USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 39 LYS NZ :NH3+ 147:sc= -1.13 (180deg=0) USER MOD Set 1.2: A 44 ASN : amide:sc= -1.23 K(o=-2.4,f=-0.34) USER MOD Set 2.1: A 28 MET CE :methyl -142:sc= -0.888 (180deg=-1.3) USER MOD Set 2.2: A 33 SER OG : rot -63:sc= -0.893 USER MOD Single : A 9 THR OG1 : rot -28:sc= 0.875 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 111:sc= 0.0254 USER MOD Single : A 16 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.26 K(o=-1.3,f=-7.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.2 (180deg=-0.406) USER MOD Single : A 45 GLN : amide:sc= -2.58 K(o=-2.6,f=-5.9!) USER MOD Single : A 47 CYS SG : rot -60:sc= 0.68 USER MOD Single : A 48 CYS SG : rot 7:sc= -6.27! USER MOD Single : A 51 TYR OH : rot -130:sc= -2.38! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.661 USER MOD Single : A 65 THR OG1 : rot -153:sc= -5.36! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.491 -5.604 0.679 1.00 0.00 N ATOM 74 CA THR A 9 11.731 -4.388 0.443 1.00 0.00 C ATOM 75 C THR A 9 10.376 -4.719 -0.185 1.00 0.00 C ATOM 76 O THR A 9 10.119 -5.866 -0.547 1.00 0.00 O ATOM 77 CB THR A 9 12.587 -3.455 -0.416 1.00 0.00 C ATOM 78 OG1 THR A 9 13.349 -4.338 -1.234 1.00 0.00 O ATOM 79 CG2 THR A 9 13.640 -2.705 0.404 1.00 0.00 C ATOM 0 HA THR A 9 11.504 -3.876 1.378 1.00 0.00 H new ATOM 0 HB THR A 9 11.943 -2.737 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.483 -5.187 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.220 -2.057 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.146 -2.101 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.305 -3.422 0.885 1.00 0.00 H new ATOM 87 N VAL A 10 9.545 -3.693 -0.295 1.00 0.00 N ATOM 88 CA VAL A 10 8.222 -3.860 -0.874 1.00 0.00 C ATOM 89 C VAL A 10 7.880 -2.631 -1.718 1.00 0.00 C ATOM 90 O VAL A 10 8.305 -1.520 -1.405 1.00 0.00 O ATOM 91 CB VAL A 10 7.199 -4.130 0.231 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.779 -3.827 -0.251 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.309 -5.568 0.742 1.00 0.00 C ATOM 0 H VAL A 10 9.762 -2.743 0.007 1.00 0.00 H new ATOM 0 HA VAL A 10 8.201 -4.725 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 10 7.421 -3.461 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.071 -4.027 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.710 -2.779 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.543 -4.459 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.571 -5.733 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.126 -6.261 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.308 -5.736 1.143 1.00 0.00 H new ATOM 103 N LYS A 11 7.115 -2.872 -2.773 1.00 0.00 N ATOM 104 CA LYS A 11 6.711 -1.799 -3.665 1.00 0.00 C ATOM 105 C LYS A 11 5.312 -1.317 -3.276 1.00 0.00 C ATOM 106 O LYS A 11 4.401 -2.124 -3.098 1.00 0.00 O ATOM 107 CB LYS A 11 6.824 -2.244 -5.125 1.00 0.00 C ATOM 108 CG LYS A 11 8.289 -2.349 -5.554 1.00 0.00 C ATOM 109 CD LYS A 11 8.476 -3.449 -6.601 1.00 0.00 C ATOM 110 CE LYS A 11 9.893 -4.025 -6.544 1.00 0.00 C ATOM 111 NZ LYS A 11 10.105 -4.990 -7.645 1.00 0.00 N ATOM 0 H LYS A 11 6.764 -3.795 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 11 7.382 -0.946 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.333 -3.209 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.303 -1.533 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.622 -1.394 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.912 -2.560 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.749 -4.244 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.283 -3.046 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.623 -3.218 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.053 -4.518 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.071 -5.371 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.421 -5.769 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.972 -4.510 -8.558 1.00 0.00 H new ATOM 125 N VAL A 12 5.186 -0.004 -3.155 1.00 0.00 N ATOM 126 CA VAL A 12 3.914 0.595 -2.790 1.00 0.00 C ATOM 127 C VAL A 12 3.415 1.466 -3.945 1.00 0.00 C ATOM 128 O VAL A 12 4.097 2.402 -4.361 1.00 0.00 O ATOM 129 CB VAL A 12 4.056 1.367 -1.477 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.877 2.320 -1.270 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.203 0.411 -0.292 1.00 0.00 C ATOM 0 H VAL A 12 5.944 0.662 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 12 3.164 -0.177 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 12 4.964 1.967 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.003 2.856 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.838 3.034 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.949 1.749 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.302 0.986 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.322 -0.228 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.090 -0.207 -0.431 1.00 0.00 H new ATOM 141 N TYR A 13 2.229 1.128 -4.430 1.00 0.00 N ATOM 142 CA TYR A 13 1.632 1.867 -5.529 1.00 0.00 C ATOM 143 C TYR A 13 0.679 2.946 -5.009 1.00 0.00 C ATOM 144 O TYR A 13 -0.370 2.635 -4.448 1.00 0.00 O ATOM 145 CB TYR A 13 0.832 0.845 -6.339 1.00 0.00 C ATOM 146 CG TYR A 13 1.693 -0.053 -7.230 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.698 0.497 -7.998 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.463 -1.414 -7.264 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.508 -0.349 -8.836 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.273 -2.260 -8.102 1.00 0.00 C ATOM 151 CZ TYR A 13 3.256 -1.686 -8.847 1.00 0.00 C ATOM 152 OH TYR A 13 4.021 -2.484 -9.638 1.00 0.00 O ATOM 0 H TYR A 13 1.666 0.352 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 13 2.401 2.361 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.261 0.219 -5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.111 1.374 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.877 1.562 -7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.676 -1.844 -6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.298 0.069 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.104 -3.326 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 13 4.589 -3.053 -9.077 1.00 0.00 H new ATOM 162 N LEU A 14 1.079 4.192 -5.216 1.00 0.00 N ATOM 163 CA LEU A 14 0.274 5.319 -4.775 1.00 0.00 C ATOM 164 C LEU A 14 -0.763 5.651 -5.850 1.00 0.00 C ATOM 165 O LEU A 14 -0.628 5.231 -6.999 1.00 0.00 O ATOM 166 CB LEU A 14 1.168 6.501 -4.398 1.00 0.00 C ATOM 167 CG LEU A 14 1.747 6.479 -2.981 1.00 0.00 C ATOM 168 CD1 LEU A 14 2.995 7.359 -2.885 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.688 6.872 -1.950 1.00 0.00 C ATOM 0 H LEU A 14 1.949 4.446 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.276 5.063 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.995 6.546 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.593 7.419 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 14 2.054 5.458 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.386 7.326 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.753 6.993 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.736 8.387 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.125 6.848 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.327 7.878 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.145 6.170 -1.998 1.00 0.00 H new ATOM 181 N PRO A 15 -1.801 6.421 -5.429 1.00 0.00 N ATOM 182 CA PRO A 15 -2.860 6.814 -6.343 1.00 0.00 C ATOM 183 C PRO A 15 -2.384 7.915 -7.293 1.00 0.00 C ATOM 184 O PRO A 15 -3.099 8.292 -8.220 1.00 0.00 O ATOM 185 CB PRO A 15 -4.007 7.257 -5.449 1.00 0.00 C ATOM 186 CG PRO A 15 -3.391 7.536 -4.088 1.00 0.00 C ATOM 187 CD PRO A 15 -1.994 6.937 -4.077 1.00 0.00 C ATOM 0 HA PRO A 15 -3.173 6.001 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.492 8.148 -5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.771 6.482 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.348 8.609 -3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.000 7.099 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.243 7.687 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.909 6.144 -3.335 1.00 0.00 H new ATOM 195 N ASN A 16 -1.180 8.400 -7.030 1.00 0.00 N ATOM 196 CA ASN A 16 -0.600 9.449 -7.850 1.00 0.00 C ATOM 197 C ASN A 16 0.221 8.816 -8.976 1.00 0.00 C ATOM 198 O ASN A 16 1.298 9.306 -9.315 1.00 0.00 O ATOM 199 CB ASN A 16 0.334 10.339 -7.027 1.00 0.00 C ATOM 200 CG ASN A 16 0.177 11.810 -7.419 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.627 12.252 -8.463 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.486 12.539 -6.527 1.00 0.00 N ATOM 0 H ASN A 16 -0.590 8.085 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.415 10.053 -8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.117 10.217 -5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.367 10.027 -7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.645 13.532 -6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.836 12.105 -5.673 1.00 0.00 H new ATOM 209 N LYS A 17 -0.319 7.738 -9.524 1.00 0.00 N ATOM 210 CA LYS A 17 0.350 7.033 -10.604 1.00 0.00 C ATOM 211 C LYS A 17 1.842 6.913 -10.283 1.00 0.00 C ATOM 212 O LYS A 17 2.672 6.851 -11.188 1.00 0.00 O ATOM 213 CB LYS A 17 0.062 7.710 -11.945 1.00 0.00 C ATOM 214 CG LYS A 17 -1.370 7.430 -12.405 1.00 0.00 C ATOM 215 CD LYS A 17 -1.590 7.913 -13.839 1.00 0.00 C ATOM 216 CE LYS A 17 -1.987 6.753 -14.754 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.714 7.255 -15.942 1.00 0.00 N ATOM 0 H LYS A 17 -1.212 7.335 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.039 6.019 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.215 8.785 -11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.766 7.351 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.573 6.361 -12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.074 7.928 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.369 8.676 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.679 8.380 -14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.096 6.209 -15.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.614 6.049 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.976 6.455 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.574 7.754 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.103 7.909 -16.472 1.00 0.00 H new ATOM 231 N GLN A 18 2.136 6.886 -8.991 1.00 0.00 N ATOM 232 CA GLN A 18 3.512 6.775 -8.540 1.00 0.00 C ATOM 233 C GLN A 18 3.681 5.543 -7.649 1.00 0.00 C ATOM 234 O GLN A 18 2.697 4.930 -7.238 1.00 0.00 O ATOM 235 CB GLN A 18 3.953 8.045 -7.809 1.00 0.00 C ATOM 236 CG GLN A 18 4.353 9.138 -8.802 1.00 0.00 C ATOM 237 CD GLN A 18 5.649 9.826 -8.368 1.00 0.00 C ATOM 238 OE1 GLN A 18 5.650 10.787 -7.616 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.748 9.283 -8.882 1.00 0.00 N ATOM 0 H GLN A 18 1.445 6.939 -8.243 1.00 0.00 H new ATOM 0 HA GLN A 18 4.152 6.657 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.142 8.404 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.794 7.818 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.482 8.704 -9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.554 9.875 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.676 8.479 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.663 9.670 -8.653 1.00 0.00 H new ATOM 248 N ARG A 19 4.936 5.217 -7.376 1.00 0.00 N ATOM 249 CA ARG A 19 5.247 4.069 -6.541 1.00 0.00 C ATOM 250 C ARG A 19 6.441 4.379 -5.636 1.00 0.00 C ATOM 251 O ARG A 19 7.301 5.183 -5.991 1.00 0.00 O ATOM 252 CB ARG A 19 5.566 2.839 -7.392 1.00 0.00 C ATOM 253 CG ARG A 19 6.676 3.143 -8.400 1.00 0.00 C ATOM 254 CD ARG A 19 6.092 3.568 -9.748 1.00 0.00 C ATOM 255 NE ARG A 19 6.712 4.836 -10.192 1.00 0.00 N ATOM 256 CZ ARG A 19 6.289 5.552 -11.243 1.00 0.00 C ATOM 257 NH1 ARG A 19 5.243 5.128 -11.965 1.00 0.00 N ATOM 258 NH2 ARG A 19 6.913 6.692 -11.571 1.00 0.00 N ATOM 0 H ARG A 19 5.750 5.728 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 19 4.370 3.856 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.871 2.015 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.669 2.515 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.318 3.934 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.303 2.261 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.266 2.789 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.012 3.692 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 19 7.512 5.187 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.769 4.260 -11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.921 5.673 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.709 7.014 -11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.592 7.237 -12.371 1.00 0.00 H new ATOM 272 N THR A 20 6.456 3.723 -4.485 1.00 0.00 N ATOM 273 CA THR A 20 7.531 3.918 -3.526 1.00 0.00 C ATOM 274 C THR A 20 7.912 2.587 -2.874 1.00 0.00 C ATOM 275 O THR A 20 7.040 1.815 -2.477 1.00 0.00 O ATOM 276 CB THR A 20 7.082 4.980 -2.522 1.00 0.00 C ATOM 277 OG1 THR A 20 8.296 5.430 -1.926 1.00 0.00 O ATOM 278 CG2 THR A 20 6.291 4.386 -1.354 1.00 0.00 C ATOM 0 H THR A 20 5.741 3.056 -4.195 1.00 0.00 H new ATOM 0 HA THR A 20 8.437 4.275 -4.015 1.00 0.00 H new ATOM 0 HB THR A 20 6.471 5.725 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.097 6.123 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.997 5.183 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.400 3.887 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.912 3.665 -0.823 1.00 0.00 H new ATOM 286 N VAL A 21 9.214 2.360 -2.784 1.00 0.00 N ATOM 287 CA VAL A 21 9.720 1.136 -2.186 1.00 0.00 C ATOM 288 C VAL A 21 9.963 1.365 -0.693 1.00 0.00 C ATOM 289 O VAL A 21 10.579 2.357 -0.306 1.00 0.00 O ATOM 290 CB VAL A 21 10.973 0.670 -2.931 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.263 -0.805 -2.646 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.843 0.923 -4.434 1.00 0.00 C ATOM 0 H VAL A 21 9.934 3.003 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 21 8.987 0.335 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 21 11.817 1.254 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.158 -1.111 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.420 -0.945 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.418 -1.411 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.747 0.583 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.983 0.377 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.707 1.990 -4.613 1.00 0.00 H new ATOM 302 N VAL A 22 9.465 0.431 0.104 1.00 0.00 N ATOM 303 CA VAL A 22 9.620 0.519 1.546 1.00 0.00 C ATOM 304 C VAL A 22 10.334 -0.735 2.055 1.00 0.00 C ATOM 305 O VAL A 22 10.401 -1.744 1.354 1.00 0.00 O ATOM 306 CB VAL A 22 8.258 0.741 2.207 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.413 1.019 3.703 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.491 1.870 1.515 1.00 0.00 C ATOM 0 H VAL A 22 8.954 -0.390 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 22 10.238 1.376 1.812 1.00 0.00 H new ATOM 0 HB VAL A 22 7.678 -0.175 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.430 1.173 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.899 0.170 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.020 1.913 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.527 2.008 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.066 2.794 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.333 1.614 0.467 1.00 0.00 H new ATOM 318 N THR A 23 10.850 -0.631 3.272 1.00 0.00 N ATOM 319 CA THR A 23 11.556 -1.745 3.883 1.00 0.00 C ATOM 320 C THR A 23 10.573 -2.668 4.605 1.00 0.00 C ATOM 321 O THR A 23 9.620 -2.201 5.228 1.00 0.00 O ATOM 322 CB THR A 23 12.638 -1.172 4.800 1.00 0.00 C ATOM 323 OG1 THR A 23 13.386 -0.302 3.954 1.00 0.00 O ATOM 324 CG2 THR A 23 13.653 -2.229 5.239 1.00 0.00 C ATOM 0 H THR A 23 10.793 0.207 3.851 1.00 0.00 H new ATOM 0 HA THR A 23 12.042 -2.366 3.131 1.00 0.00 H new ATOM 0 HB THR A 23 12.171 -0.730 5.680 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.108 0.114 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.399 -1.770 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.140 -3.023 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.145 -2.648 4.361 1.00 0.00 H new ATOM 332 N VAL A 24 10.838 -3.962 4.498 1.00 0.00 N ATOM 333 CA VAL A 24 9.988 -4.954 5.134 1.00 0.00 C ATOM 334 C VAL A 24 10.474 -5.194 6.565 1.00 0.00 C ATOM 335 O VAL A 24 11.540 -5.773 6.773 1.00 0.00 O ATOM 336 CB VAL A 24 9.955 -6.231 4.292 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.666 -7.018 4.539 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.126 -5.912 2.805 1.00 0.00 C ATOM 0 H VAL A 24 11.629 -4.346 3.981 1.00 0.00 H new ATOM 0 HA VAL A 24 8.961 -4.594 5.196 1.00 0.00 H new ATOM 0 HB VAL A 24 10.793 -6.856 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.668 -7.921 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.603 -7.292 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.807 -6.402 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.099 -6.837 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.318 -5.257 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.083 -5.414 2.647 1.00 0.00 H new ATOM 348 N ARG A 25 9.670 -4.738 7.513 1.00 0.00 N ATOM 349 CA ARG A 25 10.004 -4.896 8.918 1.00 0.00 C ATOM 350 C ARG A 25 9.051 -5.892 9.582 1.00 0.00 C ATOM 351 O ARG A 25 7.915 -6.058 9.141 1.00 0.00 O ATOM 352 CB ARG A 25 9.929 -3.558 9.656 1.00 0.00 C ATOM 353 CG ARG A 25 10.857 -2.525 9.015 1.00 0.00 C ATOM 354 CD ARG A 25 11.384 -1.539 10.059 1.00 0.00 C ATOM 355 NE ARG A 25 12.542 -2.125 10.771 1.00 0.00 N ATOM 356 CZ ARG A 25 13.780 -2.192 10.263 1.00 0.00 C ATOM 357 NH1 ARG A 25 14.029 -1.709 9.038 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.770 -2.741 10.980 1.00 0.00 N ATOM 0 H ARG A 25 8.787 -4.259 7.336 1.00 0.00 H new ATOM 0 HA ARG A 25 11.025 -5.272 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.904 -3.188 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.203 -3.699 10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.693 -3.032 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.321 -1.983 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.678 -0.607 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.595 -1.294 10.770 1.00 0.00 H new ATOM 0 HE ARG A 25 12.388 -2.501 11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.276 -1.290 8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.972 -1.760 8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.581 -3.108 11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.712 -2.792 10.593 1.00 0.00 H new ATOM 372 N ASP A 26 9.549 -6.529 10.632 1.00 0.00 N ATOM 373 CA ASP A 26 8.756 -7.504 11.361 1.00 0.00 C ATOM 374 C ASP A 26 8.361 -6.921 12.720 1.00 0.00 C ATOM 375 O ASP A 26 8.852 -7.365 13.756 1.00 0.00 O ATOM 376 CB ASP A 26 9.553 -8.786 11.611 1.00 0.00 C ATOM 377 CG ASP A 26 10.952 -8.575 12.192 1.00 0.00 C ATOM 378 OD1 ASP A 26 11.712 -7.799 11.574 1.00 0.00 O ATOM 379 OD2 ASP A 26 11.230 -9.195 13.241 1.00 0.00 O ATOM 0 H ASP A 26 10.492 -6.389 10.995 1.00 0.00 H new ATOM 0 HA ASP A 26 7.875 -7.737 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.986 -9.422 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.645 -9.328 10.670 1.00 0.00 H new ATOM 384 N GLY A 27 7.479 -5.934 12.670 1.00 0.00 N ATOM 385 CA GLY A 27 7.013 -5.285 13.884 1.00 0.00 C ATOM 386 C GLY A 27 6.000 -4.184 13.563 1.00 0.00 C ATOM 387 O GLY A 27 4.856 -4.238 14.012 1.00 0.00 O ATOM 0 H GLY A 27 7.075 -5.568 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.556 -6.023 14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.860 -4.859 14.421 1.00 0.00 H new ATOM 391 N MET A 28 6.456 -3.212 12.788 1.00 0.00 N ATOM 392 CA MET A 28 5.604 -2.100 12.401 1.00 0.00 C ATOM 393 C MET A 28 4.334 -2.598 11.709 1.00 0.00 C ATOM 394 O MET A 28 4.259 -3.755 11.298 1.00 0.00 O ATOM 395 CB MET A 28 6.371 -1.173 11.456 1.00 0.00 C ATOM 396 CG MET A 28 6.344 -1.706 10.023 1.00 0.00 C ATOM 397 SD MET A 28 7.687 -1.002 9.083 1.00 0.00 S ATOM 398 CE MET A 28 7.095 0.673 8.902 1.00 0.00 C ATOM 0 H MET A 28 7.405 -3.171 12.417 1.00 0.00 H new ATOM 0 HA MET A 28 5.316 -1.557 13.301 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.933 -0.175 11.485 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.403 -1.078 11.793 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.425 -2.793 10.029 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.392 -1.460 9.553 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.349 1.043 7.909 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.013 0.692 9.031 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.561 1.307 9.656 1.00 0.00 H new ATOM 408 N SER A 29 3.367 -1.699 11.601 1.00 0.00 N ATOM 409 CA SER A 29 2.103 -2.032 10.965 1.00 0.00 C ATOM 410 C SER A 29 2.068 -1.469 9.543 1.00 0.00 C ATOM 411 O SER A 29 3.066 -0.938 9.057 1.00 0.00 O ATOM 412 CB SER A 29 0.921 -1.499 11.776 1.00 0.00 C ATOM 413 OG SER A 29 0.966 -0.082 11.918 1.00 0.00 O ATOM 0 H SER A 29 3.433 -0.740 11.943 1.00 0.00 H new ATOM 0 HA SER A 29 2.018 -3.118 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.011 -1.785 11.289 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.920 -1.962 12.763 1.00 0.00 H new ATOM 0 HG SER A 29 0.193 0.219 12.440 1.00 0.00 H new ATOM 419 N VAL A 30 0.909 -1.603 8.916 1.00 0.00 N ATOM 420 CA VAL A 30 0.731 -1.114 7.559 1.00 0.00 C ATOM 421 C VAL A 30 0.562 0.406 7.588 1.00 0.00 C ATOM 422 O VAL A 30 1.003 1.101 6.673 1.00 0.00 O ATOM 423 CB VAL A 30 -0.444 -1.834 6.894 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.659 -1.328 5.466 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.241 -3.350 6.914 1.00 0.00 C ATOM 0 H VAL A 30 0.084 -2.043 9.322 1.00 0.00 H new ATOM 0 HA VAL A 30 1.612 -1.332 6.955 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.343 -1.610 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.500 -1.856 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.871 -0.259 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.240 -1.508 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.090 -3.837 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.673 -3.602 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.160 -3.693 7.946 1.00 0.00 H new ATOM 435 N TYR A 31 -0.078 0.879 8.648 1.00 0.00 N ATOM 436 CA TYR A 31 -0.310 2.304 8.807 1.00 0.00 C ATOM 437 C TYR A 31 1.011 3.062 8.954 1.00 0.00 C ATOM 438 O TYR A 31 1.298 3.972 8.178 1.00 0.00 O ATOM 439 CB TYR A 31 -1.118 2.458 10.097 1.00 0.00 C ATOM 440 CG TYR A 31 -1.241 3.902 10.586 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.292 4.424 11.442 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.301 4.683 10.172 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.408 5.783 11.902 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.416 6.043 10.632 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.464 6.526 11.475 1.00 0.00 C ATOM 446 OH TYR A 31 -1.573 7.810 11.910 1.00 0.00 O ATOM 0 H TYR A 31 -0.443 0.300 9.405 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.829 2.708 7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.117 2.053 9.938 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.652 1.859 10.879 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.537 3.813 11.766 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.044 4.274 9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.328 6.203 12.572 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.240 6.665 10.315 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.375 8.220 11.523 1.00 0.00 H new ATOM 456 N ASP A 32 1.780 2.658 9.955 1.00 0.00 N ATOM 457 CA ASP A 32 3.064 3.288 10.213 1.00 0.00 C ATOM 458 C ASP A 32 3.971 3.105 8.995 1.00 0.00 C ATOM 459 O ASP A 32 4.975 3.802 8.854 1.00 0.00 O ATOM 460 CB ASP A 32 3.757 2.651 11.419 1.00 0.00 C ATOM 461 CG ASP A 32 3.490 3.342 12.758 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.114 4.533 12.717 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.667 2.663 13.792 1.00 0.00 O ATOM 0 H ASP A 32 1.539 1.903 10.597 1.00 0.00 H new ATOM 0 HA ASP A 32 2.887 4.344 10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.439 1.611 11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.832 2.644 11.239 1.00 0.00 H new ATOM 468 N SER A 33 3.585 2.164 8.146 1.00 0.00 N ATOM 469 CA SER A 33 4.352 1.880 6.944 1.00 0.00 C ATOM 470 C SER A 33 3.886 2.784 5.801 1.00 0.00 C ATOM 471 O SER A 33 4.662 3.588 5.286 1.00 0.00 O ATOM 472 CB SER A 33 4.223 0.409 6.543 1.00 0.00 C ATOM 473 OG SER A 33 5.377 -0.345 6.904 1.00 0.00 O ATOM 0 H SER A 33 2.752 1.588 8.266 1.00 0.00 H new ATOM 0 HA SER A 33 5.403 2.081 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.344 -0.022 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.066 0.339 5.467 1.00 0.00 H new ATOM 0 HG SER A 33 6.156 -0.005 6.416 1.00 0.00 H new ATOM 479 N LEU A 34 2.622 2.623 5.438 1.00 0.00 N ATOM 480 CA LEU A 34 2.045 3.414 4.366 1.00 0.00 C ATOM 481 C LEU A 34 1.912 4.868 4.825 1.00 0.00 C ATOM 482 O LEU A 34 1.624 5.753 4.020 1.00 0.00 O ATOM 483 CB LEU A 34 0.727 2.796 3.893 1.00 0.00 C ATOM 484 CG LEU A 34 0.829 1.809 2.729 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.458 2.471 1.502 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.581 0.544 3.147 1.00 0.00 C ATOM 0 H LEU A 34 1.981 1.956 5.868 1.00 0.00 H new ATOM 0 HA LEU A 34 2.702 3.412 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.265 2.285 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.054 3.603 3.602 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.180 1.506 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.519 1.747 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.845 3.316 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.460 2.822 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.639 -0.141 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.588 0.809 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.052 0.061 3.969 1.00 0.00 H new ATOM 498 N ASP A 35 2.129 5.069 6.116 1.00 0.00 N ATOM 499 CA ASP A 35 2.038 6.400 6.692 1.00 0.00 C ATOM 500 C ASP A 35 2.747 7.398 5.774 1.00 0.00 C ATOM 501 O ASP A 35 2.100 8.217 5.123 1.00 0.00 O ATOM 502 CB ASP A 35 2.715 6.455 8.063 1.00 0.00 C ATOM 503 CG ASP A 35 2.984 7.864 8.595 1.00 0.00 C ATOM 504 OD1 ASP A 35 4.001 8.449 8.165 1.00 0.00 O ATOM 505 OD2 ASP A 35 2.166 8.324 9.421 1.00 0.00 O ATOM 0 H ASP A 35 2.368 4.332 6.780 1.00 0.00 H new ATOM 0 HA ASP A 35 0.982 6.648 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.090 5.925 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.662 5.918 8.006 1.00 0.00 H new ATOM 510 N LYS A 36 4.068 7.296 5.751 1.00 0.00 N ATOM 511 CA LYS A 36 4.872 8.180 4.924 1.00 0.00 C ATOM 512 C LYS A 36 4.395 8.087 3.473 1.00 0.00 C ATOM 513 O LYS A 36 4.152 9.107 2.830 1.00 0.00 O ATOM 514 CB LYS A 36 6.361 7.873 5.102 1.00 0.00 C ATOM 515 CG LYS A 36 6.891 8.470 6.407 1.00 0.00 C ATOM 516 CD LYS A 36 6.814 9.998 6.382 1.00 0.00 C ATOM 517 CE LYS A 36 7.340 10.552 5.056 1.00 0.00 C ATOM 518 NZ LYS A 36 8.711 10.059 4.796 1.00 0.00 N ATOM 0 H LYS A 36 4.601 6.615 6.292 1.00 0.00 H new ATOM 0 HA LYS A 36 4.744 9.216 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.516 6.794 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.922 8.276 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.313 8.087 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.924 8.157 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.782 10.316 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.395 10.409 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.679 10.253 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.338 11.642 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.299 10.840 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.121 9.691 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.678 9.299 4.087 1.00 0.00 H new ATOM 532 N ALA A 37 4.274 6.856 3.000 1.00 0.00 N ATOM 533 CA ALA A 37 3.830 6.617 1.638 1.00 0.00 C ATOM 534 C ALA A 37 2.707 7.597 1.293 1.00 0.00 C ATOM 535 O ALA A 37 2.546 7.981 0.135 1.00 0.00 O ATOM 536 CB ALA A 37 3.395 5.157 1.490 1.00 0.00 C ATOM 0 H ALA A 37 4.476 6.012 3.537 1.00 0.00 H new ATOM 0 HA ALA A 37 4.645 6.787 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.062 4.978 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.236 4.502 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.577 4.949 2.180 1.00 0.00 H new ATOM 542 N LEU A 38 1.959 7.975 2.319 1.00 0.00 N ATOM 543 CA LEU A 38 0.856 8.904 2.139 1.00 0.00 C ATOM 544 C LEU A 38 1.363 10.334 2.329 1.00 0.00 C ATOM 545 O LEU A 38 1.261 11.159 1.422 1.00 0.00 O ATOM 546 CB LEU A 38 -0.309 8.536 3.060 1.00 0.00 C ATOM 547 CG LEU A 38 -0.965 7.178 2.804 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.247 7.024 3.625 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.213 6.963 1.309 1.00 0.00 C ATOM 0 H LEU A 38 2.095 7.655 3.278 1.00 0.00 H new ATOM 0 HA LEU A 38 0.463 8.838 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.048 8.556 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.073 9.308 2.972 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.277 6.399 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.693 6.050 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.011 7.103 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.951 7.809 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.680 5.990 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.872 7.746 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.264 6.999 0.774 1.00 0.00 H new ATOM 561 N LYS A 39 1.898 10.586 3.515 1.00 0.00 N ATOM 562 CA LYS A 39 2.421 11.903 3.836 1.00 0.00 C ATOM 563 C LYS A 39 3.232 12.428 2.650 1.00 0.00 C ATOM 564 O LYS A 39 3.049 13.566 2.222 1.00 0.00 O ATOM 565 CB LYS A 39 3.206 11.863 5.148 1.00 0.00 C ATOM 566 CG LYS A 39 2.392 11.187 6.254 1.00 0.00 C ATOM 567 CD LYS A 39 0.915 11.578 6.164 1.00 0.00 C ATOM 568 CE LYS A 39 0.219 11.404 7.515 1.00 0.00 C ATOM 569 NZ LYS A 39 -1.121 12.034 7.493 1.00 0.00 N ATOM 0 H LYS A 39 1.980 9.900 4.265 1.00 0.00 H new ATOM 0 HA LYS A 39 1.605 12.607 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.142 11.324 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.466 12.877 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.491 10.104 6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.789 11.472 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.829 12.614 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.418 10.964 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.125 10.343 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.825 11.851 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.770 11.492 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.052 13.010 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.484 12.044 6.518 1.00 0.00 H new ATOM 583 N VAL A 40 4.112 11.572 2.151 1.00 0.00 N ATOM 584 CA VAL A 40 4.953 11.935 1.023 1.00 0.00 C ATOM 585 C VAL A 40 4.129 12.742 0.018 1.00 0.00 C ATOM 586 O VAL A 40 4.659 13.617 -0.665 1.00 0.00 O ATOM 587 CB VAL A 40 5.578 10.679 0.411 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.499 9.700 -0.055 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.523 11.041 -0.737 1.00 0.00 C ATOM 0 H VAL A 40 4.261 10.628 2.507 1.00 0.00 H new ATOM 0 HA VAL A 40 5.779 12.567 1.350 1.00 0.00 H new ATOM 0 HB VAL A 40 6.165 10.186 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.971 8.817 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.884 9.405 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.873 10.180 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.954 10.131 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.968 11.569 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.321 11.682 -0.363 1.00 0.00 H new ATOM 599 N ARG A 41 2.845 12.420 -0.042 1.00 0.00 N ATOM 600 CA ARG A 41 1.943 13.104 -0.952 1.00 0.00 C ATOM 601 C ARG A 41 0.989 14.011 -0.171 1.00 0.00 C ATOM 602 O ARG A 41 0.556 15.045 -0.677 1.00 0.00 O ATOM 603 CB ARG A 41 1.127 12.105 -1.774 1.00 0.00 C ATOM 604 CG ARG A 41 2.042 11.127 -2.513 1.00 0.00 C ATOM 605 CD ARG A 41 1.283 10.398 -3.624 1.00 0.00 C ATOM 606 NE ARG A 41 2.121 10.319 -4.842 1.00 0.00 N ATOM 607 CZ ARG A 41 2.512 11.383 -5.555 1.00 0.00 C ATOM 608 NH1 ARG A 41 2.144 12.615 -5.178 1.00 0.00 N ATOM 609 NH2 ARG A 41 3.272 11.216 -6.646 1.00 0.00 N ATOM 0 H ARG A 41 2.408 11.694 0.526 1.00 0.00 H new ATOM 0 HA ARG A 41 2.549 13.705 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.453 11.554 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.506 12.641 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.888 11.666 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.449 10.401 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.012 9.395 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.354 10.923 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 41 2.419 9.396 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.566 12.743 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.442 13.425 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.553 10.278 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.570 12.026 -7.189 1.00 0.00 H new ATOM 623 N GLY A 42 0.688 13.590 1.048 1.00 0.00 N ATOM 624 CA GLY A 42 -0.207 14.351 1.904 1.00 0.00 C ATOM 625 C GLY A 42 -1.510 13.588 2.149 1.00 0.00 C ATOM 626 O GLY A 42 -2.431 14.111 2.776 1.00 0.00 O ATOM 0 H GLY A 42 1.048 12.731 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.282 14.558 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.426 15.314 1.443 1.00 0.00 H new ATOM 630 N LEU A 43 -1.547 12.365 1.643 1.00 0.00 N ATOM 631 CA LEU A 43 -2.723 11.525 1.799 1.00 0.00 C ATOM 632 C LEU A 43 -2.984 11.293 3.289 1.00 0.00 C ATOM 633 O LEU A 43 -2.271 11.825 4.138 1.00 0.00 O ATOM 634 CB LEU A 43 -2.571 10.234 0.993 1.00 0.00 C ATOM 635 CG LEU A 43 -2.865 10.340 -0.505 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.251 9.165 -1.269 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.368 10.467 -0.761 1.00 0.00 C ATOM 0 H LEU A 43 -0.781 11.935 1.124 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.604 12.024 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.552 9.869 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.234 9.482 1.421 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.396 11.249 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.475 9.265 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.171 9.162 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.670 8.230 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.549 10.541 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.880 9.590 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.747 11.361 -0.267 1.00 0.00 H new ATOM 649 N ASN A 44 -4.008 10.497 3.560 1.00 0.00 N ATOM 650 CA ASN A 44 -4.372 10.187 4.933 1.00 0.00 C ATOM 651 C ASN A 44 -5.042 8.813 4.980 1.00 0.00 C ATOM 652 O ASN A 44 -5.572 8.342 3.975 1.00 0.00 O ATOM 653 CB ASN A 44 -5.360 11.216 5.486 1.00 0.00 C ATOM 654 CG ASN A 44 -4.629 12.451 6.015 1.00 0.00 C ATOM 655 OD1 ASN A 44 -4.739 13.544 5.485 1.00 0.00 O ATOM 656 ND2 ASN A 44 -3.877 12.216 7.087 1.00 0.00 N ATOM 0 H ASN A 44 -4.597 10.057 2.853 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.463 10.201 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.059 11.511 4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.948 10.767 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.348 12.976 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.830 11.276 7.481 1.00 0.00 H new ATOM 663 N GLN A 45 -4.998 8.209 6.159 1.00 0.00 N ATOM 664 CA GLN A 45 -5.595 6.898 6.351 1.00 0.00 C ATOM 665 C GLN A 45 -7.067 7.038 6.743 1.00 0.00 C ATOM 666 O GLN A 45 -7.551 6.322 7.618 1.00 0.00 O ATOM 667 CB GLN A 45 -4.823 6.092 7.397 1.00 0.00 C ATOM 668 CG GLN A 45 -3.370 5.883 6.966 1.00 0.00 C ATOM 669 CD GLN A 45 -2.449 6.912 7.624 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.871 7.969 8.066 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.171 6.547 7.665 1.00 0.00 N ATOM 0 H GLN A 45 -4.558 8.603 6.991 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.540 6.353 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.851 6.612 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.305 5.125 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.048 4.877 7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.294 5.962 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.885 5.648 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.477 7.166 8.085 1.00 0.00 H new ATOM 680 N ASP A 46 -7.739 7.964 6.075 1.00 0.00 N ATOM 681 CA ASP A 46 -9.146 8.207 6.343 1.00 0.00 C ATOM 682 C ASP A 46 -9.943 8.048 5.046 1.00 0.00 C ATOM 683 O ASP A 46 -11.008 7.433 5.039 1.00 0.00 O ATOM 684 CB ASP A 46 -9.371 9.628 6.865 1.00 0.00 C ATOM 685 CG ASP A 46 -9.291 9.778 8.385 1.00 0.00 C ATOM 686 OD1 ASP A 46 -8.264 9.339 8.946 1.00 0.00 O ATOM 687 OD2 ASP A 46 -10.260 10.329 8.953 1.00 0.00 O ATOM 0 H ASP A 46 -7.335 8.555 5.349 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.474 7.490 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.632 10.287 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.351 9.970 6.532 1.00 0.00 H new ATOM 692 N CYS A 47 -9.395 8.614 3.980 1.00 0.00 N ATOM 693 CA CYS A 47 -10.041 8.543 2.681 1.00 0.00 C ATOM 694 C CYS A 47 -9.096 7.829 1.713 1.00 0.00 C ATOM 695 O CYS A 47 -9.001 8.201 0.544 1.00 0.00 O ATOM 696 CB CYS A 47 -10.440 9.930 2.171 1.00 0.00 C ATOM 697 SG CYS A 47 -11.980 9.816 1.189 1.00 0.00 S ATOM 0 H CYS A 47 -8.511 9.123 3.990 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.969 7.978 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.585 10.608 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.639 10.346 1.560 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.787 9.035 0.168 1.00 0.00 H new ATOM 703 N CYS A 48 -8.420 6.816 2.235 1.00 0.00 N ATOM 704 CA CYS A 48 -7.486 6.046 1.432 1.00 0.00 C ATOM 705 C CYS A 48 -7.614 4.573 1.825 1.00 0.00 C ATOM 706 O CYS A 48 -7.980 4.258 2.956 1.00 0.00 O ATOM 707 CB CYS A 48 -6.052 6.556 1.589 1.00 0.00 C ATOM 708 SG CYS A 48 -5.887 8.208 0.819 1.00 0.00 S ATOM 0 H CYS A 48 -8.501 6.511 3.205 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.730 6.161 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.790 6.611 2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.356 5.858 1.124 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.057 8.629 0.441 1.00 0.00 H new ATOM 714 N VAL A 49 -7.306 3.710 0.868 1.00 0.00 N ATOM 715 CA VAL A 49 -7.382 2.277 1.100 1.00 0.00 C ATOM 716 C VAL A 49 -6.156 1.600 0.485 1.00 0.00 C ATOM 717 O VAL A 49 -5.548 2.131 -0.443 1.00 0.00 O ATOM 718 CB VAL A 49 -8.704 1.729 0.557 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.914 2.149 -0.899 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.767 0.207 0.703 1.00 0.00 C ATOM 0 H VAL A 49 -7.003 3.975 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.370 2.061 2.168 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.513 2.156 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.860 1.747 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.933 3.237 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.098 1.763 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.716 -0.157 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.946 -0.246 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.684 -0.061 1.756 1.00 0.00 H new ATOM 730 N VAL A 50 -5.829 0.436 1.028 1.00 0.00 N ATOM 731 CA VAL A 50 -4.686 -0.320 0.545 1.00 0.00 C ATOM 732 C VAL A 50 -5.149 -1.711 0.106 1.00 0.00 C ATOM 733 O VAL A 50 -5.790 -2.427 0.874 1.00 0.00 O ATOM 734 CB VAL A 50 -3.596 -0.363 1.617 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.339 -1.062 1.094 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.270 1.043 2.124 1.00 0.00 C ATOM 0 H VAL A 50 -6.336 -0.002 1.798 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.247 0.166 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.976 -0.943 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.580 -1.079 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.585 -2.084 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.956 -0.522 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.492 0.984 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.920 1.657 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.166 1.491 2.554 1.00 0.00 H new ATOM 746 N TYR A 51 -4.805 -2.053 -1.127 1.00 0.00 N ATOM 747 CA TYR A 51 -5.177 -3.345 -1.676 1.00 0.00 C ATOM 748 C TYR A 51 -3.962 -4.270 -1.774 1.00 0.00 C ATOM 749 O TYR A 51 -2.859 -3.821 -2.083 1.00 0.00 O ATOM 750 CB TYR A 51 -5.707 -3.068 -3.085 1.00 0.00 C ATOM 751 CG TYR A 51 -6.619 -1.843 -3.177 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.607 -1.647 -2.234 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.454 -0.936 -4.203 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.466 -0.494 -2.320 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.313 0.217 -4.290 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.276 0.381 -3.344 1.00 0.00 C ATOM 757 OH TYR A 51 -9.087 1.470 -3.426 1.00 0.00 O ATOM 0 H TYR A 51 -4.273 -1.457 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.915 -3.834 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.862 -2.930 -3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.255 -3.943 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.736 -2.358 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.681 -1.090 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.243 -0.328 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.195 0.935 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.449 1.541 -4.334 1.00 0.00 H new ATOM 767 N ARG A 52 -4.205 -5.544 -1.505 1.00 0.00 N ATOM 768 CA ARG A 52 -3.144 -6.536 -1.559 1.00 0.00 C ATOM 769 C ARG A 52 -3.238 -7.343 -2.855 1.00 0.00 C ATOM 770 O ARG A 52 -4.321 -7.501 -3.415 1.00 0.00 O ATOM 771 CB ARG A 52 -3.221 -7.490 -0.365 1.00 0.00 C ATOM 772 CG ARG A 52 -3.429 -6.719 0.940 1.00 0.00 C ATOM 773 CD ARG A 52 -2.610 -7.334 2.077 1.00 0.00 C ATOM 774 NE ARG A 52 -2.975 -8.758 2.251 1.00 0.00 N ATOM 775 CZ ARG A 52 -2.712 -9.472 3.353 1.00 0.00 C ATOM 776 NH1 ARG A 52 -2.079 -8.900 4.387 1.00 0.00 N ATOM 777 NH2 ARG A 52 -3.080 -10.759 3.422 1.00 0.00 N ATOM 0 H ARG A 52 -5.121 -5.913 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.192 -6.006 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.040 -8.194 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.304 -8.076 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.140 -5.677 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.486 -6.724 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.546 -7.247 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.791 -6.788 3.003 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.457 -9.225 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.798 -7.921 4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.879 -9.444 5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.561 -11.195 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.879 -11.302 4.262 1.00 0.00 H new ATOM 791 N LEU A 53 -2.087 -7.834 -3.293 1.00 0.00 N ATOM 792 CA LEU A 53 -2.026 -8.621 -4.513 1.00 0.00 C ATOM 793 C LEU A 53 -2.119 -10.107 -4.161 1.00 0.00 C ATOM 794 O LEU A 53 -1.144 -10.703 -3.704 1.00 0.00 O ATOM 795 CB LEU A 53 -0.780 -8.258 -5.323 1.00 0.00 C ATOM 796 CG LEU A 53 -0.968 -7.185 -6.398 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.172 -7.819 -7.775 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.108 -6.234 -6.029 1.00 0.00 C ATOM 0 H LEU A 53 -1.190 -7.702 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.875 -8.392 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.007 -7.921 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.406 -9.163 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.057 -6.589 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.303 -7.035 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.300 -8.421 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.058 -8.453 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.221 -5.481 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.036 -6.798 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.881 -5.744 -5.082 1.00 0.00 H new ATOM 810 N ILE A 54 -3.300 -10.663 -4.386 1.00 0.00 N ATOM 811 CA ILE A 54 -3.533 -12.068 -4.098 1.00 0.00 C ATOM 812 C ILE A 54 -4.118 -12.748 -5.338 1.00 0.00 C ATOM 813 O ILE A 54 -5.271 -12.512 -5.694 1.00 0.00 O ATOM 814 CB ILE A 54 -4.399 -12.222 -2.846 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.636 -11.784 -1.595 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.933 -13.651 -2.722 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.230 -10.500 -1.012 1.00 0.00 C ATOM 0 H ILE A 54 -4.106 -10.166 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.593 -12.571 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.262 -11.563 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.670 -12.577 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.587 -11.624 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.545 -13.734 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.537 -13.891 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.097 -14.347 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.669 -10.210 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.172 -9.703 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.273 -10.671 -0.743 1.00 0.00 H new ATOM 829 N LYS A 55 -3.295 -13.580 -5.961 1.00 0.00 N ATOM 830 CA LYS A 55 -3.716 -14.296 -7.153 1.00 0.00 C ATOM 831 C LYS A 55 -4.165 -13.290 -8.215 1.00 0.00 C ATOM 832 O LYS A 55 -4.952 -13.625 -9.099 1.00 0.00 O ATOM 833 CB LYS A 55 -4.781 -15.338 -6.804 1.00 0.00 C ATOM 834 CG LYS A 55 -4.342 -16.193 -5.614 1.00 0.00 C ATOM 835 CD LYS A 55 -3.571 -17.429 -6.082 1.00 0.00 C ATOM 836 CE LYS A 55 -2.162 -17.054 -6.544 1.00 0.00 C ATOM 837 NZ LYS A 55 -1.199 -18.121 -6.188 1.00 0.00 N ATOM 0 H LYS A 55 -2.339 -13.774 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.882 -14.856 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.721 -14.838 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.966 -15.977 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.716 -15.600 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.216 -16.501 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.510 -18.153 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.109 -17.910 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.156 -16.896 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.860 -16.114 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.247 -17.851 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.192 -18.253 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.480 -19.010 -6.649 1.00 0.00 H new ATOM 851 N GLY A 56 -3.646 -12.077 -8.092 1.00 0.00 N ATOM 852 CA GLY A 56 -3.983 -11.020 -9.031 1.00 0.00 C ATOM 853 C GLY A 56 -5.342 -10.403 -8.696 1.00 0.00 C ATOM 854 O GLY A 56 -6.177 -10.214 -9.580 1.00 0.00 O ATOM 0 H GLY A 56 -2.995 -11.803 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.213 -10.248 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.001 -11.421 -10.044 1.00 0.00 H new ATOM 858 N ARG A 57 -5.523 -10.106 -7.418 1.00 0.00 N ATOM 859 CA ARG A 57 -6.767 -9.514 -6.955 1.00 0.00 C ATOM 860 C ARG A 57 -6.492 -8.504 -5.840 1.00 0.00 C ATOM 861 O ARG A 57 -5.854 -8.835 -4.841 1.00 0.00 O ATOM 862 CB ARG A 57 -7.728 -10.586 -6.437 1.00 0.00 C ATOM 863 CG ARG A 57 -8.682 -11.047 -7.541 1.00 0.00 C ATOM 864 CD ARG A 57 -9.801 -10.026 -7.759 1.00 0.00 C ATOM 865 NE ARG A 57 -10.882 -10.625 -8.573 1.00 0.00 N ATOM 866 CZ ARG A 57 -12.086 -10.065 -8.752 1.00 0.00 C ATOM 867 NH1 ARG A 57 -12.370 -8.889 -8.176 1.00 0.00 N ATOM 868 NH2 ARG A 57 -13.005 -10.682 -9.507 1.00 0.00 N ATOM 0 H ARG A 57 -4.829 -10.264 -6.688 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.228 -9.007 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.160 -11.438 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.301 -10.191 -5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.128 -11.189 -8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.112 -12.013 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.197 -9.698 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.405 -9.142 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.699 -11.520 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.670 -8.420 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.287 -8.463 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.788 -11.577 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.922 -10.256 -9.644 1.00 0.00 H new ATOM 882 N LYS A 58 -6.986 -7.292 -6.047 1.00 0.00 N ATOM 883 CA LYS A 58 -6.801 -6.232 -5.071 1.00 0.00 C ATOM 884 C LYS A 58 -7.634 -6.540 -3.825 1.00 0.00 C ATOM 885 O LYS A 58 -8.830 -6.254 -3.787 1.00 0.00 O ATOM 886 CB LYS A 58 -7.110 -4.870 -5.696 1.00 0.00 C ATOM 887 CG LYS A 58 -5.856 -4.258 -6.325 1.00 0.00 C ATOM 888 CD LYS A 58 -5.769 -4.597 -7.814 1.00 0.00 C ATOM 889 CE LYS A 58 -5.976 -3.348 -8.674 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.978 -3.702 -10.111 1.00 0.00 N ATOM 0 H LYS A 58 -7.514 -7.021 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.759 -6.183 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.884 -4.981 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.504 -4.197 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.871 -3.176 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.969 -4.629 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.796 -5.037 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.522 -5.345 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.919 -2.870 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.185 -2.626 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.120 -2.843 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.068 -4.138 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.748 -4.374 -10.302 1.00 0.00 H new ATOM 904 N THR A 59 -6.969 -7.120 -2.837 1.00 0.00 N ATOM 905 CA THR A 59 -7.633 -7.470 -1.593 1.00 0.00 C ATOM 906 C THR A 59 -7.385 -6.394 -0.534 1.00 0.00 C ATOM 907 O THR A 59 -6.293 -6.309 0.026 1.00 0.00 O ATOM 908 CB THR A 59 -7.148 -8.859 -1.172 1.00 0.00 C ATOM 909 OG1 THR A 59 -8.091 -9.749 -1.763 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.298 -9.101 0.331 1.00 0.00 C ATOM 0 H THR A 59 -5.977 -7.356 -2.873 1.00 0.00 H new ATOM 0 HA THR A 59 -8.715 -7.512 -1.721 1.00 0.00 H new ATOM 0 HB THR A 59 -6.103 -8.980 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.851 -10.673 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.939 -10.101 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.714 -8.362 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.348 -9.013 0.611 1.00 0.00 H new ATOM 918 N VAL A 60 -8.416 -5.598 -0.292 1.00 0.00 N ATOM 919 CA VAL A 60 -8.324 -4.531 0.690 1.00 0.00 C ATOM 920 C VAL A 60 -7.547 -5.031 1.909 1.00 0.00 C ATOM 921 O VAL A 60 -7.554 -6.224 2.207 1.00 0.00 O ATOM 922 CB VAL A 60 -9.722 -4.019 1.040 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.674 -3.069 2.238 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.379 -3.347 -0.167 1.00 0.00 C ATOM 0 H VAL A 60 -9.320 -5.671 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.776 -3.682 0.281 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.333 -4.878 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.681 -2.720 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.268 -3.594 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.039 -2.216 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.372 -2.992 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.769 -2.503 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.465 -4.066 -0.982 1.00 0.00 H new ATOM 934 N THR A 61 -6.896 -4.093 2.582 1.00 0.00 N ATOM 935 CA THR A 61 -6.116 -4.424 3.762 1.00 0.00 C ATOM 936 C THR A 61 -6.467 -3.481 4.915 1.00 0.00 C ATOM 937 O THR A 61 -7.023 -2.407 4.695 1.00 0.00 O ATOM 938 CB THR A 61 -4.636 -4.387 3.377 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.022 -5.316 4.266 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.974 -3.050 3.719 1.00 0.00 C ATOM 0 H THR A 61 -6.893 -3.104 2.332 1.00 0.00 H new ATOM 0 HA THR A 61 -6.348 -5.427 4.121 1.00 0.00 H new ATOM 0 HB THR A 61 -4.535 -4.579 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.060 -5.134 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.925 -3.078 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.480 -2.246 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.046 -2.873 4.792 1.00 0.00 H new ATOM 948 N ALA A 62 -6.128 -3.919 6.119 1.00 0.00 N ATOM 949 CA ALA A 62 -6.400 -3.127 7.307 1.00 0.00 C ATOM 950 C ALA A 62 -5.179 -2.265 7.631 1.00 0.00 C ATOM 951 O ALA A 62 -4.078 -2.537 7.154 1.00 0.00 O ATOM 952 CB ALA A 62 -6.783 -4.055 8.462 1.00 0.00 C ATOM 0 H ALA A 62 -5.668 -4.812 6.297 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.241 -2.455 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.987 -3.462 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.673 -4.623 8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.962 -4.742 8.664 1.00 0.00 H new ATOM 958 N TRP A 63 -5.415 -1.242 8.440 1.00 0.00 N ATOM 959 CA TRP A 63 -4.347 -0.338 8.833 1.00 0.00 C ATOM 960 C TRP A 63 -3.689 -0.904 10.093 1.00 0.00 C ATOM 961 O TRP A 63 -2.465 -0.888 10.219 1.00 0.00 O ATOM 962 CB TRP A 63 -4.876 1.085 9.023 1.00 0.00 C ATOM 963 CG TRP A 63 -5.379 1.739 7.734 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.639 2.053 7.405 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.575 2.150 6.608 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.707 2.633 6.155 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.411 2.694 5.655 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.187 2.064 6.402 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.954 3.195 4.430 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.746 2.569 5.173 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.575 3.120 4.203 1.00 0.00 C ATOM 0 H TRP A 63 -6.329 -1.019 8.834 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.594 -0.266 8.049 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.688 1.066 9.750 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.084 1.703 9.447 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.495 1.874 8.039 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.552 2.957 5.685 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.514 1.642 7.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.629 3.616 3.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.687 2.528 4.964 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.157 3.489 3.278 1.00 0.00 H new ATOM 982 N ASP A 64 -4.530 -1.391 10.994 1.00 0.00 N ATOM 983 CA ASP A 64 -4.045 -1.961 12.239 1.00 0.00 C ATOM 984 C ASP A 64 -3.188 -3.190 11.933 1.00 0.00 C ATOM 985 O ASP A 64 -2.235 -3.482 12.653 1.00 0.00 O ATOM 986 CB ASP A 64 -5.206 -2.404 13.131 1.00 0.00 C ATOM 987 CG ASP A 64 -6.020 -1.264 13.747 1.00 0.00 C ATOM 988 OD1 ASP A 64 -5.470 -0.598 14.650 1.00 0.00 O ATOM 989 OD2 ASP A 64 -7.174 -1.085 13.302 1.00 0.00 O ATOM 0 H ASP A 64 -5.544 -1.402 10.886 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.464 -1.197 12.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.876 -3.033 12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.810 -3.024 13.936 1.00 0.00 H new ATOM 994 N THR A 65 -3.558 -3.878 10.863 1.00 0.00 N ATOM 995 CA THR A 65 -2.835 -5.070 10.452 1.00 0.00 C ATOM 996 C THR A 65 -1.326 -4.824 10.507 1.00 0.00 C ATOM 997 O THR A 65 -0.883 -3.680 10.599 1.00 0.00 O ATOM 998 CB THR A 65 -3.335 -5.471 9.063 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.719 -5.751 9.259 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.749 -6.803 8.592 1.00 0.00 C ATOM 0 H THR A 65 -4.349 -3.633 10.268 1.00 0.00 H new ATOM 0 HA THR A 65 -3.022 -5.900 11.133 1.00 0.00 H new ATOM 0 HB THR A 65 -3.082 -4.689 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.021 -6.396 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.136 -7.041 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.662 -6.727 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.030 -7.591 9.290 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.578 -5.916 10.449 1.00 0.00 N ATOM 1009 CA ALA A 66 0.872 -5.833 10.491 1.00 0.00 C ATOM 1010 C ALA A 66 1.423 -5.893 9.065 1.00 0.00 C ATOM 1011 O ALA A 66 0.727 -6.317 8.143 1.00 0.00 O ATOM 1012 CB ALA A 66 1.422 -6.953 11.376 1.00 0.00 C ATOM 0 H ALA A 66 -0.949 -6.863 10.373 1.00 0.00 H new ATOM 0 HA ALA A 66 1.190 -4.886 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.510 -6.891 11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.023 -6.849 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.126 -7.919 10.967 1.00 0.00 H new ATOM 1018 N ILE A 67 2.669 -5.463 8.928 1.00 0.00 N ATOM 1019 CA ILE A 67 3.322 -5.462 7.630 1.00 0.00 C ATOM 1020 C ILE A 67 4.321 -6.619 7.566 1.00 0.00 C ATOM 1021 O ILE A 67 4.968 -6.829 6.541 1.00 0.00 O ATOM 1022 CB ILE A 67 3.945 -4.095 7.344 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.405 -3.995 5.888 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.080 -3.794 8.325 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.458 -3.111 5.074 1.00 0.00 C ATOM 0 H ILE A 67 3.243 -5.113 9.695 1.00 0.00 H new ATOM 0 HA ILE A 67 2.593 -5.626 6.837 1.00 0.00 H new ATOM 0 HB ILE A 67 3.180 -3.333 7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.414 -3.585 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.448 -4.991 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.506 -2.816 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.691 -3.794 9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.853 -4.557 8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.807 -3.056 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.455 -3.537 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.436 -2.109 5.503 1.00 0.00 H new ATOM 1037 N ALA A 68 4.415 -7.340 8.673 1.00 0.00 N ATOM 1038 CA ALA A 68 5.324 -8.470 8.756 1.00 0.00 C ATOM 1039 C ALA A 68 4.939 -9.507 7.699 1.00 0.00 C ATOM 1040 O ALA A 68 5.768 -9.901 6.880 1.00 0.00 O ATOM 1041 CB ALA A 68 5.297 -9.045 10.174 1.00 0.00 C ATOM 0 H ALA A 68 3.876 -7.163 9.521 1.00 0.00 H new ATOM 0 HA ALA A 68 6.347 -8.155 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.979 -9.893 10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.606 -8.278 10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.286 -9.374 10.414 1.00 0.00 H new ATOM 1047 N PRO A 69 3.648 -9.931 7.753 1.00 0.00 N ATOM 1048 CA PRO A 69 3.143 -10.914 6.811 1.00 0.00 C ATOM 1049 C PRO A 69 2.916 -10.288 5.433 1.00 0.00 C ATOM 1050 O PRO A 69 1.816 -10.361 4.888 1.00 0.00 O ATOM 1051 CB PRO A 69 1.865 -11.443 7.441 1.00 0.00 C ATOM 1052 CG PRO A 69 1.455 -10.412 8.480 1.00 0.00 C ATOM 1053 CD PRO A 69 2.638 -9.486 8.710 1.00 0.00 C ATOM 0 HA PRO A 69 3.848 -11.725 6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.085 -11.573 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.031 -12.417 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.589 -9.847 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.167 -10.901 9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.364 -8.444 8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.004 -9.558 9.734 1.00 0.00 H new ATOM 1061 N LEU A 70 3.974 -9.686 4.911 1.00 0.00 N ATOM 1062 CA LEU A 70 3.904 -9.047 3.608 1.00 0.00 C ATOM 1063 C LEU A 70 5.244 -9.215 2.889 1.00 0.00 C ATOM 1064 O LEU A 70 5.669 -8.333 2.145 1.00 0.00 O ATOM 1065 CB LEU A 70 3.461 -7.589 3.749 1.00 0.00 C ATOM 1066 CG LEU A 70 1.957 -7.358 3.911 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.166 -8.145 2.865 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.504 -7.680 5.336 1.00 0.00 C ATOM 0 H LEU A 70 4.885 -9.627 5.367 1.00 0.00 H new ATOM 0 HA LEU A 70 3.147 -9.528 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.970 -7.157 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.800 -7.040 2.870 1.00 0.00 H new ATOM 0 HG LEU A 70 1.753 -6.301 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.100 -7.963 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.463 -7.824 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.370 -9.210 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.431 -7.508 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.723 -8.724 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.034 -7.038 6.040 1.00 0.00 H new ATOM 1080 N ASP A 71 5.873 -10.355 3.137 1.00 0.00 N ATOM 1081 CA ASP A 71 7.156 -10.651 2.523 1.00 0.00 C ATOM 1082 C ASP A 71 6.941 -11.012 1.051 1.00 0.00 C ATOM 1083 O ASP A 71 6.267 -11.992 0.741 1.00 0.00 O ATOM 1084 CB ASP A 71 7.833 -11.840 3.207 1.00 0.00 C ATOM 1085 CG ASP A 71 8.913 -12.536 2.375 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.350 -11.917 1.382 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.276 -13.671 2.752 1.00 0.00 O ATOM 0 H ASP A 71 5.518 -11.085 3.755 1.00 0.00 H new ATOM 0 HA ASP A 71 7.789 -9.769 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.279 -11.497 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.069 -12.572 3.469 1.00 0.00 H new ATOM 1092 N GLY A 72 7.528 -10.200 0.184 1.00 0.00 N ATOM 1093 CA GLY A 72 7.410 -10.421 -1.247 1.00 0.00 C ATOM 1094 C GLY A 72 5.966 -10.225 -1.714 1.00 0.00 C ATOM 1095 O GLY A 72 5.216 -11.192 -1.846 1.00 0.00 O ATOM 0 H GLY A 72 8.087 -9.388 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.065 -9.732 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.741 -11.430 -1.491 1.00 0.00 H new ATOM 1099 N GLU A 73 5.619 -8.969 -1.952 1.00 0.00 N ATOM 1100 CA GLU A 73 4.279 -8.634 -2.402 1.00 0.00 C ATOM 1101 C GLU A 73 4.213 -7.167 -2.830 1.00 0.00 C ATOM 1102 O GLU A 73 5.242 -6.502 -2.939 1.00 0.00 O ATOM 1103 CB GLU A 73 3.245 -8.935 -1.315 1.00 0.00 C ATOM 1104 CG GLU A 73 3.497 -8.085 -0.068 1.00 0.00 C ATOM 1105 CD GLU A 73 2.659 -6.804 -0.099 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.544 -6.870 -0.660 1.00 0.00 O ATOM 1107 OE2 GLU A 73 3.153 -5.790 0.439 1.00 0.00 O ATOM 0 H GLU A 73 6.243 -8.170 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 73 4.041 -9.255 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.243 -8.739 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.285 -9.992 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.254 -8.661 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.555 -7.830 -0.005 1.00 0.00 H new ATOM 1114 N GLU A 74 2.993 -6.705 -3.062 1.00 0.00 N ATOM 1115 CA GLU A 74 2.780 -5.329 -3.476 1.00 0.00 C ATOM 1116 C GLU A 74 1.383 -4.861 -3.064 1.00 0.00 C ATOM 1117 O GLU A 74 0.400 -5.571 -3.273 1.00 0.00 O ATOM 1118 CB GLU A 74 2.990 -5.171 -4.983 1.00 0.00 C ATOM 1119 CG GLU A 74 4.370 -4.585 -5.286 1.00 0.00 C ATOM 1120 CD GLU A 74 4.764 -4.835 -6.744 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.221 -5.801 -7.320 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.599 -4.053 -7.248 1.00 0.00 O ATOM 0 H GLU A 74 2.142 -7.260 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 74 3.515 -4.701 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.887 -6.140 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.217 -4.522 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.366 -3.514 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.112 -5.031 -4.623 1.00 0.00 H new ATOM 1129 N LEU A 75 1.338 -3.669 -2.488 1.00 0.00 N ATOM 1130 CA LEU A 75 0.077 -3.098 -2.046 1.00 0.00 C ATOM 1131 C LEU A 75 -0.261 -1.885 -2.914 1.00 0.00 C ATOM 1132 O LEU A 75 0.634 -1.201 -3.407 1.00 0.00 O ATOM 1133 CB LEU A 75 0.126 -2.788 -0.548 1.00 0.00 C ATOM 1134 CG LEU A 75 0.480 -3.960 0.369 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.114 -3.466 1.671 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.743 -4.843 0.626 1.00 0.00 C ATOM 0 H LEU A 75 2.155 -3.083 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.732 -3.817 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.854 -1.993 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.846 -2.397 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 75 1.223 -4.577 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.356 -4.319 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.025 -2.912 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.413 -2.814 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.464 -5.669 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.526 -4.251 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.111 -5.239 -0.320 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.556 -1.656 -3.076 1.00 0.00 N ATOM 1149 CA ILE A 76 -2.024 -0.537 -3.877 1.00 0.00 C ATOM 1150 C ILE A 76 -2.786 0.442 -2.981 1.00 0.00 C ATOM 1151 O ILE A 76 -3.846 0.110 -2.453 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.837 -1.037 -5.072 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.941 -1.761 -6.080 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.620 0.106 -5.719 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.778 -2.497 -7.128 1.00 0.00 C ATOM 0 H ILE A 76 -2.296 -2.226 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.180 0.008 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.566 -1.762 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.286 -1.042 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.300 -2.471 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.189 -0.277 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.303 0.538 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.926 0.872 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.117 -3.003 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.414 -3.232 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.400 -1.781 -7.665 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.216 1.629 -2.838 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.828 2.659 -2.016 1.00 0.00 C ATOM 1169 C VAL A 77 -3.647 3.596 -2.906 1.00 0.00 C ATOM 1170 O VAL A 77 -3.097 4.270 -3.776 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.755 3.390 -1.207 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.380 4.451 -0.299 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.912 2.402 -0.397 1.00 0.00 C ATOM 0 H VAL A 77 -1.337 1.901 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.513 2.214 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.094 3.898 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.595 4.955 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.916 5.180 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.075 3.974 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.157 2.947 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.555 1.853 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.423 1.701 -1.073 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.948 3.609 -2.657 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.848 4.453 -3.425 1.00 0.00 C ATOM 1185 C GLU A 78 -6.652 5.360 -2.491 1.00 0.00 C ATOM 1186 O GLU A 78 -6.594 5.208 -1.272 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.776 3.609 -4.302 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.286 3.583 -5.752 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.346 4.147 -6.699 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.384 5.389 -6.834 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.095 3.323 -7.268 1.00 0.00 O ATOM 0 H GLU A 78 -5.401 3.049 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.250 5.082 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.825 2.592 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.787 4.014 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.368 4.165 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.044 2.560 -6.039 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.383 6.282 -3.099 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.198 7.214 -2.337 1.00 0.00 C ATOM 1200 C VAL A 79 -9.656 6.752 -2.367 1.00 0.00 C ATOM 1201 O VAL A 79 -10.202 6.479 -3.435 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.009 8.634 -2.874 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.918 9.623 -2.140 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.544 9.065 -2.783 1.00 0.00 C ATOM 0 H VAL A 79 -7.428 6.404 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.884 7.231 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.293 8.634 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.764 10.625 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.959 9.332 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.679 9.617 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.438 10.078 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.221 9.040 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.927 8.385 -3.371 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.245 6.679 -1.183 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.629 6.256 -1.060 1.00 0.00 C ATOM 1216 C LEU A 80 -12.529 7.243 -1.807 1.00 0.00 C ATOM 1217 O LEU A 80 -12.659 8.397 -1.403 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.005 6.073 0.412 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.440 4.829 1.099 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.508 4.965 2.622 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.143 3.563 0.605 1.00 0.00 C ATOM 0 H LEU A 80 -9.789 6.906 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.771 5.280 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.671 6.952 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.092 6.043 0.488 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.387 4.739 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.100 4.067 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.927 5.832 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.546 5.093 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.722 2.693 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.209 3.629 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.999 3.463 -0.471 1.00 0.00 H new