USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 79 THR OG1 : rot 160:sc= 0.00159 USER MOD Set 1.2: A 84 HIS : no HE2:sc= -10.5! C(o=-11!,f=-11!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 CYS SG : rot -170:sc= -0.0218 USER MOD Set 2.3: A 74 THR OG1 : rot 46:sc= -1.99! USER MOD Set 3.1: A 38 SER OG : rot -79:sc= 1.69 USER MOD Set 3.2: A 40 CYS SG : rot -113:sc= 2.26! USER MOD Set 3.3: A 42 SER OG : rot 51:sc= 0.571 USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.404 USER MOD Single : A 8 HIS : no HE2:sc= -16.9! C(o=-17!,f=-18!) USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= -0.0119 (180deg=-0.444) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0513) USER MOD Single : A 37 HIS : no HD1:sc= -0.632 K(o=-0.63,f=-0.11) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0105 (180deg=-0.0721) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.73) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0743) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.826 -1.982 1.320 1.00 0.00 N ATOM 36 CA THR A 3 -15.444 -1.835 1.856 1.00 0.00 C ATOM 37 C THR A 3 -14.509 -2.848 1.186 1.00 0.00 C ATOM 38 O THR A 3 -14.938 -3.880 0.707 1.00 0.00 O ATOM 39 CB THR A 3 -15.564 -2.121 3.354 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.255 -3.348 3.546 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.335 -0.986 4.032 1.00 0.00 C ATOM 0 HA THR A 3 -15.030 -0.845 1.665 1.00 0.00 H new ATOM 0 HB THR A 3 -14.568 -2.192 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.941 -3.449 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.420 -1.191 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.804 -0.046 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.331 -0.912 3.596 1.00 0.00 H new ATOM 49 N ALA A 4 -13.233 -2.573 1.170 1.00 0.00 N ATOM 50 CA ALA A 4 -12.268 -3.528 0.555 1.00 0.00 C ATOM 51 C ALA A 4 -11.117 -3.794 1.527 1.00 0.00 C ATOM 52 O ALA A 4 -10.867 -3.018 2.428 1.00 0.00 O ATOM 53 CB ALA A 4 -11.758 -2.823 -0.703 1.00 0.00 C ATOM 0 H ALA A 4 -12.817 -1.726 1.557 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.723 -4.491 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.040 -3.465 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.596 -2.615 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.274 -1.887 -0.425 1.00 0.00 H new ATOM 59 N ALA A 5 -10.402 -4.873 1.347 1.00 0.00 N ATOM 60 CA ALA A 5 -9.257 -5.159 2.261 1.00 0.00 C ATOM 61 C ALA A 5 -7.961 -4.647 1.633 1.00 0.00 C ATOM 62 O ALA A 5 -7.728 -4.827 0.458 1.00 0.00 O ATOM 63 CB ALA A 5 -9.228 -6.681 2.401 1.00 0.00 C ATOM 0 H ALA A 5 -10.559 -5.564 0.613 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.361 -4.671 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.410 -6.970 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.173 -7.026 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.081 -7.134 1.420 1.00 0.00 H new ATOM 69 N ALA A 6 -7.208 -3.857 2.348 1.00 0.00 N ATOM 70 CA ALA A 6 -6.051 -3.176 1.693 1.00 0.00 C ATOM 71 C ALA A 6 -4.783 -3.266 2.553 1.00 0.00 C ATOM 72 O ALA A 6 -4.757 -2.817 3.682 1.00 0.00 O ATOM 73 CB ALA A 6 -6.496 -1.720 1.548 1.00 0.00 C ATOM 0 H ALA A 6 -7.338 -3.655 3.339 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.798 -3.638 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.703 -1.143 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.395 -1.674 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.708 -1.304 2.533 1.00 0.00 H new ATOM 79 N LEU A 7 -3.684 -3.661 1.956 1.00 0.00 N ATOM 80 CA LEU A 7 -2.371 -3.561 2.665 1.00 0.00 C ATOM 81 C LEU A 7 -1.602 -2.348 2.138 1.00 0.00 C ATOM 82 O LEU A 7 -1.770 -1.955 1.000 1.00 0.00 O ATOM 83 CB LEU A 7 -1.627 -4.855 2.333 1.00 0.00 C ATOM 84 CG LEU A 7 -2.433 -6.054 2.835 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.589 -7.324 2.702 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.806 -5.839 4.304 1.00 0.00 C ATOM 0 H LEU A 7 -3.640 -4.047 1.013 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.487 -3.436 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.474 -4.932 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.640 -4.848 2.796 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.342 -6.157 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.161 -8.180 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.323 -7.476 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.681 -7.221 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.380 -6.693 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.898 -5.737 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.405 -4.933 4.398 1.00 0.00 H new ATOM 98 N HIS A 8 -0.822 -1.699 2.962 1.00 0.00 N ATOM 99 CA HIS A 8 -0.137 -0.460 2.488 1.00 0.00 C ATOM 100 C HIS A 8 1.267 -0.338 3.079 1.00 0.00 C ATOM 101 O HIS A 8 1.433 -0.267 4.281 1.00 0.00 O ATOM 102 CB HIS A 8 -1.005 0.702 2.982 1.00 0.00 C ATOM 103 CG HIS A 8 -2.313 0.726 2.241 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.652 1.764 1.389 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.376 -0.141 2.219 1.00 0.00 C ATOM 106 CE1 HIS A 8 -3.873 1.500 0.895 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.360 0.351 1.367 1.00 0.00 N ATOM 0 H HIS A 8 -0.631 -1.967 3.927 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.024 -0.469 1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.187 0.600 4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.479 1.646 2.836 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.079 2.580 1.175 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.439 -1.063 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.397 2.140 0.200 1.00 0.00 H new ATOM 115 N ILE A 9 2.224 -0.017 2.253 1.00 0.00 N ATOM 116 CA ILE A 9 3.534 0.445 2.796 1.00 0.00 C ATOM 117 C ILE A 9 3.830 1.862 2.298 1.00 0.00 C ATOM 118 O ILE A 9 3.824 2.130 1.112 1.00 0.00 O ATOM 119 CB ILE A 9 4.584 -0.538 2.274 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.286 -1.945 2.800 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.968 -0.092 2.752 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.198 -2.953 2.096 1.00 0.00 C ATOM 0 H ILE A 9 2.158 -0.054 1.236 1.00 0.00 H new ATOM 0 HA ILE A 9 3.533 0.473 3.886 1.00 0.00 H new ATOM 0 HB ILE A 9 4.558 -0.554 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.445 -1.984 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.241 -2.198 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.722 -0.788 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.180 0.907 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.989 -0.077 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.988 -3.956 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.016 -2.920 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.240 -2.702 2.296 1.00 0.00 H new ATOM 134 N LEU A 10 4.091 2.765 3.201 1.00 0.00 N ATOM 135 CA LEU A 10 4.400 4.168 2.803 1.00 0.00 C ATOM 136 C LEU A 10 5.908 4.411 2.899 1.00 0.00 C ATOM 137 O LEU A 10 6.499 4.279 3.952 1.00 0.00 O ATOM 138 CB LEU A 10 3.657 5.039 3.822 1.00 0.00 C ATOM 139 CG LEU A 10 3.466 6.461 3.276 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.172 7.411 4.439 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.732 6.930 2.551 1.00 0.00 C ATOM 0 H LEU A 10 4.104 2.590 4.206 1.00 0.00 H new ATOM 0 HA LEU A 10 4.098 4.388 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.687 4.597 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.217 5.074 4.756 1.00 0.00 H new ATOM 0 HG LEU A 10 2.634 6.460 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.035 8.423 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.264 7.091 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.007 7.397 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.580 7.940 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.572 6.927 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.946 6.257 1.721 1.00 0.00 H new ATOM 153 N VAL A 11 6.532 4.785 1.819 1.00 0.00 N ATOM 154 CA VAL A 11 8.000 5.056 1.872 1.00 0.00 C ATOM 155 C VAL A 11 8.271 6.557 1.733 1.00 0.00 C ATOM 156 O VAL A 11 7.903 7.178 0.756 1.00 0.00 O ATOM 157 CB VAL A 11 8.618 4.304 0.689 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.098 4.048 0.977 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.906 2.963 0.478 1.00 0.00 C ATOM 0 H VAL A 11 6.096 4.915 0.906 1.00 0.00 H new ATOM 0 HA VAL A 11 8.425 4.731 2.821 1.00 0.00 H new ATOM 0 HB VAL A 11 8.509 4.908 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.544 3.513 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.612 4.999 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.194 3.449 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.357 2.441 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.004 2.354 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.850 3.140 0.273 1.00 0.00 H new ATOM 169 N LYS A 12 8.986 7.119 2.666 1.00 0.00 N ATOM 170 CA LYS A 12 9.375 8.555 2.555 1.00 0.00 C ATOM 171 C LYS A 12 10.359 8.755 1.398 1.00 0.00 C ATOM 172 O LYS A 12 10.341 9.767 0.726 1.00 0.00 O ATOM 173 CB LYS A 12 10.050 8.881 3.889 1.00 0.00 C ATOM 174 CG LYS A 12 10.505 10.343 3.896 1.00 0.00 C ATOM 175 CD LYS A 12 9.294 11.263 3.734 1.00 0.00 C ATOM 176 CE LYS A 12 9.744 12.720 3.863 1.00 0.00 C ATOM 177 NZ LYS A 12 9.948 12.930 5.324 1.00 0.00 N ATOM 0 H LYS A 12 9.320 6.645 3.505 1.00 0.00 H new ATOM 0 HA LYS A 12 8.519 9.199 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.357 8.702 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.905 8.224 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.022 10.568 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.216 10.516 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.826 11.100 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.545 11.033 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.663 12.900 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.992 13.402 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.354 13.720 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.685 12.066 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.948 13.151 5.507 1.00 0.00 H new ATOM 191 N GLU A 13 11.281 7.846 1.228 1.00 0.00 N ATOM 192 CA GLU A 13 12.337 8.042 0.192 1.00 0.00 C ATOM 193 C GLU A 13 12.122 7.102 -0.992 1.00 0.00 C ATOM 194 O GLU A 13 11.939 5.911 -0.831 1.00 0.00 O ATOM 195 CB GLU A 13 13.649 7.711 0.898 1.00 0.00 C ATOM 196 CG GLU A 13 13.991 8.831 1.878 1.00 0.00 C ATOM 197 CD GLU A 13 15.268 8.469 2.638 1.00 0.00 C ATOM 198 OE1 GLU A 13 15.704 7.336 2.518 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.789 9.331 3.326 1.00 0.00 O ATOM 0 H GLU A 13 11.349 6.978 1.760 1.00 0.00 H new ATOM 0 HA GLU A 13 12.325 9.055 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.561 6.763 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.449 7.595 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.128 9.770 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.169 8.981 2.577 1.00 0.00 H new ATOM 206 N GLU A 14 12.277 7.610 -2.181 1.00 0.00 N ATOM 207 CA GLU A 14 12.229 6.725 -3.382 1.00 0.00 C ATOM 208 C GLU A 14 13.331 5.664 -3.299 1.00 0.00 C ATOM 209 O GLU A 14 13.124 4.513 -3.630 1.00 0.00 O ATOM 210 CB GLU A 14 12.464 7.649 -4.579 1.00 0.00 C ATOM 211 CG GLU A 14 11.231 8.529 -4.806 1.00 0.00 C ATOM 212 CD GLU A 14 11.502 9.491 -5.964 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.605 9.465 -6.485 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.602 10.240 -6.309 1.00 0.00 O ATOM 0 H GLU A 14 12.435 8.599 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 14 11.279 6.196 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.340 8.273 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.669 7.058 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.363 7.908 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.998 9.089 -3.900 1.00 0.00 H new ATOM 221 N LYS A 15 14.502 6.042 -2.860 1.00 0.00 N ATOM 222 CA LYS A 15 15.615 5.052 -2.761 1.00 0.00 C ATOM 223 C LYS A 15 15.223 3.898 -1.839 1.00 0.00 C ATOM 224 O LYS A 15 15.452 2.745 -2.145 1.00 0.00 O ATOM 225 CB LYS A 15 16.797 5.827 -2.179 1.00 0.00 C ATOM 226 CG LYS A 15 17.410 6.717 -3.262 1.00 0.00 C ATOM 227 CD LYS A 15 18.591 7.491 -2.676 1.00 0.00 C ATOM 228 CE LYS A 15 19.338 8.211 -3.799 1.00 0.00 C ATOM 229 NZ LYS A 15 20.493 8.871 -3.128 1.00 0.00 N ATOM 0 H LYS A 15 14.736 6.990 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 15 15.856 4.614 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.467 6.436 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.546 5.134 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.742 6.109 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.661 7.410 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.237 8.213 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.264 6.809 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.673 7.510 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.698 8.942 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.056 9.387 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.143 9.537 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.087 8.150 -2.671 1.00 0.00 H new ATOM 243 N LEU A 16 14.560 4.187 -0.753 1.00 0.00 N ATOM 244 CA LEU A 16 14.077 3.088 0.126 1.00 0.00 C ATOM 245 C LEU A 16 12.977 2.313 -0.602 1.00 0.00 C ATOM 246 O LEU A 16 12.935 1.098 -0.576 1.00 0.00 O ATOM 247 CB LEU A 16 13.529 3.777 1.377 1.00 0.00 C ATOM 248 CG LEU A 16 13.402 2.752 2.508 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.851 3.388 3.826 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.945 2.301 2.630 1.00 0.00 C ATOM 0 H LEU A 16 14.334 5.131 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 16 14.861 2.377 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.192 4.588 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.557 4.222 1.164 1.00 0.00 H new ATOM 0 HG LEU A 16 14.031 1.890 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.761 2.659 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.890 3.708 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.223 4.251 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.856 1.572 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.315 3.163 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.625 1.847 1.692 1.00 0.00 H new ATOM 262 N ALA A 17 12.141 3.007 -1.328 1.00 0.00 N ATOM 263 CA ALA A 17 11.106 2.313 -2.149 1.00 0.00 C ATOM 264 C ALA A 17 11.775 1.361 -3.145 1.00 0.00 C ATOM 265 O ALA A 17 11.389 0.216 -3.273 1.00 0.00 O ATOM 266 CB ALA A 17 10.376 3.435 -2.887 1.00 0.00 C ATOM 0 H ALA A 17 12.130 4.025 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 17 10.427 1.713 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.595 3.009 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.928 4.115 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.084 3.982 -3.509 1.00 0.00 H new ATOM 272 N LEU A 18 12.816 1.802 -3.800 1.00 0.00 N ATOM 273 CA LEU A 18 13.550 0.889 -4.723 1.00 0.00 C ATOM 274 C LEU A 18 14.085 -0.311 -3.940 1.00 0.00 C ATOM 275 O LEU A 18 13.913 -1.449 -4.332 1.00 0.00 O ATOM 276 CB LEU A 18 14.704 1.727 -5.281 1.00 0.00 C ATOM 277 CG LEU A 18 14.477 2.001 -6.772 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.386 3.510 -7.008 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.648 1.430 -7.578 1.00 0.00 C ATOM 0 H LEU A 18 13.188 2.750 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 18 12.915 0.500 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.778 2.668 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.648 1.202 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 18 13.548 1.528 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.225 3.703 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.554 3.919 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.314 3.985 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.488 1.624 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 18 16.576 1.904 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.714 0.355 -7.412 1.00 0.00 H new ATOM 291 N ASP A 19 14.621 -0.069 -2.777 1.00 0.00 N ATOM 292 CA ASP A 19 15.036 -1.197 -1.897 1.00 0.00 C ATOM 293 C ASP A 19 13.822 -2.066 -1.567 1.00 0.00 C ATOM 294 O ASP A 19 13.893 -3.278 -1.536 1.00 0.00 O ATOM 295 CB ASP A 19 15.558 -0.527 -0.629 1.00 0.00 C ATOM 296 CG ASP A 19 16.169 -1.581 0.295 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.999 -2.756 0.015 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.797 -1.196 1.268 1.00 0.00 O ATOM 0 H ASP A 19 14.790 0.862 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 19 15.783 -1.839 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.305 0.224 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.746 -0.009 -0.119 1.00 0.00 H new ATOM 303 N LEU A 20 12.705 -1.440 -1.315 1.00 0.00 N ATOM 304 CA LEU A 20 11.470 -2.196 -0.979 1.00 0.00 C ATOM 305 C LEU A 20 11.040 -3.059 -2.174 1.00 0.00 C ATOM 306 O LEU A 20 10.881 -4.259 -2.068 1.00 0.00 O ATOM 307 CB LEU A 20 10.449 -1.091 -0.666 1.00 0.00 C ATOM 308 CG LEU A 20 9.036 -1.533 -1.053 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.037 -1.032 -0.012 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.678 -0.943 -2.415 1.00 0.00 C ATOM 0 H LEU A 20 12.597 -0.426 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 20 11.588 -2.889 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.481 -0.850 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.712 -0.182 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 20 8.998 -2.621 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.032 -1.348 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.290 -1.446 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.075 0.056 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.672 -1.256 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.718 0.145 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.388 -1.296 -3.163 1.00 0.00 H new ATOM 322 N LEU A 21 10.861 -2.446 -3.307 1.00 0.00 N ATOM 323 CA LEU A 21 10.454 -3.206 -4.523 1.00 0.00 C ATOM 324 C LEU A 21 11.444 -4.343 -4.778 1.00 0.00 C ATOM 325 O LEU A 21 11.078 -5.422 -5.200 1.00 0.00 O ATOM 326 CB LEU A 21 10.515 -2.185 -5.666 1.00 0.00 C ATOM 327 CG LEU A 21 9.218 -1.369 -5.717 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.521 0.102 -5.407 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.606 -1.476 -7.115 1.00 0.00 C ATOM 0 H LEU A 21 10.980 -1.443 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 21 9.464 -3.651 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.367 -1.520 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.667 -2.699 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 21 8.517 -1.758 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.597 0.679 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.959 0.181 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.223 0.492 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.684 -0.897 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.310 -1.087 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.388 -2.520 -7.338 1.00 0.00 H new ATOM 341 N GLU A 22 12.704 -4.079 -4.582 1.00 0.00 N ATOM 342 CA GLU A 22 13.743 -5.111 -4.874 1.00 0.00 C ATOM 343 C GLU A 22 13.525 -6.358 -4.014 1.00 0.00 C ATOM 344 O GLU A 22 13.603 -7.474 -4.490 1.00 0.00 O ATOM 345 CB GLU A 22 15.074 -4.444 -4.525 1.00 0.00 C ATOM 346 CG GLU A 22 16.224 -5.397 -4.859 1.00 0.00 C ATOM 347 CD GLU A 22 17.557 -4.664 -4.698 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.528 -3.487 -4.375 1.00 0.00 O ATOM 349 OE2 GLU A 22 18.584 -5.290 -4.900 1.00 0.00 O ATOM 0 H GLU A 22 13.063 -3.191 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 22 13.709 -5.440 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.184 -3.514 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.097 -4.186 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.193 -6.266 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.120 -5.765 -5.880 1.00 0.00 H new ATOM 356 N GLN A 23 13.347 -6.182 -2.733 1.00 0.00 N ATOM 357 CA GLN A 23 13.236 -7.361 -1.824 1.00 0.00 C ATOM 358 C GLN A 23 12.026 -8.215 -2.205 1.00 0.00 C ATOM 359 O GLN A 23 12.065 -9.429 -2.141 1.00 0.00 O ATOM 360 CB GLN A 23 13.048 -6.768 -0.429 1.00 0.00 C ATOM 361 CG GLN A 23 14.282 -5.949 -0.049 1.00 0.00 C ATOM 362 CD GLN A 23 15.502 -6.867 0.033 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.581 -7.720 0.895 1.00 0.00 O ATOM 364 NE2 GLN A 23 16.466 -6.728 -0.836 1.00 0.00 N ATOM 0 H GLN A 23 13.274 -5.273 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 23 14.112 -8.007 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.160 -6.137 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.890 -7.565 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.453 -5.166 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.122 -5.454 0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.401 -6.012 -1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.285 -7.335 -0.791 1.00 0.00 H new ATOM 373 N ILE A 24 10.934 -7.590 -2.549 1.00 0.00 N ATOM 374 CA ILE A 24 9.703 -8.367 -2.872 1.00 0.00 C ATOM 375 C ILE A 24 9.970 -9.305 -4.050 1.00 0.00 C ATOM 376 O ILE A 24 9.738 -10.494 -3.974 1.00 0.00 O ATOM 377 CB ILE A 24 8.658 -7.317 -3.246 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.381 -6.422 -2.039 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.362 -8.011 -3.670 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.533 -5.226 -2.473 1.00 0.00 C ATOM 0 H ILE A 24 10.840 -6.577 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 24 9.373 -8.988 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 24 9.033 -6.712 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.862 -6.988 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.320 -6.077 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.618 -7.261 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.557 -8.651 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.987 -8.617 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.336 -4.588 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.069 -4.656 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.588 -5.580 -2.886 1.00 0.00 H new ATOM 392 N LYS A 25 10.523 -8.798 -5.116 1.00 0.00 N ATOM 393 CA LYS A 25 10.876 -9.691 -6.253 1.00 0.00 C ATOM 394 C LYS A 25 11.915 -10.721 -5.799 1.00 0.00 C ATOM 395 O LYS A 25 11.767 -11.907 -6.015 1.00 0.00 O ATOM 396 CB LYS A 25 11.466 -8.768 -7.320 1.00 0.00 C ATOM 397 CG LYS A 25 10.363 -7.865 -7.874 1.00 0.00 C ATOM 398 CD LYS A 25 10.950 -6.940 -8.941 1.00 0.00 C ATOM 399 CE LYS A 25 9.847 -6.037 -9.495 1.00 0.00 C ATOM 400 NZ LYS A 25 10.483 -5.312 -10.631 1.00 0.00 N ATOM 0 H LYS A 25 10.744 -7.811 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 25 10.016 -10.244 -6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.266 -8.164 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.907 -9.358 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.563 -8.470 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.922 -7.276 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.750 -6.335 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.391 -7.529 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.989 -6.620 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.485 -5.343 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.789 -4.670 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.293 -4.761 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.812 -5.998 -11.340 1.00 0.00 H new ATOM 414 N ASN A 26 12.952 -10.274 -5.140 1.00 0.00 N ATOM 415 CA ASN A 26 13.988 -11.226 -4.637 1.00 0.00 C ATOM 416 C ASN A 26 13.361 -12.228 -3.669 1.00 0.00 C ATOM 417 O ASN A 26 13.536 -13.424 -3.792 1.00 0.00 O ATOM 418 CB ASN A 26 15.003 -10.356 -3.891 1.00 0.00 C ATOM 419 CG ASN A 26 16.329 -11.111 -3.764 1.00 0.00 C ATOM 420 OD1 ASN A 26 17.307 -10.748 -4.387 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.407 -12.156 -2.983 1.00 0.00 N ATOM 0 H ASN A 26 13.127 -9.292 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 26 14.444 -11.794 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.156 -9.418 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.622 -10.101 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.287 -12.664 -2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.588 -12.463 -2.459 1.00 0.00 H new ATOM 428 N GLY A 27 12.725 -11.735 -2.644 1.00 0.00 N ATOM 429 CA GLY A 27 12.194 -12.638 -1.590 1.00 0.00 C ATOM 430 C GLY A 27 10.675 -12.756 -1.729 1.00 0.00 C ATOM 431 O GLY A 27 10.130 -13.841 -1.712 1.00 0.00 O ATOM 0 H GLY A 27 12.550 -10.742 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.654 -13.622 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.450 -12.251 -0.604 1.00 0.00 H new ATOM 435 N ALA A 28 10.000 -11.637 -1.855 1.00 0.00 N ATOM 436 CA ALA A 28 8.504 -11.631 -1.994 1.00 0.00 C ATOM 437 C ALA A 28 7.845 -11.753 -0.620 1.00 0.00 C ATOM 438 O ALA A 28 7.703 -12.832 -0.081 1.00 0.00 O ATOM 439 CB ALA A 28 8.135 -12.817 -2.891 1.00 0.00 C ATOM 0 H ALA A 28 10.428 -10.711 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 28 8.152 -10.698 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.053 -12.853 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.613 -12.700 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.476 -13.743 -2.428 1.00 0.00 H new ATOM 445 N ASP A 29 7.474 -10.648 -0.038 1.00 0.00 N ATOM 446 CA ASP A 29 6.862 -10.689 1.318 1.00 0.00 C ATOM 447 C ASP A 29 6.426 -9.284 1.736 1.00 0.00 C ATOM 448 O ASP A 29 7.171 -8.546 2.349 1.00 0.00 O ATOM 449 CB ASP A 29 7.976 -11.206 2.223 1.00 0.00 C ATOM 450 CG ASP A 29 7.542 -12.522 2.873 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.554 -13.083 2.427 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.206 -12.948 3.803 1.00 0.00 O ATOM 0 H ASP A 29 7.568 -9.717 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 29 5.974 -11.319 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.887 -11.358 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.206 -10.468 2.991 1.00 0.00 H new ATOM 457 N PHE A 30 5.256 -8.880 1.330 1.00 0.00 N ATOM 458 CA PHE A 30 4.805 -7.489 1.608 1.00 0.00 C ATOM 459 C PHE A 30 4.758 -7.230 3.116 1.00 0.00 C ATOM 460 O PHE A 30 5.207 -6.208 3.592 1.00 0.00 O ATOM 461 CB PHE A 30 3.406 -7.407 1.002 1.00 0.00 C ATOM 462 CG PHE A 30 2.962 -5.963 0.950 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.502 -5.101 -0.015 1.00 0.00 C ATOM 464 CD2 PHE A 30 2.012 -5.482 1.864 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.096 -3.762 -0.067 1.00 0.00 C ATOM 466 CE2 PHE A 30 1.605 -4.141 1.810 1.00 0.00 C ATOM 467 CZ PHE A 30 2.147 -3.281 0.845 1.00 0.00 C ATOM 0 H PHE A 30 4.590 -9.456 0.815 1.00 0.00 H new ATOM 0 HA PHE A 30 5.480 -6.743 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.407 -7.834 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.705 -7.993 1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.232 -5.471 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.595 -6.144 2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.514 -3.100 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.873 -3.771 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.833 -2.248 0.804 1.00 0.00 H new ATOM 477 N GLY A 31 4.157 -8.113 3.864 1.00 0.00 N ATOM 478 CA GLY A 31 4.011 -7.871 5.329 1.00 0.00 C ATOM 479 C GLY A 31 5.393 -7.728 5.976 1.00 0.00 C ATOM 480 O GLY A 31 5.622 -6.843 6.778 1.00 0.00 O ATOM 0 H GLY A 31 3.761 -8.990 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.425 -6.968 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.468 -8.696 5.790 1.00 0.00 H new ATOM 484 N LYS A 32 6.297 -8.622 5.684 1.00 0.00 N ATOM 485 CA LYS A 32 7.634 -8.566 6.345 1.00 0.00 C ATOM 486 C LYS A 32 8.392 -7.304 5.920 1.00 0.00 C ATOM 487 O LYS A 32 9.035 -6.654 6.722 1.00 0.00 O ATOM 488 CB LYS A 32 8.369 -9.816 5.860 1.00 0.00 C ATOM 489 CG LYS A 32 7.730 -11.060 6.482 1.00 0.00 C ATOM 490 CD LYS A 32 7.893 -11.010 8.002 1.00 0.00 C ATOM 491 CE LYS A 32 7.613 -12.394 8.592 1.00 0.00 C ATOM 492 NZ LYS A 32 6.134 -12.448 8.763 1.00 0.00 N ATOM 0 H LYS A 32 6.170 -9.386 5.020 1.00 0.00 H new ATOM 0 HA LYS A 32 7.551 -8.533 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.325 -9.877 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.423 -9.760 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.673 -11.109 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.199 -11.960 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.903 -10.691 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.208 -10.276 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.963 -13.184 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.126 -12.528 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.864 -13.369 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.831 -11.688 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.673 -12.324 7.839 1.00 0.00 H new ATOM 506 N LEU A 33 8.309 -6.940 4.670 1.00 0.00 N ATOM 507 CA LEU A 33 9.012 -5.710 4.210 1.00 0.00 C ATOM 508 C LEU A 33 8.387 -4.470 4.850 1.00 0.00 C ATOM 509 O LEU A 33 9.078 -3.557 5.250 1.00 0.00 O ATOM 510 CB LEU A 33 8.833 -5.687 2.694 1.00 0.00 C ATOM 511 CG LEU A 33 9.663 -6.809 2.071 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.388 -6.870 0.569 1.00 0.00 C ATOM 513 CD2 LEU A 33 11.149 -6.535 2.308 1.00 0.00 C ATOM 0 H LEU A 33 7.787 -7.439 3.950 1.00 0.00 H new ATOM 0 HA LEU A 33 10.065 -5.710 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.781 -5.812 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.146 -4.722 2.294 1.00 0.00 H new ATOM 0 HG LEU A 33 9.392 -7.760 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.979 -7.670 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.329 -7.065 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.660 -5.919 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.742 -7.335 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.421 -5.584 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.344 -6.490 3.379 1.00 0.00 H new ATOM 525 N ALA A 34 7.088 -4.432 4.963 1.00 0.00 N ATOM 526 CA ALA A 34 6.437 -3.252 5.593 1.00 0.00 C ATOM 527 C ALA A 34 6.935 -3.085 7.030 1.00 0.00 C ATOM 528 O ALA A 34 7.299 -2.005 7.446 1.00 0.00 O ATOM 529 CB ALA A 34 4.941 -3.570 5.579 1.00 0.00 C ATOM 0 H ALA A 34 6.452 -5.165 4.647 1.00 0.00 H new ATOM 0 HA ALA A 34 6.661 -2.324 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.389 -2.744 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.609 -3.711 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.757 -4.482 6.148 1.00 0.00 H new ATOM 535 N LYS A 35 6.958 -4.144 7.791 1.00 0.00 N ATOM 536 CA LYS A 35 7.430 -4.034 9.202 1.00 0.00 C ATOM 537 C LYS A 35 8.878 -3.533 9.245 1.00 0.00 C ATOM 538 O LYS A 35 9.227 -2.687 10.044 1.00 0.00 O ATOM 539 CB LYS A 35 7.341 -5.457 9.755 1.00 0.00 C ATOM 540 CG LYS A 35 7.750 -5.464 11.230 1.00 0.00 C ATOM 541 CD LYS A 35 7.658 -6.892 11.776 1.00 0.00 C ATOM 542 CE LYS A 35 8.063 -6.903 13.251 1.00 0.00 C ATOM 543 NZ LYS A 35 8.547 -8.290 13.505 1.00 0.00 N ATOM 0 H LYS A 35 6.672 -5.078 7.499 1.00 0.00 H new ATOM 0 HA LYS A 35 6.836 -3.328 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.325 -5.836 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.991 -6.121 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.767 -5.086 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.101 -4.801 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.642 -7.270 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.309 -7.554 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.843 -6.169 13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.219 -6.655 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.844 -8.378 14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.781 -8.966 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.355 -8.495 12.883 1.00 0.00 H new ATOM 557 N LYS A 36 9.737 -4.094 8.437 1.00 0.00 N ATOM 558 CA LYS A 36 11.175 -3.697 8.487 1.00 0.00 C ATOM 559 C LYS A 36 11.371 -2.275 7.950 1.00 0.00 C ATOM 560 O LYS A 36 11.978 -1.438 8.590 1.00 0.00 O ATOM 561 CB LYS A 36 11.888 -4.700 7.580 1.00 0.00 C ATOM 562 CG LYS A 36 11.686 -6.117 8.118 1.00 0.00 C ATOM 563 CD LYS A 36 12.404 -7.110 7.201 1.00 0.00 C ATOM 564 CE LYS A 36 12.208 -8.531 7.731 1.00 0.00 C ATOM 565 NZ LYS A 36 12.180 -9.390 6.513 1.00 0.00 N ATOM 0 H LYS A 36 9.507 -4.808 7.746 1.00 0.00 H new ATOM 0 HA LYS A 36 11.560 -3.703 9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.498 -4.627 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.952 -4.468 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.077 -6.193 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.623 -6.352 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.013 -7.032 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.467 -6.873 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.019 -8.819 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.281 -8.618 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.981 -10.373 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.438 -9.053 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.102 -9.344 6.034 1.00 0.00 H new ATOM 579 N HIS A 37 11.003 -2.046 6.718 1.00 0.00 N ATOM 580 CA HIS A 37 11.322 -0.741 6.069 1.00 0.00 C ATOM 581 C HIS A 37 10.465 0.390 6.651 1.00 0.00 C ATOM 582 O HIS A 37 10.915 1.509 6.794 1.00 0.00 O ATOM 583 CB HIS A 37 10.988 -0.953 4.593 1.00 0.00 C ATOM 584 CG HIS A 37 11.915 -1.987 4.014 1.00 0.00 C ATOM 585 ND1 HIS A 37 13.070 -1.647 3.327 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.870 -3.360 4.015 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.667 -2.792 2.946 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.977 -3.866 3.341 1.00 0.00 N ATOM 0 H HIS A 37 10.494 -2.708 6.132 1.00 0.00 H new ATOM 0 HA HIS A 37 12.361 -0.452 6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.953 -1.276 4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.087 -0.014 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.093 -3.956 4.470 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.591 -2.837 2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.211 -4.846 3.182 1.00 0.00 H new ATOM 596 N SER A 38 9.211 0.129 6.905 1.00 0.00 N ATOM 597 CA SER A 38 8.302 1.215 7.378 1.00 0.00 C ATOM 598 C SER A 38 8.809 1.802 8.695 1.00 0.00 C ATOM 599 O SER A 38 8.879 3.004 8.857 1.00 0.00 O ATOM 600 CB SER A 38 6.950 0.533 7.577 1.00 0.00 C ATOM 601 OG SER A 38 5.939 1.518 7.716 1.00 0.00 O ATOM 0 H SER A 38 8.776 -0.788 6.806 1.00 0.00 H new ATOM 0 HA SER A 38 8.244 2.042 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.728 -0.113 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.978 -0.102 8.462 1.00 0.00 H new ATOM 0 HG SER A 38 5.956 1.878 8.627 1.00 0.00 H new ATOM 607 N ILE A 39 9.121 0.960 9.648 1.00 0.00 N ATOM 608 CA ILE A 39 9.577 1.453 10.983 1.00 0.00 C ATOM 609 C ILE A 39 8.796 2.707 11.386 1.00 0.00 C ATOM 610 O ILE A 39 9.300 3.575 12.070 1.00 0.00 O ATOM 611 CB ILE A 39 11.061 1.765 10.815 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.242 2.942 9.859 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.771 0.533 10.248 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.699 3.396 9.900 1.00 0.00 C ATOM 0 H ILE A 39 9.079 -0.055 9.557 1.00 0.00 H new ATOM 0 HA ILE A 39 9.410 0.717 11.769 1.00 0.00 H new ATOM 0 HB ILE A 39 11.488 2.026 11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.967 2.650 8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.584 3.763 10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.832 0.749 10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.648 -0.305 10.934 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.339 0.277 9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.837 4.237 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.956 3.703 10.914 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.345 2.573 9.596 1.00 0.00 H new ATOM 626 N CYS A 40 7.556 2.790 10.987 1.00 0.00 N ATOM 627 CA CYS A 40 6.724 3.966 11.366 1.00 0.00 C ATOM 628 C CYS A 40 5.431 3.488 12.039 1.00 0.00 C ATOM 629 O CYS A 40 5.109 2.318 11.997 1.00 0.00 O ATOM 630 CB CYS A 40 6.429 4.685 10.043 1.00 0.00 C ATOM 631 SG CYS A 40 5.192 3.762 9.093 1.00 0.00 S ATOM 0 H CYS A 40 7.083 2.092 10.413 1.00 0.00 H new ATOM 0 HA CYS A 40 7.222 4.627 12.075 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.067 5.694 10.242 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.346 4.784 9.462 1.00 0.00 H new ATOM 0 HG CYS A 40 5.742 3.280 8.018 1.00 0.00 H new ATOM 637 N PRO A 41 4.749 4.407 12.666 1.00 0.00 N ATOM 638 CA PRO A 41 3.501 4.061 13.388 1.00 0.00 C ATOM 639 C PRO A 41 2.553 3.282 12.473 1.00 0.00 C ATOM 640 O PRO A 41 1.679 2.571 12.929 1.00 0.00 O ATOM 641 CB PRO A 41 2.905 5.417 13.759 1.00 0.00 C ATOM 642 CG PRO A 41 4.052 6.379 13.727 1.00 0.00 C ATOM 643 CD PRO A 41 5.071 5.834 12.758 1.00 0.00 C ATOM 0 HA PRO A 41 3.675 3.428 14.258 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.127 5.710 13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.445 5.387 14.747 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.715 7.367 13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.488 6.490 14.720 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.998 6.323 11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.088 5.991 13.118 1.00 0.00 H new ATOM 651 N SER A 42 2.705 3.426 11.186 1.00 0.00 N ATOM 652 CA SER A 42 1.799 2.711 10.244 1.00 0.00 C ATOM 653 C SER A 42 2.492 1.477 9.661 1.00 0.00 C ATOM 654 O SER A 42 1.980 0.831 8.773 1.00 0.00 O ATOM 655 CB SER A 42 1.486 3.723 9.141 1.00 0.00 C ATOM 656 OG SER A 42 2.585 4.607 8.984 1.00 0.00 O ATOM 0 H SER A 42 3.418 4.008 10.746 1.00 0.00 H new ATOM 0 HA SER A 42 0.895 2.357 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.286 3.205 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.587 4.285 9.393 1.00 0.00 H new ATOM 0 HG SER A 42 3.410 4.088 8.883 1.00 0.00 H new ATOM 662 N GLY A 43 3.596 1.077 10.220 1.00 0.00 N ATOM 663 CA GLY A 43 4.225 -0.191 9.757 1.00 0.00 C ATOM 664 C GLY A 43 3.434 -1.368 10.326 1.00 0.00 C ATOM 665 O GLY A 43 2.916 -2.193 9.601 1.00 0.00 O ATOM 0 H GLY A 43 4.087 1.565 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.233 -0.233 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.263 -0.240 10.086 1.00 0.00 H new ATOM 669 N LYS A 44 3.295 -1.421 11.623 1.00 0.00 N ATOM 670 CA LYS A 44 2.489 -2.507 12.246 1.00 0.00 C ATOM 671 C LYS A 44 1.043 -2.457 11.738 1.00 0.00 C ATOM 672 O LYS A 44 0.408 -3.475 11.551 1.00 0.00 O ATOM 673 CB LYS A 44 2.537 -2.220 13.747 1.00 0.00 C ATOM 674 CG LYS A 44 1.904 -3.385 14.510 1.00 0.00 C ATOM 675 CD LYS A 44 1.953 -3.098 16.012 1.00 0.00 C ATOM 676 CE LYS A 44 1.335 -4.275 16.775 1.00 0.00 C ATOM 677 NZ LYS A 44 2.473 -4.922 17.494 1.00 0.00 N ATOM 0 H LYS A 44 3.706 -0.757 12.279 1.00 0.00 H new ATOM 0 HA LYS A 44 2.875 -3.497 12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.569 -2.079 14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.005 -1.295 13.968 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.872 -3.526 14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.435 -4.310 14.288 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.984 -2.945 16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.410 -2.180 16.236 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.572 -3.933 17.474 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.852 -4.975 16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.122 -5.736 18.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.181 -5.245 16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.910 -4.236 18.142 1.00 0.00 H new ATOM 691 N ARG A 45 0.494 -1.280 11.593 1.00 0.00 N ATOM 692 CA ARG A 45 -0.938 -1.173 11.193 1.00 0.00 C ATOM 693 C ARG A 45 -1.059 -0.903 9.684 1.00 0.00 C ATOM 694 O ARG A 45 -1.881 -1.487 9.006 1.00 0.00 O ATOM 695 CB ARG A 45 -1.484 0.000 12.022 1.00 0.00 C ATOM 696 CG ARG A 45 -2.733 0.582 11.357 1.00 0.00 C ATOM 697 CD ARG A 45 -3.876 -0.431 11.446 1.00 0.00 C ATOM 698 NE ARG A 45 -4.418 -0.275 12.826 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.156 0.760 13.127 1.00 0.00 C ATOM 700 NH1 ARG A 45 -5.410 1.673 12.228 1.00 0.00 N ATOM 701 NH2 ARG A 45 -5.639 0.884 14.333 1.00 0.00 N ATOM 0 H ARG A 45 0.974 -0.391 11.734 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.496 -2.091 11.377 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.724 -0.338 13.030 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.721 0.773 12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.019 1.513 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.525 0.821 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.641 -0.231 10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.519 -1.446 11.274 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.212 -0.978 13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.031 1.580 11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.987 2.479 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.440 0.174 15.038 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.216 1.691 14.571 1.00 0.00 H new ATOM 715 N GLY A 46 -0.255 -0.021 9.157 1.00 0.00 N ATOM 716 CA GLY A 46 -0.335 0.284 7.698 1.00 0.00 C ATOM 717 C GLY A 46 -0.064 -0.989 6.895 1.00 0.00 C ATOM 718 O GLY A 46 -0.660 -1.221 5.861 1.00 0.00 O ATOM 0 H GLY A 46 0.454 0.502 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.321 0.679 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.391 1.053 7.436 1.00 0.00 H new ATOM 722 N GLY A 47 0.820 -1.828 7.368 1.00 0.00 N ATOM 723 CA GLY A 47 1.113 -3.096 6.636 1.00 0.00 C ATOM 724 C GLY A 47 -0.102 -4.031 6.698 1.00 0.00 C ATOM 725 O GLY A 47 -0.119 -5.080 6.085 1.00 0.00 O ATOM 0 H GLY A 47 1.351 -1.691 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.361 -2.877 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.982 -3.586 7.075 1.00 0.00 H new ATOM 729 N ASP A 48 -1.128 -3.652 7.412 1.00 0.00 N ATOM 730 CA ASP A 48 -2.348 -4.506 7.488 1.00 0.00 C ATOM 731 C ASP A 48 -3.463 -3.739 8.201 1.00 0.00 C ATOM 732 O ASP A 48 -3.802 -4.017 9.333 1.00 0.00 O ATOM 733 CB ASP A 48 -1.928 -5.730 8.305 1.00 0.00 C ATOM 734 CG ASP A 48 -2.688 -6.961 7.807 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.438 -6.824 6.854 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.508 -8.018 8.386 1.00 0.00 O ATOM 0 H ASP A 48 -1.173 -2.785 7.947 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.725 -4.790 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.854 -5.891 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.136 -5.564 9.362 1.00 0.00 H new ATOM 741 N LEU A 49 -3.980 -2.724 7.564 1.00 0.00 N ATOM 742 CA LEU A 49 -5.012 -1.869 8.217 1.00 0.00 C ATOM 743 C LEU A 49 -6.333 -2.634 8.372 1.00 0.00 C ATOM 744 O LEU A 49 -7.090 -2.393 9.291 1.00 0.00 O ATOM 745 CB LEU A 49 -5.180 -0.664 7.285 1.00 0.00 C ATOM 746 CG LEU A 49 -3.925 0.212 7.340 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.633 0.768 5.945 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.157 1.373 8.310 1.00 0.00 C ATOM 0 H LEU A 49 -3.730 -2.449 6.614 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.716 -1.565 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.353 -1.004 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.054 -0.083 7.580 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.079 -0.385 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.740 1.392 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.471 -0.057 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.480 1.366 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.264 1.997 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.002 1.970 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.370 0.980 9.304 1.00 0.00 H new ATOM 760 N GLY A 50 -6.619 -3.555 7.487 1.00 0.00 N ATOM 761 CA GLY A 50 -7.892 -4.322 7.603 1.00 0.00 C ATOM 762 C GLY A 50 -8.825 -3.958 6.445 1.00 0.00 C ATOM 763 O GLY A 50 -8.385 -3.611 5.364 1.00 0.00 O ATOM 0 H GLY A 50 -6.029 -3.807 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.685 -5.392 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.375 -4.100 8.555 1.00 0.00 H new ATOM 767 N GLU A 51 -10.111 -4.073 6.651 1.00 0.00 N ATOM 768 CA GLU A 51 -11.073 -3.775 5.550 1.00 0.00 C ATOM 769 C GLU A 51 -11.874 -2.510 5.879 1.00 0.00 C ATOM 770 O GLU A 51 -12.239 -2.270 7.013 1.00 0.00 O ATOM 771 CB GLU A 51 -11.991 -4.997 5.484 1.00 0.00 C ATOM 772 CG GLU A 51 -12.827 -4.934 4.205 1.00 0.00 C ATOM 773 CD GLU A 51 -13.740 -6.161 4.130 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.584 -7.042 4.960 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.576 -6.200 3.242 1.00 0.00 O ATOM 0 H GLU A 51 -10.536 -4.360 7.533 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.573 -3.594 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.399 -5.912 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.643 -5.024 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.424 -4.022 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.174 -4.899 3.333 1.00 0.00 H new ATOM 782 N PHE A 52 -12.057 -1.650 4.913 1.00 0.00 N ATOM 783 CA PHE A 52 -12.726 -0.339 5.182 1.00 0.00 C ATOM 784 C PHE A 52 -13.261 0.261 3.877 1.00 0.00 C ATOM 785 O PHE A 52 -12.989 -0.231 2.802 1.00 0.00 O ATOM 786 CB PHE A 52 -11.641 0.558 5.795 1.00 0.00 C ATOM 787 CG PHE A 52 -10.299 0.301 5.139 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.182 0.273 3.740 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.169 0.084 5.938 1.00 0.00 C ATOM 790 CE1 PHE A 52 -8.939 0.030 3.146 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.926 -0.158 5.342 1.00 0.00 C ATOM 792 CZ PHE A 52 -7.810 -0.186 3.948 1.00 0.00 C ATOM 0 H PHE A 52 -11.772 -1.798 3.945 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.579 -0.444 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.916 1.606 5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.570 0.370 6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.052 0.439 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.257 0.103 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.849 0.009 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.055 -0.323 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.850 -0.374 3.490 1.00 0.00 H new ATOM 802 N ARG A 53 -14.072 1.279 3.964 1.00 0.00 N ATOM 803 CA ARG A 53 -14.675 1.856 2.726 1.00 0.00 C ATOM 804 C ARG A 53 -13.836 3.037 2.218 1.00 0.00 C ATOM 805 O ARG A 53 -12.748 3.290 2.691 1.00 0.00 O ATOM 806 CB ARG A 53 -16.076 2.312 3.137 1.00 0.00 C ATOM 807 CG ARG A 53 -15.972 3.525 4.062 1.00 0.00 C ATOM 808 CD ARG A 53 -17.375 3.975 4.473 1.00 0.00 C ATOM 809 NE ARG A 53 -17.174 5.282 5.163 1.00 0.00 N ATOM 810 CZ ARG A 53 -17.045 6.385 4.471 1.00 0.00 C ATOM 811 NH1 ARG A 53 -17.067 6.352 3.165 1.00 0.00 N ATOM 812 NH2 ARG A 53 -16.885 7.524 5.087 1.00 0.00 N ATOM 0 H ARG A 53 -14.343 1.736 4.835 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.712 1.133 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.660 2.566 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.599 1.501 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.386 3.273 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.451 4.338 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.025 4.083 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.845 3.247 5.135 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.137 5.316 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.185 5.463 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.966 7.215 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.861 7.554 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.784 8.385 4.549 1.00 0.00 H new ATOM 900 N PRO A 59 -7.106 9.555 0.131 1.00 0.00 N ATOM 901 CA PRO A 59 -7.943 9.531 -1.095 1.00 0.00 C ATOM 902 C PRO A 59 -7.270 8.698 -2.186 1.00 0.00 C ATOM 903 O PRO A 59 -7.849 7.768 -2.713 1.00 0.00 O ATOM 904 CB PRO A 59 -8.043 11.002 -1.514 1.00 0.00 C ATOM 905 CG PRO A 59 -7.095 11.757 -0.626 1.00 0.00 C ATOM 906 CD PRO A 59 -6.845 10.913 0.593 1.00 0.00 C ATOM 0 HA PRO A 59 -8.922 9.082 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.776 11.127 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.062 11.371 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.161 11.961 -1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.519 12.721 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.823 11.024 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.505 11.190 1.415 1.00 0.00 H new ATOM 914 N ALA A 60 -6.051 9.028 -2.525 1.00 0.00 N ATOM 915 CA ALA A 60 -5.318 8.263 -3.579 1.00 0.00 C ATOM 916 C ALA A 60 -5.636 6.767 -3.488 1.00 0.00 C ATOM 917 O ALA A 60 -5.639 6.065 -4.480 1.00 0.00 O ATOM 918 CB ALA A 60 -3.839 8.515 -3.287 1.00 0.00 C ATOM 0 H ALA A 60 -5.527 9.801 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.601 8.578 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.228 7.986 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.633 9.584 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.599 8.155 -2.286 1.00 0.00 H new ATOM 924 N PHE A 61 -5.938 6.276 -2.315 1.00 0.00 N ATOM 925 CA PHE A 61 -6.294 4.832 -2.189 1.00 0.00 C ATOM 926 C PHE A 61 -7.523 4.512 -3.041 1.00 0.00 C ATOM 927 O PHE A 61 -7.568 3.511 -3.729 1.00 0.00 O ATOM 928 CB PHE A 61 -6.609 4.612 -0.710 1.00 0.00 C ATOM 929 CG PHE A 61 -7.245 3.253 -0.543 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.535 2.097 -0.895 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.552 3.148 -0.047 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.131 0.836 -0.749 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.149 1.888 0.098 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.438 0.731 -0.252 1.00 0.00 C ATOM 0 H PHE A 61 -5.954 6.808 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.485 4.187 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.697 4.677 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.281 5.390 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.529 2.177 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.099 4.039 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.583 -0.055 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.156 1.808 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.897 -0.240 -0.139 1.00 0.00 H new ATOM 944 N ASP A 62 -8.520 5.351 -3.003 1.00 0.00 N ATOM 945 CA ASP A 62 -9.741 5.084 -3.813 1.00 0.00 C ATOM 946 C ASP A 62 -9.366 5.018 -5.292 1.00 0.00 C ATOM 947 O ASP A 62 -9.825 4.164 -6.024 1.00 0.00 O ATOM 948 CB ASP A 62 -10.668 6.271 -3.543 1.00 0.00 C ATOM 949 CG ASP A 62 -11.965 6.095 -4.334 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.913 6.197 -5.549 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.988 5.857 -3.713 1.00 0.00 O ATOM 0 H ASP A 62 -8.543 6.207 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.218 4.138 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.886 6.341 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.178 7.201 -3.830 1.00 0.00 H new ATOM 956 N LYS A 63 -8.490 5.881 -5.722 1.00 0.00 N ATOM 957 CA LYS A 63 -8.028 5.836 -7.138 1.00 0.00 C ATOM 958 C LYS A 63 -7.422 4.467 -7.472 1.00 0.00 C ATOM 959 O LYS A 63 -7.670 3.915 -8.524 1.00 0.00 O ATOM 960 CB LYS A 63 -6.960 6.926 -7.230 1.00 0.00 C ATOM 961 CG LYS A 63 -6.297 6.881 -8.608 1.00 0.00 C ATOM 962 CD LYS A 63 -7.334 7.191 -9.688 1.00 0.00 C ATOM 963 CE LYS A 63 -6.642 7.259 -11.051 1.00 0.00 C ATOM 964 NZ LYS A 63 -6.995 5.977 -11.724 1.00 0.00 N ATOM 0 H LYS A 63 -8.072 6.618 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.847 5.992 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.410 7.905 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.212 6.783 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.482 7.604 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.861 5.897 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.106 6.422 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.829 8.138 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.988 8.117 -11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.563 7.364 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.286 5.762 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.013 5.210 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.932 6.064 -12.166 1.00 0.00 H new ATOM 978 N VAL A 64 -6.519 3.987 -6.658 1.00 0.00 N ATOM 979 CA VAL A 64 -5.780 2.736 -7.039 1.00 0.00 C ATOM 980 C VAL A 64 -6.707 1.515 -6.979 1.00 0.00 C ATOM 981 O VAL A 64 -6.860 0.811 -7.957 1.00 0.00 O ATOM 982 CB VAL A 64 -4.599 2.584 -6.056 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.020 3.961 -5.710 1.00 0.00 C ATOM 984 CG2 VAL A 64 -5.045 1.875 -4.768 1.00 0.00 C ATOM 0 H VAL A 64 -6.261 4.395 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.415 2.804 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.832 1.979 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.188 3.842 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.667 4.446 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.793 4.575 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.195 1.780 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.830 2.457 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.427 0.884 -5.012 1.00 0.00 H new ATOM 994 N VAL A 65 -7.442 1.338 -5.916 1.00 0.00 N ATOM 995 CA VAL A 65 -8.471 0.258 -5.926 1.00 0.00 C ATOM 996 C VAL A 65 -9.431 0.483 -7.100 1.00 0.00 C ATOM 997 O VAL A 65 -9.992 -0.446 -7.645 1.00 0.00 O ATOM 998 CB VAL A 65 -9.203 0.353 -4.586 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.964 1.673 -4.501 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.190 -0.810 -4.464 1.00 0.00 C ATOM 0 H VAL A 65 -7.378 1.882 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.031 -0.731 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.475 0.306 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.483 1.733 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.263 2.503 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.691 1.727 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.713 -0.745 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.913 -0.761 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.648 -1.754 -4.517 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.548 1.707 -7.547 1.00 0.00 N ATOM 1011 CA PHE A 66 -10.385 1.992 -8.750 1.00 0.00 C ATOM 1012 C PHE A 66 -9.494 2.053 -9.999 1.00 0.00 C ATOM 1013 O PHE A 66 -9.961 2.268 -11.101 1.00 0.00 O ATOM 1014 CB PHE A 66 -11.008 3.360 -8.471 1.00 0.00 C ATOM 1015 CG PHE A 66 -12.192 3.578 -9.381 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.994 3.983 -10.709 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -13.492 3.382 -8.896 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.096 4.192 -11.550 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -14.595 3.590 -9.736 1.00 0.00 C ATOM 1020 CZ PHE A 66 -14.396 3.995 -11.064 1.00 0.00 C ATOM 0 H PHE A 66 -9.099 2.522 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.140 1.227 -8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.322 3.421 -7.429 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.268 4.145 -8.627 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.992 4.134 -11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.644 3.070 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -12.943 4.505 -12.572 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -15.596 3.439 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.245 4.155 -11.712 1.00 0.00 H new ATOM 1030 N SER A 67 -8.215 1.859 -9.828 1.00 0.00 N ATOM 1031 CA SER A 67 -7.274 1.892 -10.981 1.00 0.00 C ATOM 1032 C SER A 67 -6.978 0.468 -11.456 1.00 0.00 C ATOM 1033 O SER A 67 -7.062 0.161 -12.629 1.00 0.00 O ATOM 1034 CB SER A 67 -6.005 2.540 -10.432 1.00 0.00 C ATOM 1035 OG SER A 67 -5.064 2.702 -11.483 1.00 0.00 O ATOM 0 H SER A 67 -7.777 1.677 -8.925 1.00 0.00 H new ATOM 0 HA SER A 67 -7.680 2.438 -11.832 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.241 3.507 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.580 1.921 -9.641 1.00 0.00 H new ATOM 0 HG SER A 67 -4.250 3.119 -11.132 1.00 0.00 H new ATOM 1041 N CYS A 68 -6.640 -0.407 -10.547 1.00 0.00 N ATOM 1042 CA CYS A 68 -6.345 -1.815 -10.936 1.00 0.00 C ATOM 1043 C CYS A 68 -7.345 -2.763 -10.268 1.00 0.00 C ATOM 1044 O CYS A 68 -7.785 -2.523 -9.162 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.932 -2.080 -10.418 1.00 0.00 C ATOM 1046 SG CYS A 68 -3.744 -1.104 -11.373 1.00 0.00 S ATOM 0 H CYS A 68 -6.556 -0.206 -9.551 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.421 -1.973 -12.012 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.866 -1.820 -9.362 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.696 -3.141 -10.500 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.536 -1.482 -11.078 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.656 -3.822 -10.963 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.598 -4.834 -10.428 1.00 0.00 C ATOM 1054 C PRO A 69 -8.096 -5.377 -9.088 1.00 0.00 C ATOM 1055 O PRO A 69 -6.909 -5.513 -8.865 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.607 -5.932 -11.491 1.00 0.00 C ATOM 1057 CG PRO A 69 -8.084 -5.282 -12.734 1.00 0.00 C ATOM 1058 CD PRO A 69 -7.166 -4.171 -12.299 1.00 0.00 C ATOM 0 HA PRO A 69 -9.592 -4.428 -10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.981 -6.773 -11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.613 -6.323 -11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.549 -6.004 -13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.903 -4.891 -13.338 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.126 -4.497 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.216 -3.321 -12.979 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.994 -5.704 -8.199 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.577 -6.257 -6.879 1.00 0.00 C ATOM 1068 C VAL A 70 -7.801 -7.562 -7.080 1.00 0.00 C ATOM 1069 O VAL A 70 -7.623 -8.018 -8.191 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.889 -6.509 -6.135 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.802 -7.383 -6.998 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -9.611 -7.216 -4.807 1.00 0.00 C ATOM 0 H VAL A 70 -10.001 -5.612 -8.330 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.920 -5.585 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.376 -5.555 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.738 -7.564 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.009 -6.874 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.310 -8.334 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.551 -7.391 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.119 -8.170 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.964 -6.591 -4.191 1.00 0.00 H new ATOM 1082 N LEU A 71 -7.259 -8.112 -6.024 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.409 -9.330 -6.159 1.00 0.00 C ATOM 1084 C LEU A 71 -5.217 -9.027 -7.069 1.00 0.00 C ATOM 1085 O LEU A 71 -4.583 -9.917 -7.600 1.00 0.00 O ATOM 1086 CB LEU A 71 -7.310 -10.404 -6.778 1.00 0.00 C ATOM 1087 CG LEU A 71 -8.253 -10.958 -5.708 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -9.636 -10.323 -5.872 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -8.371 -12.474 -5.867 1.00 0.00 C ATOM 0 H LEU A 71 -7.370 -7.767 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.009 -9.661 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.886 -9.981 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.703 -11.208 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.857 -10.725 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.310 -10.716 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.555 -9.242 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.029 -10.558 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.043 -12.869 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.767 -12.706 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.387 -12.929 -5.754 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.898 -7.773 -7.231 1.00 0.00 N ATOM 1102 CA GLU A 72 -3.736 -7.397 -8.084 1.00 0.00 C ATOM 1103 C GLU A 72 -2.955 -6.258 -7.419 1.00 0.00 C ATOM 1104 O GLU A 72 -3.241 -5.099 -7.641 1.00 0.00 O ATOM 1105 CB GLU A 72 -4.351 -6.932 -9.405 1.00 0.00 C ATOM 1106 CG GLU A 72 -3.260 -6.823 -10.472 1.00 0.00 C ATOM 1107 CD GLU A 72 -3.383 -7.996 -11.448 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.752 -9.071 -11.006 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -3.106 -7.799 -12.619 1.00 0.00 O ATOM 0 H GLU A 72 -5.394 -6.989 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.038 -8.221 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.119 -7.635 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.839 -5.967 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.353 -5.879 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.276 -6.827 -10.003 1.00 0.00 H new ATOM 1116 N PRO A 73 -2.037 -6.635 -6.570 1.00 0.00 N ATOM 1117 CA PRO A 73 -1.260 -5.636 -5.800 1.00 0.00 C ATOM 1118 C PRO A 73 -0.793 -4.504 -6.717 1.00 0.00 C ATOM 1119 O PRO A 73 -0.056 -4.718 -7.659 1.00 0.00 O ATOM 1120 CB PRO A 73 -0.079 -6.440 -5.265 1.00 0.00 C ATOM 1121 CG PRO A 73 -0.562 -7.859 -5.213 1.00 0.00 C ATOM 1122 CD PRO A 73 -1.639 -8.011 -6.260 1.00 0.00 C ATOM 0 HA PRO A 73 -1.834 -5.159 -5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.790 -6.343 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.221 -6.090 -4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.259 -8.550 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.953 -8.095 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.264 -8.526 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.480 -8.594 -5.884 1.00 0.00 H new ATOM 1130 N THR A 74 -1.272 -3.311 -6.489 1.00 0.00 N ATOM 1131 CA THR A 74 -0.916 -2.178 -7.391 1.00 0.00 C ATOM 1132 C THR A 74 0.030 -1.208 -6.681 1.00 0.00 C ATOM 1133 O THR A 74 -0.292 -0.658 -5.646 1.00 0.00 O ATOM 1134 CB THR A 74 -2.249 -1.498 -7.712 1.00 0.00 C ATOM 1135 OG1 THR A 74 -3.067 -2.385 -8.465 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.995 -0.226 -8.521 1.00 0.00 C ATOM 0 H THR A 74 -1.894 -3.072 -5.717 1.00 0.00 H new ATOM 0 HA THR A 74 -0.401 -2.512 -8.292 1.00 0.00 H new ATOM 0 HB THR A 74 -2.755 -1.240 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.055 -3.273 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.946 0.256 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.372 0.455 -7.942 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.486 -0.481 -9.451 1.00 0.00 H new ATOM 1144 N GLY A 75 1.181 -0.966 -7.244 1.00 0.00 N ATOM 1145 CA GLY A 75 2.126 -0.003 -6.616 1.00 0.00 C ATOM 1146 C GLY A 75 3.568 -0.391 -6.965 1.00 0.00 C ATOM 1147 O GLY A 75 3.793 -1.368 -7.652 1.00 0.00 O ATOM 0 H GLY A 75 1.507 -1.393 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.916 1.008 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.992 0.000 -5.534 1.00 0.00 H new ATOM 1151 N PRO A 76 4.508 0.385 -6.472 1.00 0.00 N ATOM 1152 CA PRO A 76 4.183 1.569 -5.635 1.00 0.00 C ATOM 1153 C PRO A 76 3.582 2.688 -6.494 1.00 0.00 C ATOM 1154 O PRO A 76 3.523 2.591 -7.704 1.00 0.00 O ATOM 1155 CB PRO A 76 5.530 1.981 -5.051 1.00 0.00 C ATOM 1156 CG PRO A 76 6.551 1.448 -6.006 1.00 0.00 C ATOM 1157 CD PRO A 76 5.956 0.223 -6.655 1.00 0.00 C ATOM 0 HA PRO A 76 3.443 1.357 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.605 3.065 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.670 1.566 -4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.804 2.197 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.474 1.197 -5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.220 0.164 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.317 -0.692 -6.185 1.00 0.00 H new ATOM 1165 N LEU A 77 3.067 3.711 -5.869 1.00 0.00 N ATOM 1166 CA LEU A 77 2.385 4.795 -6.636 1.00 0.00 C ATOM 1167 C LEU A 77 2.751 6.164 -6.059 1.00 0.00 C ATOM 1168 O LEU A 77 3.207 6.273 -4.939 1.00 0.00 O ATOM 1169 CB LEU A 77 0.891 4.525 -6.462 1.00 0.00 C ATOM 1170 CG LEU A 77 0.359 3.781 -7.689 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.017 3.193 -7.373 1.00 0.00 C ATOM 1172 CD2 LEU A 77 0.239 4.756 -8.862 1.00 0.00 C ATOM 0 H LEU A 77 3.089 3.844 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 77 2.679 4.803 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.720 3.933 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.354 5.464 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 77 1.046 2.976 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.396 2.663 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.933 2.499 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.705 3.997 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.140 4.228 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.448 5.560 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.219 5.176 -9.088 1.00 0.00 H new ATOM 1184 N HIS A 78 2.569 7.208 -6.820 1.00 0.00 N ATOM 1185 CA HIS A 78 2.925 8.567 -6.318 1.00 0.00 C ATOM 1186 C HIS A 78 1.766 9.152 -5.505 1.00 0.00 C ATOM 1187 O HIS A 78 0.673 9.329 -6.004 1.00 0.00 O ATOM 1188 CB HIS A 78 3.172 9.404 -7.575 1.00 0.00 C ATOM 1189 CG HIS A 78 4.219 10.446 -7.289 1.00 0.00 C ATOM 1190 ND1 HIS A 78 5.429 10.481 -7.964 1.00 0.00 N ATOM 1191 CD2 HIS A 78 4.252 11.495 -6.404 1.00 0.00 C ATOM 1192 CE1 HIS A 78 6.134 11.518 -7.479 1.00 0.00 C ATOM 1193 NE2 HIS A 78 5.464 12.171 -6.525 1.00 0.00 N ATOM 0 H HIS A 78 2.190 7.180 -7.766 1.00 0.00 H new ATOM 0 HA HIS A 78 3.796 8.548 -5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.497 8.762 -8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.246 9.882 -7.894 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.459 11.756 -5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.122 11.790 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.773 12.988 -5.999 1.00 0.00 H new ATOM 1201 N THR A 79 2.021 9.539 -4.283 1.00 0.00 N ATOM 1202 CA THR A 79 0.959 10.212 -3.477 1.00 0.00 C ATOM 1203 C THR A 79 1.556 11.395 -2.714 1.00 0.00 C ATOM 1204 O THR A 79 2.744 11.453 -2.471 1.00 0.00 O ATOM 1205 CB THR A 79 0.443 9.151 -2.496 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.619 9.700 -1.729 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.573 8.714 -1.560 1.00 0.00 C ATOM 0 H THR A 79 2.916 9.419 -3.809 1.00 0.00 H new ATOM 0 HA THR A 79 0.156 10.598 -4.105 1.00 0.00 H new ATOM 0 HB THR A 79 0.086 8.286 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.155 8.974 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.200 7.961 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.390 8.294 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.935 9.576 -1.000 1.00 0.00 H new ATOM 1215 N GLN A 80 0.740 12.332 -2.324 1.00 0.00 N ATOM 1216 CA GLN A 80 1.260 13.506 -1.567 1.00 0.00 C ATOM 1217 C GLN A 80 1.924 13.045 -0.265 1.00 0.00 C ATOM 1218 O GLN A 80 2.742 13.739 0.305 1.00 0.00 O ATOM 1219 CB GLN A 80 0.029 14.364 -1.277 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.570 14.852 -2.598 1.00 0.00 C ATOM 1221 CD GLN A 80 0.466 15.696 -3.347 1.00 0.00 C ATOM 1222 OE1 GLN A 80 1.174 16.480 -2.749 1.00 0.00 O ATOM 1223 NE2 GLN A 80 0.583 15.565 -4.640 1.00 0.00 N ATOM 0 H GLN A 80 -0.265 12.337 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 80 2.016 14.059 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.709 13.785 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.303 15.214 -0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.872 14.001 -3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.466 15.442 -2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.012 14.906 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.270 16.122 -5.149 1.00 0.00 H new ATOM 1232 N PHE A 81 1.552 11.896 0.227 1.00 0.00 N ATOM 1233 CA PHE A 81 2.132 11.408 1.514 1.00 0.00 C ATOM 1234 C PHE A 81 3.532 10.822 1.287 1.00 0.00 C ATOM 1235 O PHE A 81 4.221 10.465 2.223 1.00 0.00 O ATOM 1236 CB PHE A 81 1.173 10.317 1.991 1.00 0.00 C ATOM 1237 CG PHE A 81 -0.146 10.935 2.388 1.00 0.00 C ATOM 1238 CD1 PHE A 81 -0.351 11.363 3.707 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -1.168 11.076 1.438 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -1.577 11.932 4.077 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -2.394 11.647 1.808 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.599 12.074 3.128 1.00 0.00 C ATOM 0 H PHE A 81 0.871 11.272 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 81 2.240 12.211 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.018 9.584 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.605 9.784 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.436 11.254 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.011 10.745 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.735 12.261 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.181 11.758 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.544 12.512 3.413 1.00 0.00 H new ATOM 1252 N GLY A 82 3.922 10.642 0.054 1.00 0.00 N ATOM 1253 CA GLY A 82 5.233 9.990 -0.226 1.00 0.00 C ATOM 1254 C GLY A 82 5.028 8.874 -1.254 1.00 0.00 C ATOM 1255 O GLY A 82 4.248 9.006 -2.179 1.00 0.00 O ATOM 0 H GLY A 82 3.390 10.918 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.945 10.724 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.654 9.582 0.693 1.00 0.00 H new ATOM 1259 N TYR A 83 5.649 7.744 -1.050 1.00 0.00 N ATOM 1260 CA TYR A 83 5.403 6.587 -1.959 1.00 0.00 C ATOM 1261 C TYR A 83 4.332 5.670 -1.362 1.00 0.00 C ATOM 1262 O TYR A 83 4.313 5.419 -0.174 1.00 0.00 O ATOM 1263 CB TYR A 83 6.743 5.857 -2.059 1.00 0.00 C ATOM 1264 CG TYR A 83 7.243 5.923 -3.482 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.479 7.165 -4.087 1.00 0.00 C ATOM 1266 CD2 TYR A 83 7.467 4.740 -4.200 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.941 7.223 -5.410 1.00 0.00 C ATOM 1268 CE2 TYR A 83 7.927 4.798 -5.523 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.164 6.040 -6.129 1.00 0.00 C ATOM 1270 OH TYR A 83 8.616 6.098 -7.431 1.00 0.00 O ATOM 0 H TYR A 83 6.314 7.572 -0.296 1.00 0.00 H new ATOM 0 HA TYR A 83 5.045 6.902 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.469 6.312 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.628 4.818 -1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 83 7.305 8.077 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.285 3.783 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.125 8.180 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.099 3.886 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 83 8.719 5.189 -7.782 1.00 0.00 H new ATOM 1280 N HIS A 84 3.417 5.210 -2.170 1.00 0.00 N ATOM 1281 CA HIS A 84 2.311 4.358 -1.640 1.00 0.00 C ATOM 1282 C HIS A 84 2.195 3.059 -2.438 1.00 0.00 C ATOM 1283 O HIS A 84 1.738 3.054 -3.564 1.00 0.00 O ATOM 1284 CB HIS A 84 1.040 5.194 -1.815 1.00 0.00 C ATOM 1285 CG HIS A 84 0.750 5.933 -0.541 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.345 6.772 -0.404 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.405 5.970 0.663 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.317 7.275 0.843 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.730 6.818 1.538 1.00 0.00 N ATOM 0 H HIS A 84 3.386 5.386 -3.174 1.00 0.00 H new ATOM 0 HA HIS A 84 2.484 4.078 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.165 5.899 -2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.200 4.549 -2.074 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.045 6.972 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.307 5.425 0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.051 7.964 1.235 1.00 0.00 H new ATOM 1297 N ILE A 85 2.453 1.945 -1.811 1.00 0.00 N ATOM 1298 CA ILE A 85 2.182 0.641 -2.484 1.00 0.00 C ATOM 1299 C ILE A 85 1.012 -0.063 -1.785 1.00 0.00 C ATOM 1300 O ILE A 85 0.895 -0.014 -0.577 1.00 0.00 O ATOM 1301 CB ILE A 85 3.479 -0.160 -2.341 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.471 -1.326 -3.330 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.594 -0.700 -0.915 1.00 0.00 C ATOM 1304 CD1 ILE A 85 4.891 -1.561 -3.851 1.00 0.00 C ATOM 0 H ILE A 85 2.837 1.879 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 85 1.903 0.754 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 85 4.329 0.488 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.096 -2.227 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.799 -1.109 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.518 -1.270 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.603 0.132 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.743 -1.347 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.887 -2.392 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.248 -0.661 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.551 -1.797 -3.016 1.00 0.00 H new ATOM 1316 N ILE A 86 0.048 -0.525 -2.537 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.215 -0.997 -1.897 1.00 0.00 C ATOM 1318 C ILE A 86 -1.677 -2.331 -2.501 1.00 0.00 C ATOM 1319 O ILE A 86 -1.864 -2.447 -3.697 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.229 0.098 -2.221 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.730 1.434 -1.668 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.574 -0.251 -1.578 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.609 2.568 -2.201 1.00 0.00 C ATOM 0 H ILE A 86 0.079 -0.596 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.092 -1.167 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.351 0.176 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.756 1.421 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.692 1.596 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.300 0.529 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.929 -1.204 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.452 -0.327 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.253 3.520 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.560 2.585 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.640 2.408 -1.886 1.00 0.00 H new ATOM 1335 N LYS A 87 -2.016 -3.285 -1.673 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.643 -4.535 -2.200 1.00 0.00 C ATOM 1337 C LYS A 87 -4.163 -4.473 -2.023 1.00 0.00 C ATOM 1338 O LYS A 87 -4.657 -4.010 -1.013 1.00 0.00 O ATOM 1339 CB LYS A 87 -2.063 -5.672 -1.360 1.00 0.00 C ATOM 1340 CG LYS A 87 -0.540 -5.646 -1.452 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.017 -7.074 -1.617 1.00 0.00 C ATOM 1342 CE LYS A 87 1.493 -7.040 -1.873 1.00 0.00 C ATOM 1343 NZ LYS A 87 1.809 -8.333 -2.550 1.00 0.00 N ATOM 0 H LYS A 87 -1.887 -3.254 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.441 -4.674 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.377 -5.568 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.443 -6.630 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.226 -5.032 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.118 -5.194 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.231 -7.657 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.526 -7.565 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.766 -6.191 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.048 -6.939 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.832 -8.511 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.298 -9.106 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.517 -8.283 -3.547 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.907 -4.944 -2.991 1.00 0.00 N ATOM 1358 CA VAL A 88 -6.394 -4.918 -2.871 1.00 0.00 C ATOM 1359 C VAL A 88 -6.933 -6.343 -2.695 1.00 0.00 C ATOM 1360 O VAL A 88 -6.578 -7.245 -3.426 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.890 -4.321 -4.191 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -8.406 -4.119 -4.122 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -6.206 -2.976 -4.437 1.00 0.00 C ATOM 0 H VAL A 88 -4.549 -5.345 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.728 -4.339 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.650 -5.002 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.760 -3.694 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.894 -5.079 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.646 -3.440 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.561 -2.554 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.442 -2.293 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.127 -3.121 -4.489 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.767 -6.557 -1.712 1.00 0.00 N ATOM 1374 CA LEU A 89 -8.303 -7.915 -1.466 1.00 0.00 C ATOM 1375 C LEU A 89 -9.788 -7.823 -1.113 1.00 0.00 C ATOM 1376 O LEU A 89 -10.429 -6.817 -1.334 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.497 -8.446 -0.279 1.00 0.00 C ATOM 1378 CG LEU A 89 -6.013 -8.482 -0.644 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.195 -8.903 0.579 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.789 -9.486 -1.777 1.00 0.00 C ATOM 0 H LEU A 89 -8.099 -5.839 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.218 -8.567 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.652 -7.811 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.841 -9.445 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.696 -7.491 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.137 -8.928 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.353 -8.187 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.512 -9.893 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.731 -9.511 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.107 -10.477 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.370 -9.186 -2.649 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.322 -8.876 -0.575 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.778 -8.927 -0.212 1.00 0.00 C ATOM 1394 C TYR A 90 -12.643 -8.137 -1.213 1.00 0.00 C ATOM 1395 O TYR A 90 -13.190 -8.703 -2.137 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.858 -8.307 1.184 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.359 -9.305 2.202 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -9.983 -9.532 2.347 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -12.274 -10.009 2.998 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.522 -10.462 3.289 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -11.812 -10.939 3.941 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.437 -11.165 4.087 1.00 0.00 C ATOM 1403 OH TYR A 90 -9.983 -12.081 5.015 1.00 0.00 O ATOM 0 H TYR A 90 -9.806 -9.730 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.160 -9.948 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.259 -7.397 1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.886 -8.022 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.279 -8.990 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.334 -9.835 2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.462 -10.637 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.516 -11.481 4.555 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.747 -12.478 5.484 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.802 -6.853 -1.024 1.00 0.00 N ATOM 1414 CA ARG A 91 -13.666 -6.059 -1.955 1.00 0.00 C ATOM 1415 C ARG A 91 -15.107 -6.573 -1.934 1.00 0.00 C ATOM 1416 O ARG A 91 -15.715 -6.786 -2.963 1.00 0.00 O ATOM 1417 CB ARG A 91 -13.061 -6.263 -3.340 1.00 0.00 C ATOM 1418 CG ARG A 91 -13.711 -5.288 -4.324 1.00 0.00 C ATOM 1419 CD ARG A 91 -13.295 -5.646 -5.752 1.00 0.00 C ATOM 1420 NE ARG A 91 -13.921 -6.974 -6.009 1.00 0.00 N ATOM 1421 CZ ARG A 91 -14.034 -7.423 -7.231 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.598 -6.713 -8.237 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -14.586 -8.585 -7.446 1.00 0.00 N ATOM 0 H ARG A 91 -12.373 -6.319 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.699 -5.008 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.984 -6.100 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.218 -7.290 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.796 -5.330 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.410 -4.267 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.645 -4.899 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.210 -5.695 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.262 -7.534 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.167 -5.804 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.689 -7.068 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.928 -9.140 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.676 -8.939 -8.399 1.00 0.00 H new