368 -12.034 1.00 0.00 H new ATOM 1412 N LEU A 94 4.241 3.483 -9.478 1.00 0.00 N ATOM 1413 CA LEU A 94 3.563 4.079 -8.332 1.00 0.00 C ATOM 1414 C LEU A 94 4.052 5.503 -8.089 1.00 0.00 C ATOM 1415 O LEU A 94 3.255 6.435 -7.987 1.00 0.00 O ATOM 1416 CB LEU A 94 3.791 3.229 -7.081 1.00 0.00 C ATOM 1417 CG LEU A 94 3.175 3.760 -5.786 1.00 0.00 C ATOM 1418 CD1 LEU A 94 1.658 3.796 -5.892 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.609 2.911 -4.601 1.00 0.00 C ATOM 0 H LEU A 94 5.131 3.038 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 94 2.496 4.114 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.393 2.231 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.865 3.121 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 94 3.532 4.778 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.237 4.176 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.366 4.448 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.282 2.789 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.161 3.304 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.283 1.882 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.695 2.938 -4.513 1.00 0.00 H new ATOM 1431 N TYR A 95 5.368 5.664 -8.000 1.00 0.00 N ATOM 1432 CA TYR A 95 5.964 6.974 -7.769 1.00 0.00 C ATOM 1433 C TYR A 95 5.541 7.963 -8.851 1.00 0.00 C ATOM 1434 O TYR A 95 4.977 9.017 -8.559 1.00 0.00 O ATOM 1435 CB TYR A 95 7.489 6.864 -7.731 1.00 0.00 C ATOM 1436 CG TYR A 95 8.187 8.193 -7.543 1.00 0.00 C ATOM 1437 CD1 TYR A 95 8.007 8.937 -6.385 1.00 0.00 C ATOM 1438 CD2 TYR A 95 9.028 8.702 -8.525 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.642 10.152 -6.210 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.668 9.915 -8.358 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.472 10.636 -7.199 1.00 0.00 C ATOM 1442 OH TYR A 95 10.108 11.844 -7.028 1.00 0.00 O ATOM 0 H TYR A 95 6.042 4.903 -8.084 1.00 0.00 H new ATOM 0 HA TYR A 95 5.609 7.342 -6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.777 6.194 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.835 6.409 -8.659 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.359 8.560 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.184 8.140 -9.434 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.489 10.719 -5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.318 10.297 -9.131 1.00 0.00 H new ATOM 0 HH TYR A 95 10.913 11.871 -7.586 1.00 0.00 H new ATOM 1452 N SER A 96 5.817 7.614 -10.104 1.00 0.00 N ATOM 1453 CA SER A 96 5.469 8.471 -11.231 1.00 0.00 C ATOM 1454 C SER A 96 3.964 8.458 -11.479 1.00 0.00 C ATOM 1455 O SER A 96 3.329 9.508 -11.569 1.00 0.00 O ATOM 1456 CB SER A 96 6.209 8.017 -12.491 1.00 0.00 C ATOM 1457 OG SER A 96 7.610 7.994 -12.280 1.00 0.00 O ATOM 0 H SER A 96 6.281 6.743 -10.364 1.00 0.00 H new ATOM 0 HA SER A 96 5.771 9.490 -10.988 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.865 7.024 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.974 8.689 -13.317 1.00 0.00 H new ATOM 0 HG SER A 96 8.068 7.872 -13.138 1.00 0.00 H new ATOM 1463 N GLY A 97 3.398 7.259 -11.587 1.00 0.00 N ATOM 1464 CA GLY A 97 1.972 7.131 -11.824 1.00 0.00 C ATOM 1465 C GLY A 97 1.656 6.719 -13.248 1.00 0.00 C ATOM 1466 O GLY A 97 0.814 7.331 -13.906 1.00 0.00 O ATOM 0 H GLY A 97 3.902 6.375 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.557 6.395 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.484 8.081 -11.607 1.00 0.00 H new ATOM 1470 N VAL A 98 2.332 5.679 -13.726 1.00 0.00 N ATOM 1471 CA VAL A 98 2.119 5.187 -15.082 1.00 0.00 C ATOM 1472 C VAL A 98 1.082 4.070 -15.104 1.00 0.00 C ATOM 1473 O VAL A 98 0.154 4.087 -15.911 1.00 0.00 O ATOM 1474 CB VAL A 98 3.429 4.668 -15.703 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.171 4.084 -17.083 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.464 5.781 -15.770 1.00 0.00 C ATOM 0 H VAL A 98 3.032 5.161 -13.194 1.00 0.00 H new ATOM 0 HA VAL A 98 1.755 6.029 -15.671 1.00 0.00 H new ATOM 0 HB VAL A 98 3.823 3.875 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.108 3.722 -17.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.466 3.256 -17.002 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.753 4.854 -17.732 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.384 5.397 -16.211 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.081 6.597 -16.382 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.670 6.147 -14.764 1.00 0.00 H new ATOM 1486 N ASN A 99 1.246 3.100 -14.210 1.00 0.00 N ATOM 1487 CA ASN A 99 0.323 1.973 -14.126 1.00 0.00 C ATOM 1488 C ASN A 99 -0.064 1.694 -12.677 1.00 0.00 C ATOM 1489 O ASN A 99 0.738 1.180 -11.897 1.00 0.00 O ATOM 1490 CB ASN A 99 0.952 0.725 -14.748 1.00 0.00 C ATOM 1491 CG ASN A 99 0.800 0.691 -16.257 1.00 0.00 C ATOM 1492 OD1 ASN A 99 0.861 1.726 -16.921 1.00 0.00 O ATOM 1493 ND2 ASN A 99 0.600 -0.502 -16.805 1.00 0.00 N ATOM 0 H ASN A 99 2.009 3.071 -13.534 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.579 2.231 -14.681 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.011 0.689 -14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.489 -0.164 -14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.490 -0.587 -17.815 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.557 -1.333 -16.215 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.299 2.034 -12.324 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.793 1.820 -10.969 1.00 0.00 C ATOM 1502 C PHE A 100 -2.575 0.513 -10.875 1.00 0.00 C ATOM 1503 O PHE A 100 -2.643 -0.107 -9.814 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.680 2.990 -10.536 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.172 2.877 -9.122 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.277 2.795 -8.067 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.530 2.854 -8.847 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.728 2.691 -6.765 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.987 2.751 -7.546 1.00 0.00 C ATOM 1510 CZ PHE A 100 -4.084 2.670 -6.504 1.00 0.00 C ATOM 0 H PHE A 100 -1.976 2.459 -12.958 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.934 1.758 -10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.121 3.919 -10.645 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.537 3.054 -11.207 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.215 2.813 -8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.240 2.917 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.020 2.626 -5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.048 2.734 -7.345 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.438 2.590 -5.487 1.00 0.00 H new ATOM 1520 N SER A 101 -3.163 0.101 -11.994 1.00 0.00 N ATOM 1521 CA SER A 101 -3.944 -1.130 -12.038 1.00 0.00 C ATOM 1522 C SER A 101 -3.164 -2.290 -11.427 1.00 0.00 C ATOM 1523 O SER A 101 -3.747 -3.260 -10.943 1.00 0.00 O ATOM 1524 CB SER A 101 -4.330 -1.463 -13.480 1.00 0.00 C ATOM 1525 OG SER A 101 -3.243 -2.046 -14.177 1.00 0.00 O ATOM 0 H SER A 101 -3.113 0.601 -12.882 1.00 0.00 H new ATOM 0 HA SER A 101 -4.851 -0.977 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.178 -2.148 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.650 -0.556 -13.993 1.00 0.00 H new ATOM 0 HG SER A 101 -3.516 -2.251 -15.096 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.840 -2.184 -11.454 1.00 0.00 N ATOM 1532 CA LYS A 102 -0.977 -3.222 -10.903 1.00 0.00 C ATOM 1533 C LYS A 102 -0.734 -2.994 -9.414 1.00 0.00 C ATOM 1534 O LYS A 102 -0.763 -3.934 -8.620 1.00 0.00 O ATOM 1535 CB LYS A 102 0.359 -3.252 -11.649 1.00 0.00 C ATOM 1536 CG LYS A 102 0.211 -3.295 -13.160 1.00 0.00 C ATOM 1537 CD LYS A 102 1.524 -2.985 -13.859 1.00 0.00 C ATOM 1538 CE LYS A 102 2.572 -4.050 -13.573 1.00 0.00 C ATOM 1539 NZ LYS A 102 3.303 -3.782 -12.304 1.00 0.00 N ATOM 0 H LYS A 102 -1.341 -1.389 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.479 -4.181 -11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.939 -2.371 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.928 -4.123 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.140 -4.281 -13.464 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.547 -2.577 -13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.358 -2.916 -14.934 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.892 -2.013 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.091 -5.027 -13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.282 -4.092 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.327 -3.823 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.050 -2.837 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.043 -4.498 -11.596 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.495 -1.740 -9.043 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.250 -1.389 -7.650 1.00 0.00 C ATOM 1555 C VAL A 103 -1.452 -1.734 -6.777 1.00 0.00 C ATOM 1556 O VAL A 103 -1.301 -2.268 -5.677 1.00 0.00 O ATOM 1557 CB VAL A 103 0.068 0.110 -7.496 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.283 0.464 -6.032 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.286 0.484 -8.328 1.00 0.00 C ATOM 0 H VAL A 103 -0.466 -0.951 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 103 0.612 -1.971 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.784 0.683 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.507 1.527 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.620 0.235 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.117 -0.116 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.497 1.547 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.146 -0.096 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.089 0.270 -9.378 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.645 -1.426 -7.273 1.00 0.00 N ATOM 1570 CA LEU A 104 -3.874 -1.704 -6.538 1.00 0.00 C ATOM 1571 C LEU A 104 -4.051 -3.204 -6.321 1.00 0.00 C ATOM 1572 O LEU A 104 -4.421 -3.644 -5.232 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.080 -1.141 -7.292 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.422 -1.216 -6.563 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.502 -0.152 -5.480 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.573 -1.066 -7.547 1.00 0.00 C ATOM 0 H LEU A 104 -2.788 -0.984 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.803 -1.220 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.878 -0.097 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.173 -1.674 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.501 -2.194 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.464 -0.221 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.699 -0.306 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.400 0.835 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.520 -1.122 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.498 -0.102 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.527 -1.866 -8.286 1.00 0.00 H new ATOM 1588 N SER A 105 -3.782 -3.983 -7.363 1.00 0.00 N ATOM 1589 CA SER A 105 -3.913 -5.434 -7.287 1.00 0.00 C ATOM 1590 C SER A 105 -2.901 -6.020 -6.308 1.00 0.00 C ATOM 1591 O SER A 105 -3.268 -6.690 -5.343 1.00 0.00 O ATOM 1592 CB SER A 105 -3.722 -6.058 -8.671 1.00 0.00 C ATOM 1593 OG SER A 105 -4.352 -5.278 -9.673 1.00 0.00 O ATOM 0 H SER A 105 -3.472 -3.634 -8.270 1.00 0.00 H new ATOM 0 HA SER A 105 -4.916 -5.665 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.658 -6.146 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.134 -7.067 -8.679 1.00 0.00 H new ATOM 0 HG SER A 105 -3.725 -4.602 -10.004 1.00 0.00 H new ATOM 1599 N THR A 106 -1.622 -5.762 -6.564 1.00 0.00 N ATOM 1600 CA THR A 106 -0.555 -6.264 -5.708 1.00 0.00 C ATOM 1601 C THR A 106 -0.963 -6.224 -4.240 1.00 0.00 C ATOM 1602 O THR A 106 -0.662 -7.142 -3.476 1.00 0.00 O ATOM 1603 CB THR A 106 0.741 -5.452 -5.890 1.00 0.00 C ATOM 1604 OG1 THR A 106 1.292 -5.693 -7.190 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.763 -5.817 -4.825 1.00 0.00 C ATOM 0 H THR A 106 -1.300 -5.208 -7.358 1.00 0.00 H new ATOM 0 HA THR A 106 -0.373 -7.297 -6.004 1.00 0.00 H new ATOM 0 HB THR A 106 0.498 -4.394 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.973 -6.395 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.670 -5.231 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.352 -5.604 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.001 -6.878 -4.898 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.652 -5.157 -3.851 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.103 -4.998 -2.473 1.00 0.00 C ATOM 1615 C LEU A 107 -3.351 -5.834 -2.209 1.00 0.00 C ATOM 1616 O LEU A 107 -3.490 -6.444 -1.147 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.390 -3.525 -2.176 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.167 -2.623 -2.012 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.568 -1.158 -2.097 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.465 -2.910 -0.693 1.00 0.00 C ATOM 0 H LEU A 107 -1.911 -4.389 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.308 -5.347 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.005 -3.126 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.984 -3.468 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.472 -2.836 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.684 -0.531 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.024 -0.961 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.283 -0.930 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.403 -2.259 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.153 -2.727 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.142 -3.951 -0.672 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.256 -5.860 -3.181 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.493 -6.624 -3.055 1.00 0.00 C ATOM 1634 C LEU A 108 -5.206 -8.056 -2.616 1.00 0.00 C ATOM 1635 O LEU A 108 -5.837 -8.572 -1.694 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.250 -6.628 -4.384 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.205 -5.457 -4.615 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.560 -5.341 -6.090 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.462 -5.619 -3.773 1.00 0.00 C ATOM 0 H LEU A 108 -4.157 -5.361 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.110 -6.147 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.521 -6.642 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.820 -7.555 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.704 -4.539 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.241 -4.502 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.652 -5.177 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.042 -6.261 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.130 -4.776 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.966 -6.546 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.191 -5.651 -2.718 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.247 -8.693 -3.281 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.874 -10.064 -2.957 1.00 0.00 C ATOM 1653 C ALA A 109 -3.392 -10.175 -1.514 1.00 0.00 C ATOM 1654 O ALA A 109 -3.937 -10.947 -0.725 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.799 -10.559 -3.914 1.00 0.00 C ATOM 0 H ALA A 109 -3.715 -8.281 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.759 -10.691 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.530 -11.584 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.178 -10.525 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.918 -9.922 -3.833 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.367 -9.399 -1.176 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.813 -9.410 0.173 1.00 0.00 C ATOM 1663 C VAL A 110 -2.916 -9.334 1.222 1.00 0.00 C ATOM 1664 O VAL A 110 -2.853 -10.001 2.253 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.834 -8.240 0.386 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.392 -8.173 1.840 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.366 -8.373 -0.539 1.00 0.00 C ATOM 0 H VAL A 110 -1.904 -8.755 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.274 -10.351 0.286 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.348 -7.310 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.299 -7.341 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.263 -8.026 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.105 -9.104 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.047 -7.538 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.884 -9.309 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.029 -8.367 -1.576 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.928 -8.516 0.950 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.047 -8.352 1.871 1.00 0.00 C ATOM 1679 C ASN A 111 -5.836 -9.651 2.005 1.00 0.00 C ATOM 1680 O ASN A 111 -6.329 -9.983 3.083 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.968 -7.229 1.391 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.402 -7.423 1.848 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.261 -7.841 1.071 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.666 -7.119 3.113 1.00 0.00 N ATOM 0 H ASN A 111 -3.996 -7.957 0.100 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.645 -8.090 2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.597 -6.274 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.940 -7.180 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.612 -7.229 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.922 -6.776 3.721 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.951 -10.383 0.902 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.678 -11.646 0.894 1.00 0.00 C ATOM 1693 C LYS A 112 -5.888 -12.733 1.615 1.00 0.00 C ATOM 1694 O LYS A 112 -6.463 -13.599 2.274 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.970 -12.082 -0.544 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.235 -11.469 -1.120 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.481 -12.049 -0.472 1.00 0.00 C ATOM 1698 CE LYS A 112 -10.703 -11.879 -1.361 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.664 -12.791 -2.538 1.00 0.00 N ATOM 0 H LYS A 112 -5.549 -10.122 0.001 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.621 -11.497 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.124 -11.811 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.056 -13.168 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.217 -10.389 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.268 -11.644 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.325 -13.108 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.656 -11.559 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.605 -12.074 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.762 -10.846 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.611 -12.848 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.990 -12.424 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.364 -13.739 -2.233 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.566 -12.682 1.485 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.697 -13.660 2.127 1.00 0.00 C ATOM 1715 C ALA A 113 -3.657 -13.452 3.638 1.00 0.00 C ATOM 1716 O ALA A 113 -3.599 -14.412 4.406 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.293 -13.582 1.545 1.00 0.00 C ATOM 0 H ALA A 113 -4.074 -11.974 0.941 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.104 -14.652 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.655 -14.318 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.331 -13.788 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.886 -12.584 1.708 1.00 0.00 H new ATOM 1723 N THR A 114 -3.690 -12.191 4.058 1.00 0.00 N ATOM 1724 CA THR A 114 -3.656 -11.857 5.476 1.00 0.00 C ATOM 1725 C THR A 114 -4.929 -12.313 6.179 1.00 0.00 C ATOM 1726 O THR A 114 -4.874 -12.930 7.242 1.00 0.00 O ATOM 1727 CB THR A 114 -3.478 -10.342 5.692 1.00 0.00 C ATOM 1728 OG1 THR A 114 -4.414 -9.619 4.884 1.00 0.00 O ATOM 1729 CG2 THR A 114 -2.062 -9.908 5.347 1.00 0.00 C ATOM 0 H THR A 114 -3.740 -11.384 3.436 1.00 0.00 H new ATOM 0 HA THR A 114 -2.801 -12.381 5.904 1.00 0.00 H new ATOM 0 HB THR A 114 -3.661 -10.124 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.080 -10.239 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.961 -8.835 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.354 -10.438 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.855 -10.140 4.302 1.00 0.00 H new