USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 609 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 Single : A 12 CYS SG : rot 80:sc= -0.925 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 0.00953 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 40:sc= -0.688 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 31:sc= 0.33 USER MOD Single : A 35 TYR OH : rot 121:sc= -1.36 USER MOD Single : A 36 MET CE :methyl -125:sc= -0.878 (180deg=-6.53!) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.37) USER MOD Single : A 60 ASN : amide:sc= -7.75! C(o=-7.8!,f=-15!) USER MOD Single : A 63 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-2.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -118:sc=-0.00458 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -174:sc= 0 (180deg=-0.0398) USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= -3.66! (180deg=-5.81!) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.181 -8.537 -12.282 1.00 0.00 N ATOM 84 CA PRO A 9 -0.442 -7.502 -11.278 1.00 0.00 C ATOM 85 C PRO A 9 -0.090 -6.106 -11.780 1.00 0.00 C ATOM 86 O PRO A 9 0.398 -5.943 -12.898 1.00 0.00 O ATOM 87 CB PRO A 9 0.471 -7.898 -10.115 1.00 0.00 C ATOM 88 CG PRO A 9 1.573 -8.676 -10.746 1.00 0.00 C ATOM 89 CD PRO A 9 0.956 -9.397 -11.912 1.00 0.00 C ATOM 0 HA PRO A 9 -1.497 -7.450 -11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.854 -7.020 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.064 -8.496 -9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.377 -8.017 -11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.009 -9.381 -10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.662 -9.507 -12.736 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.629 -10.400 -11.637 1.00 0.00 H new ATOM 97 N ARG A 10 -0.341 -5.101 -10.946 1.00 0.00 N ATOM 98 CA ARG A 10 -0.051 -3.719 -11.307 1.00 0.00 C ATOM 99 C ARG A 10 1.171 -3.205 -10.552 1.00 0.00 C ATOM 100 O ARG A 10 1.354 -3.501 -9.370 1.00 0.00 O ATOM 101 CB ARG A 10 -1.259 -2.828 -11.010 1.00 0.00 C ATOM 102 CG ARG A 10 -2.227 -2.706 -12.176 1.00 0.00 C ATOM 103 CD ARG A 10 -1.663 -1.824 -13.278 1.00 0.00 C ATOM 104 NE ARG A 10 -1.818 -0.404 -12.976 1.00 0.00 N ATOM 105 CZ ARG A 10 -1.828 0.548 -13.902 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.693 0.233 -15.183 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.973 1.819 -13.548 1.00 0.00 N ATOM 0 H ARG A 10 -0.744 -5.219 -10.017 1.00 0.00 H new ATOM 0 HA ARG A 10 0.163 -3.686 -12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.791 -3.228 -10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.908 -1.834 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.443 -3.697 -12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.172 -2.291 -11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.606 -2.051 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.166 -2.052 -14.218 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.924 -0.128 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.581 -0.742 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.701 0.966 -15.892 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.077 2.066 -12.564 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.980 2.549 -14.260 1.00 0.00 H new ATOM 121 N LEU A 11 2.005 -2.434 -11.241 1.00 0.00 N ATOM 122 CA LEU A 11 3.210 -1.879 -10.636 1.00 0.00 C ATOM 123 C LEU A 11 2.965 -0.457 -10.140 1.00 0.00 C ATOM 124 O LEU A 11 2.689 0.447 -10.928 1.00 0.00 O ATOM 125 CB LEU A 11 4.361 -1.888 -11.644 1.00 0.00 C ATOM 126 CG LEU A 11 5.762 -1.683 -11.065 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.995 -0.216 -10.739 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.958 -2.544 -9.827 1.00 0.00 C ATOM 0 H LEU A 11 1.869 -2.179 -12.219 1.00 0.00 H new ATOM 0 HA LEU A 11 3.478 -2.501 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.345 -2.840 -12.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.177 -1.108 -12.382 1.00 0.00 H new ATOM 0 HG LEU A 11 6.493 -1.988 -11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.997 -0.089 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.897 0.379 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.258 0.116 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.960 -2.385 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.220 -2.270 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.835 -3.594 -10.091 1.00 0.00 H new ATOM 140 N CYS A 12 3.070 -0.268 -8.829 1.00 0.00 N ATOM 141 CA CYS A 12 2.862 1.044 -8.227 1.00 0.00 C ATOM 142 C CYS A 12 4.194 1.701 -7.878 1.00 0.00 C ATOM 143 O CYS A 12 4.788 1.410 -6.840 1.00 0.00 O ATOM 144 CB CYS A 12 1.996 0.921 -6.972 1.00 0.00 C ATOM 145 SG CYS A 12 0.370 0.187 -7.266 1.00 0.00 S ATOM 0 H CYS A 12 3.298 -1.006 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 12 2.348 1.672 -8.955 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.527 0.318 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.862 1.912 -6.537 1.00 0.00 H new ATOM 0 HG CYS A 12 0.484 -1.106 -7.337 1.00 0.00 H new ATOM 151 N TYR A 13 4.658 2.586 -8.753 1.00 0.00 N ATOM 152 CA TYR A 13 5.922 3.280 -8.540 1.00 0.00 C ATOM 153 C TYR A 13 5.725 4.513 -7.664 1.00 0.00 C ATOM 154 O TYR A 13 5.220 5.540 -8.120 1.00 0.00 O ATOM 155 CB TYR A 13 6.537 3.687 -9.881 1.00 0.00 C ATOM 156 CG TYR A 13 8.048 3.626 -9.897 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.712 2.410 -10.001 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.810 4.784 -9.807 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.093 2.350 -10.016 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.191 4.733 -9.823 1.00 0.00 C ATOM 161 CZ TYR A 13 10.827 3.514 -9.927 1.00 0.00 C ATOM 162 OH TYR A 13 12.202 3.459 -9.941 1.00 0.00 O ATOM 0 H TYR A 13 4.178 2.840 -9.616 1.00 0.00 H new ATOM 0 HA TYR A 13 6.601 2.597 -8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.147 3.035 -10.663 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.220 4.701 -10.124 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.140 1.497 -10.071 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.315 5.740 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.594 1.397 -10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.769 5.643 -9.754 1.00 0.00 H new ATOM 0 HH TYR A 13 12.566 4.366 -9.871 1.00 0.00 H new ATOM 172 N LEU A 14 6.127 4.404 -6.402 1.00 0.00 N ATOM 173 CA LEU A 14 5.997 5.510 -5.459 1.00 0.00 C ATOM 174 C LEU A 14 7.276 6.339 -5.412 1.00 0.00 C ATOM 175 O LEU A 14 8.380 5.804 -5.518 1.00 0.00 O ATOM 176 CB LEU A 14 5.668 4.979 -4.063 1.00 0.00 C ATOM 177 CG LEU A 14 4.189 4.710 -3.779 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.438 6.016 -3.578 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.567 3.903 -4.909 1.00 0.00 C ATOM 0 H LEU A 14 6.546 3.561 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 14 5.183 6.151 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.221 4.053 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.034 5.696 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 14 4.115 4.128 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.388 5.805 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.867 6.556 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.520 6.625 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.515 3.721 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.652 4.459 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.088 2.950 -5.005 1.00 0.00 H new ATOM 191 N VAL A 15 7.120 7.649 -5.250 1.00 0.00 N ATOM 192 CA VAL A 15 8.263 8.552 -5.184 1.00 0.00 C ATOM 193 C VAL A 15 8.028 9.663 -4.167 1.00 0.00 C ATOM 194 O VAL A 15 7.097 10.457 -4.301 1.00 0.00 O ATOM 195 CB VAL A 15 8.559 9.184 -6.558 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.719 10.162 -6.457 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.849 8.104 -7.589 1.00 0.00 C ATOM 0 H VAL A 15 6.214 8.109 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 15 9.120 7.955 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 15 7.677 9.736 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.913 10.598 -7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.467 10.953 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.609 9.636 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.056 8.568 -8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.715 7.522 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.984 7.447 -7.681 1.00 0.00 H new ATOM 207 N LYS A 16 8.879 9.714 -3.148 1.00 0.00 N ATOM 208 CA LYS A 16 8.767 10.728 -2.106 1.00 0.00 C ATOM 209 C LYS A 16 8.615 12.119 -2.715 1.00 0.00 C ATOM 210 O LYS A 16 9.498 12.592 -3.430 1.00 0.00 O ATOM 211 CB LYS A 16 9.996 10.691 -1.194 1.00 0.00 C ATOM 212 CG LYS A 16 9.843 9.757 -0.006 1.00 0.00 C ATOM 213 CD LYS A 16 10.854 10.071 1.084 1.00 0.00 C ATOM 214 CE LYS A 16 10.839 9.016 2.179 1.00 0.00 C ATOM 215 NZ LYS A 16 9.588 9.071 2.986 1.00 0.00 N ATOM 0 H LYS A 16 9.655 9.064 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 16 7.877 10.509 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.863 10.383 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.199 11.698 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.834 9.842 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.969 8.725 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.852 10.132 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.634 11.048 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.939 8.027 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.699 9.159 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.783 8.737 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.241 10.051 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.866 8.464 2.549 1.00 0.00 H new ATOM 229 N GLU A 17 7.491 12.767 -2.426 1.00 0.00 N ATOM 230 CA GLU A 17 7.226 14.104 -2.945 1.00 0.00 C ATOM 231 C GLU A 17 7.060 15.106 -1.807 1.00 0.00 C ATOM 232 O GLU A 17 7.839 16.050 -1.678 1.00 0.00 O ATOM 233 CB GLU A 17 5.970 14.095 -3.820 1.00 0.00 C ATOM 234 CG GLU A 17 6.095 13.220 -5.055 1.00 0.00 C ATOM 235 CD GLU A 17 5.230 13.704 -6.203 1.00 0.00 C ATOM 236 OE1 GLU A 17 4.022 13.929 -5.982 1.00 0.00 O ATOM 237 OE2 GLU A 17 5.763 13.858 -7.322 1.00 0.00 O ATOM 0 H GLU A 17 6.750 12.389 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 17 8.080 14.407 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.125 13.750 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.746 15.116 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.137 13.196 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.816 12.197 -4.801 1.00 0.00 H new ATOM 244 N GLY A 18 6.037 14.895 -0.984 1.00 0.00 N ATOM 245 CA GLY A 18 5.786 15.788 0.132 1.00 0.00 C ATOM 246 C GLY A 18 5.546 15.042 1.429 1.00 0.00 C ATOM 247 O GLY A 18 4.843 14.032 1.451 1.00 0.00 O ATOM 0 H GLY A 18 5.378 14.122 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.636 16.459 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.919 16.409 -0.092 1.00 0.00 H new ATOM 251 N GLY A 19 6.132 15.539 2.514 1.00 0.00 N ATOM 252 CA GLY A 19 5.967 14.899 3.806 1.00 0.00 C ATOM 253 C GLY A 19 6.142 13.395 3.734 1.00 0.00 C ATOM 254 O GLY A 19 7.249 12.902 3.518 1.00 0.00 O ATOM 0 H GLY A 19 6.718 16.374 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.691 15.313 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.976 15.128 4.198 1.00 0.00 H new ATOM 258 N SER A 20 5.047 12.664 3.917 1.00 0.00 N ATOM 259 CA SER A 20 5.086 11.206 3.877 1.00 0.00 C ATOM 260 C SER A 20 4.219 10.671 2.741 1.00 0.00 C ATOM 261 O SER A 20 3.368 11.382 2.207 1.00 0.00 O ATOM 262 CB SER A 20 4.613 10.626 5.211 1.00 0.00 C ATOM 263 OG SER A 20 5.613 10.758 6.207 1.00 0.00 O ATOM 0 H SER A 20 4.122 13.057 4.094 1.00 0.00 H new ATOM 0 HA SER A 20 6.117 10.899 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.705 11.137 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.358 9.574 5.084 1.00 0.00 H new ATOM 0 HG SER A 20 5.286 10.382 7.051 1.00 0.00 H new ATOM 269 N TYR A 21 4.443 9.413 2.378 1.00 0.00 N ATOM 270 CA TYR A 21 3.685 8.781 1.304 1.00 0.00 C ATOM 271 C TYR A 21 2.186 8.853 1.580 1.00 0.00 C ATOM 272 O TYR A 21 1.762 9.094 2.710 1.00 0.00 O ATOM 273 CB TYR A 21 4.115 7.323 1.138 1.00 0.00 C ATOM 274 CG TYR A 21 5.486 7.162 0.521 1.00 0.00 C ATOM 275 CD1 TYR A 21 5.672 7.300 -0.849 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.594 6.872 1.307 1.00 0.00 C ATOM 277 CE1 TYR A 21 6.923 7.154 -1.418 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.848 6.726 0.747 1.00 0.00 C ATOM 279 CZ TYR A 21 8.008 6.867 -0.616 1.00 0.00 C ATOM 280 OH TYR A 21 9.255 6.721 -1.178 1.00 0.00 O ATOM 0 H TYR A 21 5.143 8.811 2.811 1.00 0.00 H new ATOM 0 HA TYR A 21 3.892 9.321 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.106 6.837 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.383 6.806 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.825 7.525 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.473 6.759 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.050 7.264 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.699 6.503 1.373 1.00 0.00 H new ATOM 0 HH TYR A 21 9.378 7.393 -1.881 1.00 0.00 H new ATOM 290 N GLY A 22 1.388 8.640 0.538 1.00 0.00 N ATOM 291 CA GLY A 22 -0.055 8.684 0.688 1.00 0.00 C ATOM 292 C GLY A 22 -0.649 7.322 0.984 1.00 0.00 C ATOM 293 O GLY A 22 -1.781 7.032 0.595 1.00 0.00 O ATOM 0 H GLY A 22 1.715 8.438 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.313 9.372 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.500 9.080 -0.225 1.00 0.00 H new ATOM 297 N PHE A 23 0.116 6.482 1.673 1.00 0.00 N ATOM 298 CA PHE A 23 -0.340 5.141 2.019 1.00 0.00 C ATOM 299 C PHE A 23 0.201 4.717 3.382 1.00 0.00 C ATOM 300 O PHE A 23 1.279 5.145 3.794 1.00 0.00 O ATOM 301 CB PHE A 23 0.098 4.138 0.950 1.00 0.00 C ATOM 302 CG PHE A 23 1.586 3.940 0.887 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.237 3.175 1.841 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.333 4.520 -0.126 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.606 2.990 1.786 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.702 4.339 -0.186 1.00 0.00 C ATOM 307 CZ PHE A 23 4.339 3.574 0.771 1.00 0.00 C ATOM 0 H PHE A 23 1.055 6.706 2.003 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.429 5.157 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.380 3.178 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.257 4.478 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.668 2.718 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.840 5.120 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.101 2.390 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.273 4.796 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.409 3.432 0.726 1.00 0.00 H new ATOM 317 N SER A 24 -0.556 3.873 4.076 1.00 0.00 N ATOM 318 CA SER A 24 -0.155 3.394 5.394 1.00 0.00 C ATOM 319 C SER A 24 -0.260 1.874 5.474 1.00 0.00 C ATOM 320 O SER A 24 -1.167 1.271 4.899 1.00 0.00 O ATOM 321 CB SER A 24 -1.024 4.034 6.478 1.00 0.00 C ATOM 322 OG SER A 24 -0.609 5.362 6.746 1.00 0.00 O ATOM 0 H SER A 24 -1.450 3.507 3.748 1.00 0.00 H new ATOM 0 HA SER A 24 0.885 3.678 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.067 4.033 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.968 3.441 7.391 1.00 0.00 H new ATOM 0 HG SER A 24 -1.181 5.750 7.441 1.00 0.00 H new ATOM 328 N LEU A 25 0.676 1.260 6.191 1.00 0.00 N ATOM 329 CA LEU A 25 0.691 -0.190 6.347 1.00 0.00 C ATOM 330 C LEU A 25 0.244 -0.591 7.750 1.00 0.00 C ATOM 331 O LEU A 25 0.323 0.202 8.689 1.00 0.00 O ATOM 332 CB LEU A 25 2.091 -0.739 6.069 1.00 0.00 C ATOM 333 CG LEU A 25 2.736 -0.297 4.755 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.197 -0.715 4.710 1.00 0.00 C ATOM 335 CD2 LEU A 25 1.978 -0.874 3.569 1.00 0.00 C ATOM 0 H LEU A 25 1.434 1.744 6.673 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.008 -0.615 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.745 -0.443 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.041 -1.828 6.078 1.00 0.00 H new ATOM 0 HG LEU A 25 2.689 0.790 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.639 -0.392 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.733 -0.254 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.268 -1.800 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.451 -0.549 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.993 -1.963 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.946 -0.524 3.592 1.00 0.00 H new ATOM 347 N LYS A 26 -0.222 -1.828 7.886 1.00 0.00 N ATOM 348 CA LYS A 26 -0.678 -2.336 9.174 1.00 0.00 C ATOM 349 C LYS A 26 -0.757 -3.860 9.160 1.00 0.00 C ATOM 350 O LYS A 26 -0.981 -4.471 8.115 1.00 0.00 O ATOM 351 CB LYS A 26 -2.046 -1.747 9.524 1.00 0.00 C ATOM 352 CG LYS A 26 -3.203 -2.439 8.823 1.00 0.00 C ATOM 353 CD LYS A 26 -4.543 -1.986 9.379 1.00 0.00 C ATOM 354 CE LYS A 26 -5.677 -2.877 8.897 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.969 -2.536 9.553 1.00 0.00 N ATOM 0 H LYS A 26 -0.294 -2.497 7.120 1.00 0.00 H new ATOM 0 HA LYS A 26 0.045 -2.033 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.195 -1.811 10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.054 -0.689 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.161 -2.228 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.106 -3.519 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.508 -1.997 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.734 -0.956 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.782 -2.779 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.431 -3.919 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.716 -3.166 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.878 -2.654 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.217 -1.549 9.339 1.00 0.00 H new ATOM 369 N THR A 27 -0.573 -4.468 10.328 1.00 0.00 N ATOM 370 CA THR A 27 -0.624 -5.920 10.450 1.00 0.00 C ATOM 371 C THR A 27 -1.943 -6.374 11.065 1.00 0.00 C ATOM 372 O THR A 27 -2.330 -5.913 12.138 1.00 0.00 O ATOM 373 CB THR A 27 0.539 -6.453 11.307 1.00 0.00 C ATOM 374 OG1 THR A 27 0.365 -6.055 12.672 1.00 0.00 O ATOM 375 CG2 THR A 27 1.873 -5.936 10.790 1.00 0.00 C ATOM 0 H THR A 27 -0.387 -3.977 11.203 1.00 0.00 H new ATOM 0 HA THR A 27 -0.538 -6.325 9.442 1.00 0.00 H new ATOM 0 HB THR A 27 0.539 -7.541 11.243 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.592 -5.994 12.876 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.680 -6.326 11.411 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.016 -6.265 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.880 -4.847 10.827 1.00 0.00 H new ATOM 383 N VAL A 28 -2.630 -7.281 10.377 1.00 0.00 N ATOM 384 CA VAL A 28 -3.905 -7.799 10.857 1.00 0.00 C ATOM 385 C VAL A 28 -3.699 -8.840 11.952 1.00 0.00 C ATOM 386 O VAL A 28 -2.697 -9.554 11.962 1.00 0.00 O ATOM 387 CB VAL A 28 -4.721 -8.430 9.713 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.835 -9.304 10.270 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.285 -7.349 8.803 1.00 0.00 C ATOM 0 H VAL A 28 -2.325 -7.672 9.486 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.457 -6.952 11.264 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.058 -9.062 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.401 -9.741 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.404 -10.100 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.500 -8.698 10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.859 -7.812 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.934 -6.690 9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.467 -6.769 8.376 1.00 0.00 H new ATOM 467 N GLY A 33 1.666 -11.106 6.591 1.00 0.00 N ATOM 468 CA GLY A 33 2.061 -10.243 5.493 1.00 0.00 C ATOM 469 C GLY A 33 1.510 -8.838 5.631 1.00 0.00 C ATOM 470 O GLY A 33 0.460 -8.633 6.241 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.149 -10.200 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.715 -10.675 4.554 1.00 0.00 H new ATOM 474 N VAL A 34 2.219 -7.867 5.066 1.00 0.00 N ATOM 475 CA VAL A 34 1.795 -6.473 5.129 1.00 0.00 C ATOM 476 C VAL A 34 1.076 -6.059 3.851 1.00 0.00 C ATOM 477 O VAL A 34 1.409 -6.524 2.760 1.00 0.00 O ATOM 478 CB VAL A 34 2.992 -5.532 5.360 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.555 -4.079 5.264 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.640 -5.815 6.707 1.00 0.00 C ATOM 0 H VAL A 34 3.091 -8.020 4.559 1.00 0.00 H new ATOM 0 HA VAL A 34 1.109 -6.389 5.972 1.00 0.00 H new ATOM 0 HB VAL A 34 3.732 -5.716 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.414 -3.429 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.141 -3.888 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.796 -3.877 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.484 -5.141 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.910 -5.661 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.991 -6.847 6.732 1.00 0.00 H new ATOM 490 N TYR A 35 0.088 -5.182 3.992 1.00 0.00 N ATOM 491 CA TYR A 35 -0.681 -4.706 2.848 1.00 0.00 C ATOM 492 C TYR A 35 -1.257 -3.319 3.119 1.00 0.00 C ATOM 493 O TYR A 35 -1.641 -3.003 4.244 1.00 0.00 O ATOM 494 CB TYR A 35 -1.810 -5.685 2.522 1.00 0.00 C ATOM 495 CG TYR A 35 -2.883 -5.746 3.585 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.701 -4.652 3.839 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.081 -6.900 4.334 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.682 -4.704 4.810 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.062 -6.961 5.306 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.859 -5.860 5.540 1.00 0.00 C ATOM 501 OH TYR A 35 -5.837 -5.916 6.507 1.00 0.00 O ATOM 0 H TYR A 35 -0.199 -4.786 4.887 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.009 -4.640 1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.265 -5.399 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.388 -6.681 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.568 -3.745 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.458 -7.764 4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.307 -3.843 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.204 -7.866 5.879 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.465 -6.638 6.296 1.00 0.00 H new ATOM 511 N MET A 36 -1.315 -2.496 2.077 1.00 0.00 N ATOM 512 CA MET A 36 -1.846 -1.144 2.200 1.00 0.00 C ATOM 513 C MET A 36 -3.290 -1.170 2.692 1.00 0.00 C ATOM 514 O MET A 36 -4.118 -1.925 2.181 1.00 0.00 O ATOM 515 CB MET A 36 -1.766 -0.417 0.857 1.00 0.00 C ATOM 516 CG MET A 36 -0.375 -0.427 0.243 1.00 0.00 C ATOM 517 SD MET A 36 0.726 0.786 0.997 1.00 0.00 S ATOM 518 CE MET A 36 2.160 0.648 -0.067 1.00 0.00 C ATOM 0 H MET A 36 -1.001 -2.742 1.138 1.00 0.00 H new ATOM 0 HA MET A 36 -1.241 -0.608 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.465 -0.880 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.087 0.616 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.058 -1.421 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.452 -0.227 -0.826 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.042 0.434 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.006 -0.160 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.306 1.585 -0.604 1.00 0.00 H new ATOM 528 N THR A 37 -3.587 -0.340 3.687 1.00 0.00 N ATOM 529 CA THR A 37 -4.930 -0.269 4.248 1.00 0.00 C ATOM 530 C THR A 37 -5.548 1.106 4.024 1.00 0.00 C ATOM 531 O THR A 37 -6.727 1.220 3.688 1.00 0.00 O ATOM 532 CB THR A 37 -4.925 -0.576 5.758 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.269 -0.687 6.240 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.192 0.511 6.529 1.00 0.00 C ATOM 0 H THR A 37 -2.915 0.293 4.121 1.00 0.00 H new ATOM 0 HA THR A 37 -5.527 -1.021 3.733 1.00 0.00 H new ATOM 0 HB THR A 37 -4.405 -1.522 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.263 -0.724 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.202 0.272 7.593 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.161 0.572 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.687 1.469 6.368 1.00 0.00 H new ATOM 542 N ASP A 38 -4.745 2.148 4.209 1.00 0.00 N ATOM 543 CA ASP A 38 -5.213 3.517 4.025 1.00 0.00 C ATOM 544 C ASP A 38 -4.544 4.161 2.815 1.00 0.00 C ATOM 545 O ASP A 38 -3.332 4.378 2.806 1.00 0.00 O ATOM 546 CB ASP A 38 -4.935 4.347 5.279 1.00 0.00 C ATOM 547 CG ASP A 38 -5.549 5.731 5.205 1.00 0.00 C ATOM 548 OD1 ASP A 38 -6.736 5.873 5.566 1.00 0.00 O ATOM 549 OD2 ASP A 38 -4.843 6.672 4.786 1.00 0.00 O ATOM 0 H ASP A 38 -3.766 2.071 4.486 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.288 3.487 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.328 3.825 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.858 4.438 5.420 1.00 0.00 H new ATOM 554 N ILE A 39 -5.341 4.464 1.796 1.00 0.00 N ATOM 555 CA ILE A 39 -4.826 5.083 0.581 1.00 0.00 C ATOM 556 C ILE A 39 -5.300 6.527 0.456 1.00 0.00 C ATOM 557 O ILE A 39 -6.326 6.804 -0.166 1.00 0.00 O ATOM 558 CB ILE A 39 -5.257 4.303 -0.675 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.731 2.867 -0.615 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.759 5.003 -1.930 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.221 2.776 -0.622 1.00 0.00 C ATOM 0 H ILE A 39 -6.346 4.291 1.788 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.739 5.065 0.655 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.346 4.270 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.112 2.387 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.125 2.309 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.072 4.440 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.177 6.009 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.671 5.063 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.919 1.730 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.834 3.227 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.821 3.306 0.242 1.00 0.00 H new ATOM 573 N THR A 40 -4.546 7.446 1.052 1.00 0.00 N ATOM 574 CA THR A 40 -4.888 8.862 1.007 1.00 0.00 C ATOM 575 C THR A 40 -5.380 9.265 -0.378 1.00 0.00 C ATOM 576 O THR A 40 -4.744 8.985 -1.395 1.00 0.00 O ATOM 577 CB THR A 40 -3.684 9.743 1.389 1.00 0.00 C ATOM 578 OG1 THR A 40 -3.115 9.288 2.622 1.00 0.00 O ATOM 579 CG2 THR A 40 -4.101 11.200 1.524 1.00 0.00 C ATOM 0 H THR A 40 -3.694 7.234 1.572 1.00 0.00 H new ATOM 0 HA THR A 40 -5.687 9.018 1.732 1.00 0.00 H new ATOM 0 HB THR A 40 -2.940 9.666 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.349 9.852 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.234 11.803 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.506 11.552 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.862 11.290 2.299 1.00 0.00 H new ATOM 587 N PRO A 41 -6.538 9.940 -0.423 1.00 0.00 N ATOM 588 CA PRO A 41 -7.140 10.398 -1.678 1.00 0.00 C ATOM 589 C PRO A 41 -6.344 11.527 -2.325 1.00 0.00 C ATOM 590 O PRO A 41 -5.927 12.469 -1.651 1.00 0.00 O ATOM 591 CB PRO A 41 -8.522 10.896 -1.249 1.00 0.00 C ATOM 592 CG PRO A 41 -8.362 11.267 0.185 1.00 0.00 C ATOM 593 CD PRO A 41 -7.349 10.309 0.750 1.00 0.00 C ATOM 0 HA PRO A 41 -7.171 9.607 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.838 11.751 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.279 10.122 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.023 12.298 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.311 11.190 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.743 10.776 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.826 9.438 1.199 1.00 0.00 H new ATOM 601 N GLN A 42 -6.138 11.425 -3.634 1.00 0.00 N ATOM 602 CA GLN A 42 -5.391 12.439 -4.370 1.00 0.00 C ATOM 603 C GLN A 42 -4.004 12.637 -3.769 1.00 0.00 C ATOM 604 O GLN A 42 -3.509 13.759 -3.682 1.00 0.00 O ATOM 605 CB GLN A 42 -6.154 13.765 -4.370 1.00 0.00 C ATOM 606 CG GLN A 42 -7.326 13.792 -5.339 1.00 0.00 C ATOM 607 CD GLN A 42 -8.324 14.887 -5.015 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.947 16.031 -4.759 1.00 0.00 O ATOM 609 NE2 GLN A 42 -9.606 14.541 -5.026 1.00 0.00 N ATOM 0 H GLN A 42 -6.477 10.652 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.275 12.094 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.521 13.964 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.465 14.571 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.952 13.935 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.832 12.827 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.873 13.581 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.323 15.235 -4.817 1.00 0.00 H new ATOM 618 N GLY A 43 -3.381 11.537 -3.355 1.00 0.00 N ATOM 619 CA GLY A 43 -2.056 11.612 -2.767 1.00 0.00 C ATOM 620 C GLY A 43 -1.024 10.837 -3.562 1.00 0.00 C ATOM 621 O GLY A 43 -1.346 10.224 -4.580 1.00 0.00 O ATOM 0 H GLY A 43 -3.770 10.596 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.750 12.656 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.091 11.225 -1.749 1.00 0.00 H new ATOM 625 N VAL A 44 0.221 10.866 -3.099 1.00 0.00 N ATOM 626 CA VAL A 44 1.305 10.161 -3.774 1.00 0.00 C ATOM 627 C VAL A 44 0.912 8.722 -4.089 1.00 0.00 C ATOM 628 O VAL A 44 1.376 8.142 -5.070 1.00 0.00 O ATOM 629 CB VAL A 44 2.588 10.157 -2.922 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.661 9.300 -3.577 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.087 11.577 -2.705 1.00 0.00 C ATOM 0 H VAL A 44 0.505 11.370 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 44 1.498 10.694 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 44 2.356 9.725 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.560 9.309 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.299 8.277 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.893 9.700 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.994 11.556 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.303 12.038 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.321 12.157 -2.189 1.00 0.00 H new ATOM 641 N ALA A 45 0.053 8.152 -3.251 1.00 0.00 N ATOM 642 CA ALA A 45 -0.405 6.781 -3.441 1.00 0.00 C ATOM 643 C ALA A 45 -1.453 6.701 -4.546 1.00 0.00 C ATOM 644 O ALA A 45 -1.201 6.143 -5.613 1.00 0.00 O ATOM 645 CB ALA A 45 -0.964 6.226 -2.139 1.00 0.00 C ATOM 0 H ALA A 45 -0.340 8.618 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 45 0.450 6.177 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.302 5.202 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.187 6.239 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.804 6.840 -1.813 1.00 0.00 H new ATOM 651 N MET A 46 -2.629 7.261 -4.281 1.00 0.00 N ATOM 652 CA MET A 46 -3.715 7.253 -5.255 1.00 0.00 C ATOM 653 C MET A 46 -3.212 7.667 -6.634 1.00 0.00 C ATOM 654 O MET A 46 -3.801 7.307 -7.653 1.00 0.00 O ATOM 655 CB MET A 46 -4.838 8.189 -4.805 1.00 0.00 C ATOM 656 CG MET A 46 -6.176 7.893 -5.463 1.00 0.00 C ATOM 657 SD MET A 46 -6.702 6.185 -5.229 1.00 0.00 S ATOM 658 CE MET A 46 -7.952 6.386 -3.962 1.00 0.00 C ATOM 0 H MET A 46 -2.854 7.725 -3.401 1.00 0.00 H new ATOM 0 HA MET A 46 -4.104 6.237 -5.321 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.950 8.115 -3.723 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.553 9.218 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.933 8.562 -5.054 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.107 8.105 -6.530 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.373 5.413 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.502 6.829 -3.074 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.743 7.039 -4.332 1.00 0.00 H new ATOM 668 N ARG A 47 -2.121 8.425 -6.658 1.00 0.00 N ATOM 669 CA ARG A 47 -1.541 8.890 -7.912 1.00 0.00 C ATOM 670 C ARG A 47 -0.784 7.764 -8.611 1.00 0.00 C ATOM 671 O ARG A 47 -0.789 7.667 -9.837 1.00 0.00 O ATOM 672 CB ARG A 47 -0.601 10.069 -7.658 1.00 0.00 C ATOM 673 CG ARG A 47 -0.505 11.035 -8.828 1.00 0.00 C ATOM 674 CD ARG A 47 0.397 10.492 -9.926 1.00 0.00 C ATOM 675 NE ARG A 47 0.911 11.553 -10.787 1.00 0.00 N ATOM 676 CZ ARG A 47 1.846 12.418 -10.410 1.00 0.00 C ATOM 677 NH1 ARG A 47 2.368 12.347 -9.193 1.00 0.00 N ATOM 678 NH2 ARG A 47 2.262 13.356 -11.251 1.00 0.00 N ATOM 0 H ARG A 47 -1.621 8.730 -5.823 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.354 9.216 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.943 10.612 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.394 9.687 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.501 11.220 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.120 11.993 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.232 9.954 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.158 9.773 -10.529 1.00 0.00 H new ATOM 0 HE ARG A 47 0.531 11.635 -11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.052 11.627 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.086 13.013 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.864 13.414 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.980 14.020 -10.960 1.00 0.00 H new ATOM 692 N ALA A 48 -0.134 6.915 -7.821 1.00 0.00 N ATOM 693 CA ALA A 48 0.625 5.796 -8.363 1.00 0.00 C ATOM 694 C ALA A 48 -0.302 4.702 -8.881 1.00 0.00 C ATOM 695 O ALA A 48 0.105 3.851 -9.671 1.00 0.00 O ATOM 696 CB ALA A 48 1.567 5.236 -7.307 1.00 0.00 C ATOM 0 H ALA A 48 -0.118 6.982 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 48 1.215 6.163 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.128 4.400 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.260 6.014 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.989 4.891 -6.450 1.00 0.00 H new ATOM 702 N GLY A 49 -1.553 4.730 -8.429 1.00 0.00 N ATOM 703 CA GLY A 49 -2.519 3.735 -8.857 1.00 0.00 C ATOM 704 C GLY A 49 -2.578 2.544 -7.920 1.00 0.00 C ATOM 705 O GLY A 49 -2.674 1.400 -8.364 1.00 0.00 O ATOM 0 H GLY A 49 -1.914 5.424 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.506 4.194 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.263 3.392 -9.860 1.00 0.00 H new ATOM 709 N VAL A 50 -2.520 2.813 -6.619 1.00 0.00 N ATOM 710 CA VAL A 50 -2.567 1.755 -5.617 1.00 0.00 C ATOM 711 C VAL A 50 -3.855 1.825 -4.805 1.00 0.00 C ATOM 712 O VAL A 50 -4.184 2.864 -4.230 1.00 0.00 O ATOM 713 CB VAL A 50 -1.364 1.835 -4.659 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.324 3.188 -3.964 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.417 0.705 -3.642 1.00 0.00 C ATOM 0 H VAL A 50 -2.440 3.755 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.531 0.808 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.449 1.726 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.467 3.226 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.235 3.978 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.241 3.331 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.559 0.777 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.337 0.780 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.393 -0.253 -4.161 1.00 0.00 H new ATOM 725 N LEU A 51 -4.581 0.714 -4.760 1.00 0.00 N ATOM 726 CA LEU A 51 -5.835 0.648 -4.016 1.00 0.00 C ATOM 727 C LEU A 51 -5.597 0.162 -2.590 1.00 0.00 C ATOM 728 O LEU A 51 -4.579 -0.465 -2.299 1.00 0.00 O ATOM 729 CB LEU A 51 -6.823 -0.280 -4.725 1.00 0.00 C ATOM 730 CG LEU A 51 -7.481 0.278 -5.987 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.283 -0.803 -6.694 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.369 1.465 -5.645 1.00 0.00 C ATOM 0 H LEU A 51 -4.324 -0.154 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.256 1.652 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.301 -1.200 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.608 -0.549 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.696 0.619 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.744 -0.387 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.621 -1.623 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.060 -1.175 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.829 1.849 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.147 1.149 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.768 2.248 -5.184 1.00 0.00 H new ATOM 744 N ALA A 52 -6.544 0.455 -1.705 1.00 0.00 N ATOM 745 CA ALA A 52 -6.440 0.045 -0.310 1.00 0.00 C ATOM 746 C ALA A 52 -6.665 -1.456 -0.161 1.00 0.00 C ATOM 747 O ALA A 52 -7.178 -2.110 -1.070 1.00 0.00 O ATOM 748 CB ALA A 52 -7.435 0.817 0.543 1.00 0.00 C ATOM 0 H ALA A 52 -7.392 0.975 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.431 0.271 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.346 0.500 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.226 1.884 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.447 0.620 0.189 1.00 0.00 H new ATOM 754 N ASP A 53 -6.277 -1.996 0.989 1.00 0.00 N ATOM 755 CA ASP A 53 -6.437 -3.421 1.257 1.00 0.00 C ATOM 756 C ASP A 53 -5.757 -4.256 0.177 1.00 0.00 C ATOM 757 O ASP A 53 -6.136 -5.403 -0.065 1.00 0.00 O ATOM 758 CB ASP A 53 -7.921 -3.782 1.340 1.00 0.00 C ATOM 759 CG ASP A 53 -8.639 -3.030 2.443 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.645 -1.782 2.403 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.194 -3.689 3.348 1.00 0.00 O ATOM 0 H ASP A 53 -5.850 -1.469 1.751 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.963 -3.642 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.399 -3.564 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.022 -4.854 1.510 1.00 0.00 H new ATOM 766 N ASP A 54 -4.753 -3.675 -0.470 1.00 0.00 N ATOM 767 CA ASP A 54 -4.020 -4.366 -1.524 1.00 0.00 C ATOM 768 C ASP A 54 -2.844 -5.146 -0.946 1.00 0.00 C ATOM 769 O ASP A 54 -1.899 -4.562 -0.415 1.00 0.00 O ATOM 770 CB ASP A 54 -3.521 -3.365 -2.568 1.00 0.00 C ATOM 771 CG ASP A 54 -4.585 -3.016 -3.590 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.750 -2.818 -3.189 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.251 -2.942 -4.792 1.00 0.00 O ATOM 0 H ASP A 54 -4.428 -2.726 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.699 -5.071 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.191 -2.455 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.652 -3.780 -3.079 1.00 0.00 H new ATOM 778 N HIS A 55 -2.908 -6.470 -1.054 1.00 0.00 N ATOM 779 CA HIS A 55 -1.848 -7.331 -0.541 1.00 0.00 C ATOM 780 C HIS A 55 -0.499 -6.947 -1.142 1.00 0.00 C ATOM 781 O HIS A 55 -0.273 -7.110 -2.341 1.00 0.00 O ATOM 782 CB HIS A 55 -2.159 -8.796 -0.849 1.00 0.00 C ATOM 783 CG HIS A 55 -1.108 -9.746 -0.363 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.988 -11.038 -0.829 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.125 -9.585 0.553 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.023 -11.631 -0.220 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.564 -10.771 0.624 1.00 0.00 N ATOM 0 H HIS A 55 -3.682 -6.969 -1.492 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.796 -7.198 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.114 -9.060 -0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.275 -8.916 -1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.080 -8.690 1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.352 -12.647 -0.384 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.363 -10.957 1.230 1.00 0.00 H new ATOM 796 N LEU A 56 0.394 -6.436 -0.301 1.00 0.00 N ATOM 797 CA LEU A 56 1.721 -6.029 -0.748 1.00 0.00 C ATOM 798 C LEU A 56 2.544 -7.237 -1.183 1.00 0.00 C ATOM 799 O LEU A 56 3.017 -8.011 -0.349 1.00 0.00 O ATOM 800 CB LEU A 56 2.448 -5.277 0.368 1.00 0.00 C ATOM 801 CG LEU A 56 3.409 -4.175 -0.081 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.691 -2.837 -0.152 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.602 -4.093 0.860 1.00 0.00 C ATOM 0 H LEU A 56 0.223 -6.294 0.694 1.00 0.00 H new ATOM 0 HA LEU A 56 1.601 -5.367 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.701 -4.834 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.008 -6.000 0.961 1.00 0.00 H new ATOM 0 HG LEU A 56 3.774 -4.421 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.391 -2.065 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.870 -2.902 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.297 -2.583 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.276 -3.304 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.255 -3.871 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.131 -5.046 0.860 1.00 0.00 H new ATOM 815 N ILE A 57 2.713 -7.391 -2.492 1.00 0.00 N ATOM 816 CA ILE A 57 3.482 -8.503 -3.036 1.00 0.00 C ATOM 817 C ILE A 57 4.963 -8.364 -2.702 1.00 0.00 C ATOM 818 O ILE A 57 5.570 -9.272 -2.137 1.00 0.00 O ATOM 819 CB ILE A 57 3.319 -8.605 -4.565 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.839 -8.723 -4.935 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.102 -9.794 -5.102 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.204 -10.019 -4.482 1.00 0.00 C ATOM 0 H ILE A 57 2.328 -6.760 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 57 3.093 -9.411 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 57 3.716 -7.698 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.295 -7.888 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.735 -8.636 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.977 -9.853 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.159 -9.671 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.732 -10.711 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.155 -10.033 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.723 -10.859 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.276 -10.100 -3.397 1.00 0.00 H new ATOM 834 N GLU A 58 5.538 -7.218 -3.054 1.00 0.00 N ATOM 835 CA GLU A 58 6.948 -6.959 -2.791 1.00 0.00 C ATOM 836 C GLU A 58 7.220 -5.460 -2.707 1.00 0.00 C ATOM 837 O GLU A 58 6.342 -4.642 -2.984 1.00 0.00 O ATOM 838 CB GLU A 58 7.818 -7.586 -3.882 1.00 0.00 C ATOM 839 CG GLU A 58 7.598 -6.979 -5.258 1.00 0.00 C ATOM 840 CD GLU A 58 8.821 -7.094 -6.148 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.621 -8.030 -5.940 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.977 -6.247 -7.052 1.00 0.00 O ATOM 0 H GLU A 58 5.049 -6.455 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 58 7.200 -7.411 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.867 -7.474 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.613 -8.656 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.755 -7.475 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.330 -5.928 -5.149 1.00 0.00 H new ATOM 849 N VAL A 59 8.442 -5.106 -2.322 1.00 0.00 N ATOM 850 CA VAL A 59 8.831 -3.706 -2.202 1.00 0.00 C ATOM 851 C VAL A 59 10.233 -3.476 -2.755 1.00 0.00 C ATOM 852 O VAL A 59 11.225 -3.863 -2.140 1.00 0.00 O ATOM 853 CB VAL A 59 8.786 -3.235 -0.736 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.287 -1.803 -0.620 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.376 -3.362 -0.179 1.00 0.00 C ATOM 0 H VAL A 59 9.180 -5.770 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 59 8.114 -3.127 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 59 9.444 -3.874 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.248 -1.487 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.315 -1.747 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.657 -1.147 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.363 -3.025 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.695 -2.748 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.059 -4.404 -0.226 1.00 0.00 H new ATOM 865 N ASN A 60 10.306 -2.841 -3.921 1.00 0.00 N ATOM 866 CA ASN A 60 11.587 -2.558 -4.558 1.00 0.00 C ATOM 867 C ASN A 60 12.242 -3.843 -5.055 1.00 0.00 C ATOM 868 O ASN A 60 13.461 -3.995 -4.993 1.00 0.00 O ATOM 869 CB ASN A 60 12.520 -1.842 -3.580 1.00 0.00 C ATOM 870 CG ASN A 60 11.765 -0.974 -2.592 1.00 0.00 C ATOM 871 OD1 ASN A 60 10.810 -0.286 -2.955 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.191 -1.000 -1.335 1.00 0.00 N ATOM 0 H ASN A 60 9.494 -2.513 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 60 11.403 -1.909 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.108 -2.581 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.223 -1.225 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.723 -0.435 -0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.986 -1.585 -1.078 1.00 0.00 H new ATOM 879 N GLY A 61 11.423 -4.767 -5.550 1.00 0.00 N ATOM 880 CA GLY A 61 11.941 -6.026 -6.051 1.00 0.00 C ATOM 881 C GLY A 61 12.356 -6.966 -4.937 1.00 0.00 C ATOM 882 O GLY A 61 13.346 -7.686 -5.061 1.00 0.00 O ATOM 0 H GLY A 61 10.410 -4.665 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.182 -6.509 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.798 -5.832 -6.697 1.00 0.00 H new ATOM 886 N GLU A 62 11.598 -6.959 -3.845 1.00 0.00 N ATOM 887 CA GLU A 62 11.896 -7.817 -2.703 1.00 0.00 C ATOM 888 C GLU A 62 10.635 -8.518 -2.206 1.00 0.00 C ATOM 889 O GLU A 62 9.794 -7.910 -1.545 1.00 0.00 O ATOM 890 CB GLU A 62 12.517 -6.998 -1.570 1.00 0.00 C ATOM 891 CG GLU A 62 13.956 -6.587 -1.834 1.00 0.00 C ATOM 892 CD GLU A 62 14.662 -6.097 -0.585 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.135 -6.945 0.200 1.00 0.00 O ATOM 894 OE2 GLU A 62 14.741 -4.866 -0.392 1.00 0.00 O ATOM 0 H GLU A 62 10.774 -6.370 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 62 12.609 -8.575 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.916 -6.103 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.477 -7.579 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.502 -7.435 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.973 -5.800 -2.588 1.00 0.00 H new ATOM 901 N ASN A 63 10.512 -9.801 -2.531 1.00 0.00 N ATOM 902 CA ASN A 63 9.353 -10.585 -2.119 1.00 0.00 C ATOM 903 C ASN A 63 9.096 -10.432 -0.623 1.00 0.00 C ATOM 904 O ASN A 63 9.835 -10.969 0.203 1.00 0.00 O ATOM 905 CB ASN A 63 9.562 -12.061 -2.463 1.00 0.00 C ATOM 906 CG ASN A 63 8.598 -12.970 -1.725 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.010 -13.831 -0.948 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.306 -12.780 -1.965 1.00 0.00 N ATOM 0 H ASN A 63 11.200 -10.319 -3.078 1.00 0.00 H new ATOM 0 HA ASN A 63 8.483 -10.212 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.439 -12.202 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.585 -12.347 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.610 -13.360 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.010 -12.054 -2.617 1.00 0.00 H new ATOM 915 N VAL A 64 8.044 -9.696 -0.281 1.00 0.00 N ATOM 916 CA VAL A 64 7.687 -9.473 1.115 1.00 0.00 C ATOM 917 C VAL A 64 6.272 -9.959 1.405 1.00 0.00 C ATOM 918 O VAL A 64 5.697 -9.640 2.446 1.00 0.00 O ATOM 919 CB VAL A 64 7.794 -7.982 1.490 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.223 -7.491 1.324 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.835 -7.152 0.650 1.00 0.00 C ATOM 0 H VAL A 64 7.423 -9.243 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 64 8.394 -10.043 1.718 1.00 0.00 H new ATOM 0 HB VAL A 64 7.516 -7.868 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.279 -6.436 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.883 -8.067 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.533 -7.617 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.924 -6.102 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.080 -7.270 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.813 -7.489 0.825 1.00 0.00 H new ATOM 931 N GLU A 65 5.716 -10.733 0.478 1.00 0.00 N ATOM 932 CA GLU A 65 4.367 -11.263 0.636 1.00 0.00 C ATOM 933 C GLU A 65 4.106 -11.666 2.084 1.00 0.00 C ATOM 934 O GLU A 65 3.076 -11.317 2.661 1.00 0.00 O ATOM 935 CB GLU A 65 4.157 -12.466 -0.286 1.00 0.00 C ATOM 936 CG GLU A 65 3.694 -12.090 -1.683 1.00 0.00 C ATOM 937 CD GLU A 65 3.388 -13.301 -2.543 1.00 0.00 C ATOM 938 OE1 GLU A 65 4.339 -13.892 -3.095 1.00 0.00 O ATOM 939 OE2 GLU A 65 2.197 -13.657 -2.662 1.00 0.00 O ATOM 0 H GLU A 65 6.178 -11.007 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 65 3.662 -10.478 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.091 -13.024 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.422 -13.133 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.803 -11.466 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.464 -11.490 -2.168 1.00 0.00 H new ATOM 946 N ASP A 66 5.046 -12.404 2.665 1.00 0.00 N ATOM 947 CA ASP A 66 4.919 -12.855 4.046 1.00 0.00 C ATOM 948 C ASP A 66 5.952 -12.171 4.938 1.00 0.00 C ATOM 949 O ASP A 66 6.586 -12.814 5.774 1.00 0.00 O ATOM 950 CB ASP A 66 5.083 -14.373 4.126 1.00 0.00 C ATOM 951 CG ASP A 66 6.185 -14.885 3.218 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.242 -14.225 3.137 1.00 0.00 O ATOM 953 OD2 ASP A 66 5.990 -15.947 2.591 1.00 0.00 O ATOM 0 H ASP A 66 5.904 -12.702 2.201 1.00 0.00 H new ATOM 0 HA ASP A 66 3.924 -12.586 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.302 -14.658 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.142 -14.852 3.856 1.00 0.00 H new ATOM 958 N ALA A 67 6.115 -10.866 4.752 1.00 0.00 N ATOM 959 CA ALA A 67 7.069 -10.095 5.539 1.00 0.00 C ATOM 960 C ALA A 67 6.367 -9.326 6.653 1.00 0.00 C ATOM 961 O ALA A 67 5.150 -9.145 6.624 1.00 0.00 O ATOM 962 CB ALA A 67 7.845 -9.141 4.643 1.00 0.00 C ATOM 0 H ALA A 67 5.598 -10.320 4.063 1.00 0.00 H new ATOM 0 HA ALA A 67 7.769 -10.792 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.554 -8.572 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.386 -9.711 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.152 -8.456 4.154 1.00 0.00 H new ATOM 968 N SER A 68 7.142 -8.875 7.634 1.00 0.00 N ATOM 969 CA SER A 68 6.593 -8.128 8.760 1.00 0.00 C ATOM 970 C SER A 68 6.690 -6.626 8.515 1.00 0.00 C ATOM 971 O SER A 68 7.534 -6.164 7.746 1.00 0.00 O ATOM 972 CB SER A 68 7.330 -8.495 10.050 1.00 0.00 C ATOM 973 OG SER A 68 6.745 -7.854 11.171 1.00 0.00 O ATOM 0 H SER A 68 8.152 -9.014 7.672 1.00 0.00 H new ATOM 0 HA SER A 68 5.541 -8.394 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.306 -9.576 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.378 -8.207 9.968 1.00 0.00 H new ATOM 0 HG SER A 68 7.232 -8.106 11.983 1.00 0.00 H new ATOM 979 N HIS A 69 5.820 -5.867 9.174 1.00 0.00 N ATOM 980 CA HIS A 69 5.807 -4.416 9.028 1.00 0.00 C ATOM 981 C HIS A 69 7.206 -3.838 9.222 1.00 0.00 C ATOM 982 O HIS A 69 7.579 -2.862 8.572 1.00 0.00 O ATOM 983 CB HIS A 69 4.840 -3.790 10.034 1.00 0.00 C ATOM 984 CG HIS A 69 4.356 -2.431 9.633 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.206 -1.862 10.138 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.875 -1.525 8.772 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.037 -0.666 9.603 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.037 -0.437 8.771 1.00 0.00 N ATOM 0 H HIS A 69 5.115 -6.233 9.814 1.00 0.00 H new ATOM 0 HA HIS A 69 5.472 -4.180 8.018 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.982 -4.450 10.160 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.333 -3.720 11.004 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.780 -1.637 8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.220 0.009 9.811 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.166 0.410 8.218 1.00 0.00 H new ATOM 997 N GLU A 70 7.973 -4.447 10.121 1.00 0.00 N ATOM 998 CA GLU A 70 9.329 -3.991 10.401 1.00 0.00 C ATOM 999 C GLU A 70 10.271 -4.350 9.255 1.00 0.00 C ATOM 1000 O GLU A 70 11.259 -3.658 9.011 1.00 0.00 O ATOM 1001 CB GLU A 70 9.839 -4.606 11.706 1.00 0.00 C ATOM 1002 CG GLU A 70 9.101 -4.113 12.940 1.00 0.00 C ATOM 1003 CD GLU A 70 9.459 -4.899 14.186 1.00 0.00 C ATOM 1004 OE1 GLU A 70 8.791 -5.919 14.457 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.407 -4.495 14.890 1.00 0.00 O ATOM 0 H GLU A 70 7.679 -5.257 10.667 1.00 0.00 H new ATOM 0 HA GLU A 70 9.306 -2.906 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.747 -5.691 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.900 -4.381 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.332 -3.060 13.100 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.027 -4.181 12.768 1.00 0.00 H new ATOM 1012 N GLU A 71 9.957 -5.436 8.557 1.00 0.00 N ATOM 1013 CA GLU A 71 10.776 -5.888 7.438 1.00 0.00 C ATOM 1014 C GLU A 71 10.548 -5.013 6.209 1.00 0.00 C ATOM 1015 O GLU A 71 11.462 -4.789 5.414 1.00 0.00 O ATOM 1016 CB GLU A 71 10.463 -7.348 7.104 1.00 0.00 C ATOM 1017 CG GLU A 71 11.121 -8.343 8.045 1.00 0.00 C ATOM 1018 CD GLU A 71 12.595 -8.538 7.749 1.00 0.00 C ATOM 1019 OE1 GLU A 71 12.919 -9.366 6.872 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.425 -7.864 8.394 1.00 0.00 O ATOM 0 H GLU A 71 9.142 -6.019 8.746 1.00 0.00 H new ATOM 0 HA GLU A 71 11.823 -5.807 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.383 -7.495 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.787 -7.556 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.003 -7.999 9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.609 -9.302 7.969 1.00 0.00 H new ATOM 1027 N VAL A 72 9.323 -4.521 6.059 1.00 0.00 N ATOM 1028 CA VAL A 72 8.973 -3.670 4.928 1.00 0.00 C ATOM 1029 C VAL A 72 9.360 -2.219 5.192 1.00 0.00 C ATOM 1030 O VAL A 72 10.085 -1.606 4.408 1.00 0.00 O ATOM 1031 CB VAL A 72 7.466 -3.740 4.617 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.120 -2.835 3.445 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.047 -5.175 4.336 1.00 0.00 C ATOM 0 H VAL A 72 8.555 -4.697 6.707 1.00 0.00 H new ATOM 0 HA VAL A 72 9.531 -4.041 4.068 1.00 0.00 H new ATOM 0 HB VAL A 72 6.915 -3.389 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.051 -2.898 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.383 -1.806 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.678 -3.152 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.979 -5.206 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.603 -5.555 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.258 -5.793 5.209 1.00 0.00 H new ATOM 1043 N VAL A 73 8.872 -1.674 6.302 1.00 0.00 N ATOM 1044 CA VAL A 73 9.167 -0.295 6.671 1.00 0.00 C ATOM 1045 C VAL A 73 10.631 0.043 6.408 1.00 0.00 C ATOM 1046 O VAL A 73 10.958 1.161 6.013 1.00 0.00 O ATOM 1047 CB VAL A 73 8.849 -0.031 8.155 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.793 -0.816 9.052 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.927 1.458 8.459 1.00 0.00 C ATOM 0 H VAL A 73 8.270 -2.167 6.962 1.00 0.00 H new ATOM 0 HA VAL A 73 8.533 0.341 6.053 1.00 0.00 H new ATOM 0 HB VAL A 73 7.832 -0.368 8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.553 -0.616 10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.683 -1.882 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.821 -0.513 8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.700 1.627 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.931 1.822 8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.206 1.994 7.842 1.00 0.00 H new ATOM 1059 N GLU A 74 11.507 -0.932 6.631 1.00 0.00 N ATOM 1060 CA GLU A 74 12.936 -0.737 6.419 1.00 0.00 C ATOM 1061 C GLU A 74 13.279 -0.801 4.933 1.00 0.00 C ATOM 1062 O GLU A 74 14.038 0.024 4.423 1.00 0.00 O ATOM 1063 CB GLU A 74 13.737 -1.794 7.183 1.00 0.00 C ATOM 1064 CG GLU A 74 14.105 -1.373 8.596 1.00 0.00 C ATOM 1065 CD GLU A 74 15.438 -0.653 8.661 1.00 0.00 C ATOM 1066 OE1 GLU A 74 16.477 -1.336 8.783 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.443 0.593 8.590 1.00 0.00 O ATOM 0 H GLU A 74 11.252 -1.864 6.958 1.00 0.00 H new ATOM 0 HA GLU A 74 13.201 0.251 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.157 -2.716 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.649 -2.017 6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.325 -0.723 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.141 -2.254 9.236 1.00 0.00 H new ATOM 1074 N LYS A 75 12.714 -1.785 4.243 1.00 0.00 N ATOM 1075 CA LYS A 75 12.957 -1.958 2.816 1.00 0.00 C ATOM 1076 C LYS A 75 12.498 -0.732 2.033 1.00 0.00 C ATOM 1077 O LYS A 75 12.972 -0.476 0.926 1.00 0.00 O ATOM 1078 CB LYS A 75 12.234 -3.204 2.301 1.00 0.00 C ATOM 1079 CG LYS A 75 12.845 -4.507 2.787 1.00 0.00 C ATOM 1080 CD LYS A 75 11.905 -5.680 2.568 1.00 0.00 C ATOM 1081 CE LYS A 75 12.672 -6.975 2.344 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.976 -7.667 3.627 1.00 0.00 N ATOM 0 H LYS A 75 12.084 -2.476 4.650 1.00 0.00 H new ATOM 0 HA LYS A 75 14.030 -2.081 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.190 -3.163 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.241 -3.193 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.783 -4.688 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.084 -4.424 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.250 -5.789 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.267 -5.480 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.089 -7.637 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.602 -6.760 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.499 -8.545 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.554 -7.046 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.088 -7.895 4.118 1.00 0.00 H new ATOM 1096 N VAL A 76 11.574 0.025 2.616 1.00 0.00 N ATOM 1097 CA VAL A 76 11.054 1.227 1.975 1.00 0.00 C ATOM 1098 C VAL A 76 11.935 2.434 2.272 1.00 0.00 C ATOM 1099 O VAL A 76 12.303 3.186 1.369 1.00 0.00 O ATOM 1100 CB VAL A 76 9.615 1.530 2.434 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.092 2.787 1.756 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.705 0.344 2.152 1.00 0.00 C ATOM 0 H VAL A 76 11.170 -0.173 3.531 1.00 0.00 H new ATOM 0 HA VAL A 76 11.053 1.038 0.902 1.00 0.00 H new ATOM 0 HB VAL A 76 9.624 1.704 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.074 2.985 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.730 3.632 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.096 2.646 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.692 0.576 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.699 0.137 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.071 -0.531 2.689 1.00 0.00 H new ATOM 1112 N LYS A 77 12.273 2.615 3.544 1.00 0.00 N ATOM 1113 CA LYS A 77 13.114 3.730 3.962 1.00 0.00 C ATOM 1114 C LYS A 77 14.527 3.584 3.407 1.00 0.00 C ATOM 1115 O LYS A 77 15.084 4.526 2.842 1.00 0.00 O ATOM 1116 CB LYS A 77 13.161 3.816 5.490 1.00 0.00 C ATOM 1117 CG LYS A 77 11.868 4.314 6.111 1.00 0.00 C ATOM 1118 CD LYS A 77 12.045 4.632 7.586 1.00 0.00 C ATOM 1119 CE LYS A 77 10.704 4.791 8.287 1.00 0.00 C ATOM 1120 NZ LYS A 77 10.054 6.089 7.953 1.00 0.00 N ATOM 0 H LYS A 77 11.977 2.003 4.304 1.00 0.00 H new ATOM 0 HA LYS A 77 12.680 4.648 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.392 2.830 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.974 4.480 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.530 5.206 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.091 3.559 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.615 3.836 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.625 5.549 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.045 3.971 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.848 4.724 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.143 6.159 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.671 6.872 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.893 6.143 6.927 1.00 0.00 H new ATOM 1134 N LYS A 78 15.102 2.398 3.570 1.00 0.00 N ATOM 1135 CA LYS A 78 16.449 2.127 3.082 1.00 0.00 C ATOM 1136 C LYS A 78 16.533 2.329 1.573 1.00 0.00 C ATOM 1137 O LYS A 78 17.489 2.916 1.068 1.00 0.00 O ATOM 1138 CB LYS A 78 16.866 0.698 3.440 1.00 0.00 C ATOM 1139 CG LYS A 78 17.091 0.485 4.927 1.00 0.00 C ATOM 1140 CD LYS A 78 18.084 -0.636 5.185 1.00 0.00 C ATOM 1141 CE LYS A 78 17.456 -2.002 4.954 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.263 -3.094 5.564 1.00 0.00 N ATOM 0 H LYS A 78 14.656 1.608 4.037 1.00 0.00 H new ATOM 0 HA LYS A 78 17.130 2.829 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.097 0.007 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.782 0.450 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.458 1.408 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.142 0.250 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.947 -0.516 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.449 -0.571 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.451 -2.015 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.356 -2.179 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.802 -4.009 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.215 -3.098 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.337 -2.939 6.590 1.00 0.00 H new ATOM 1156 N SER A 79 15.525 1.839 0.858 1.00 0.00 N ATOM 1157 CA SER A 79 15.486 1.964 -0.594 1.00 0.00 C ATOM 1158 C SER A 79 16.092 3.291 -1.042 1.00 0.00 C ATOM 1159 O SER A 79 16.841 3.347 -2.016 1.00 0.00 O ATOM 1160 CB SER A 79 14.046 1.853 -1.099 1.00 0.00 C ATOM 1161 OG SER A 79 14.012 1.584 -2.490 1.00 0.00 O ATOM 0 H SER A 79 14.725 1.352 1.261 1.00 0.00 H new ATOM 0 HA SER A 79 16.076 1.152 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.528 1.060 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.512 2.780 -0.892 1.00 0.00 H new ATOM 0 HG SER A 79 13.564 2.321 -2.955 1.00 0.00 H new ATOM 1167 N GLY A 80 15.763 4.358 -0.321 1.00 0.00 N ATOM 1168 CA GLY A 80 16.283 5.671 -0.658 1.00 0.00 C ATOM 1169 C GLY A 80 15.206 6.738 -0.661 1.00 0.00 C ATOM 1170 O GLY A 80 14.634 7.054 0.382 1.00 0.00 O ATOM 0 H GLY A 80 15.146 4.337 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.060 5.945 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.753 5.631 -1.641 1.00 0.00 H new ATOM 1174 N SER A 81 14.930 7.295 -1.835 1.00 0.00 N ATOM 1175 CA SER A 81 13.919 8.337 -1.968 1.00 0.00 C ATOM 1176 C SER A 81 12.614 7.762 -2.511 1.00 0.00 C ATOM 1177 O SER A 81 11.540 8.001 -1.958 1.00 0.00 O ATOM 1178 CB SER A 81 14.421 9.450 -2.890 1.00 0.00 C ATOM 1179 OG SER A 81 15.246 10.363 -2.186 1.00 0.00 O ATOM 0 H SER A 81 15.392 7.042 -2.708 1.00 0.00 H new ATOM 0 HA SER A 81 13.729 8.752 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.979 9.015 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.572 9.980 -3.321 1.00 0.00 H new ATOM 0 HG SER A 81 15.555 11.063 -2.798 1.00 0.00 H new ATOM 1185 N ARG A 82 12.716 7.003 -3.597 1.00 0.00 N ATOM 1186 CA ARG A 82 11.545 6.394 -4.216 1.00 0.00 C ATOM 1187 C ARG A 82 11.537 4.884 -3.996 1.00 0.00 C ATOM 1188 O ARG A 82 12.569 4.284 -3.694 1.00 0.00 O ATOM 1189 CB ARG A 82 11.516 6.702 -5.714 1.00 0.00 C ATOM 1190 CG ARG A 82 12.870 6.566 -6.391 1.00 0.00 C ATOM 1191 CD ARG A 82 12.767 6.783 -7.892 1.00 0.00 C ATOM 1192 NE ARG A 82 12.943 8.186 -8.256 1.00 0.00 N ATOM 1193 CZ ARG A 82 14.111 8.816 -8.211 1.00 0.00 C ATOM 1194 NH1 ARG A 82 15.202 8.170 -7.822 1.00 0.00 N ATOM 1195 NH2 ARG A 82 14.191 10.094 -8.558 1.00 0.00 N ATOM 0 H ARG A 82 13.597 6.795 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 82 10.656 6.817 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.807 6.032 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.147 7.717 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.565 7.289 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.279 5.575 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.521 6.180 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.795 6.437 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 82 12.124 8.711 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.145 7.187 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.098 8.656 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.355 10.594 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.089 10.577 -8.523 1.00 0.00 H new ATOM 1209 N VAL A 83 10.365 4.275 -4.148 1.00 0.00 N ATOM 1210 CA VAL A 83 10.222 2.836 -3.967 1.00 0.00 C ATOM 1211 C VAL A 83 9.270 2.243 -5.000 1.00 0.00 C ATOM 1212 O VAL A 83 8.530 2.968 -5.664 1.00 0.00 O ATOM 1213 CB VAL A 83 9.707 2.496 -2.556 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.841 2.558 -1.544 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.578 3.435 -2.161 1.00 0.00 C ATOM 0 H VAL A 83 9.501 4.757 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 83 11.213 2.401 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 83 9.316 1.478 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.458 2.315 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.614 1.841 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.264 3.562 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.226 3.180 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.941 4.463 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.757 3.336 -2.871 1.00 0.00 H new ATOM 1225 N MET A 84 9.294 0.921 -5.129 1.00 0.00 N ATOM 1226 CA MET A 84 8.430 0.231 -6.080 1.00 0.00 C ATOM 1227 C MET A 84 7.503 -0.746 -5.364 1.00 0.00 C ATOM 1228 O MET A 84 7.939 -1.793 -4.885 1.00 0.00 O ATOM 1229 CB MET A 84 9.272 -0.515 -7.118 1.00 0.00 C ATOM 1230 CG MET A 84 8.465 -1.471 -7.981 1.00 0.00 C ATOM 1231 SD MET A 84 9.491 -2.723 -8.776 1.00 0.00 S ATOM 1232 CE MET A 84 10.541 -1.698 -9.803 1.00 0.00 C ATOM 0 H MET A 84 9.902 0.306 -4.588 1.00 0.00 H new ATOM 0 HA MET A 84 7.819 0.979 -6.586 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.768 0.212 -7.761 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.055 -1.074 -6.605 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.711 -1.962 -7.365 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.933 -0.904 -8.745 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.160 -2.332 -10.438 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.922 -1.054 -10.427 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.181 -1.084 -9.170 1.00 0.00 H new ATOM 1242 N PHE A 85 6.223 -0.396 -5.294 1.00 0.00 N ATOM 1243 CA PHE A 85 5.235 -1.242 -4.634 1.00 0.00 C ATOM 1244 C PHE A 85 4.416 -2.022 -5.658 1.00 0.00 C ATOM 1245 O PHE A 85 3.861 -1.446 -6.595 1.00 0.00 O ATOM 1246 CB PHE A 85 4.307 -0.393 -3.762 1.00 0.00 C ATOM 1247 CG PHE A 85 5.015 0.309 -2.639 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.624 -0.415 -1.626 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.073 1.693 -2.596 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.277 0.228 -0.592 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.725 2.341 -1.564 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.327 1.608 -0.560 1.00 0.00 C ATOM 0 H PHE A 85 5.846 0.467 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 85 5.766 -1.953 -4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.811 0.349 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.527 -1.032 -3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.588 -1.494 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.603 2.272 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.748 -0.348 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.764 3.420 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.836 2.113 0.248 1.00 0.00 H new ATOM 1262 N LEU A 86 4.346 -3.335 -5.474 1.00 0.00 N ATOM 1263 CA LEU A 86 3.595 -4.196 -6.382 1.00 0.00 C ATOM 1264 C LEU A 86 2.475 -4.921 -5.643 1.00 0.00 C ATOM 1265 O LEU A 86 2.728 -5.760 -4.777 1.00 0.00 O ATOM 1266 CB LEU A 86 4.529 -5.214 -7.040 1.00 0.00 C ATOM 1267 CG LEU A 86 3.862 -6.248 -7.947 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.596 -5.658 -9.323 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.726 -7.496 -8.058 1.00 0.00 C ATOM 0 H LEU A 86 4.800 -3.827 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 86 3.150 -3.568 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.271 -4.671 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.068 -5.743 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 86 2.907 -6.530 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.121 -6.408 -9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.938 -4.794 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.538 -5.348 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.236 -8.221 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.696 -7.231 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.866 -7.931 -7.068 1.00 0.00 H new ATOM 1281 N LEU A 87 1.235 -4.594 -5.992 1.00 0.00 N ATOM 1282 CA LEU A 87 0.074 -5.215 -5.363 1.00 0.00 C ATOM 1283 C LEU A 87 -0.940 -5.660 -6.413 1.00 0.00 C ATOM 1284 O LEU A 87 -0.796 -5.358 -7.597 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.582 -4.241 -4.384 1.00 0.00 C ATOM 1286 CG LEU A 87 0.348 -3.220 -3.727 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.542 -2.015 -4.634 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.202 -2.790 -2.375 1.00 0.00 C ATOM 0 H LEU A 87 1.008 -3.903 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 87 0.414 -6.095 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.367 -3.700 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.067 -4.819 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 87 1.319 -3.690 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.206 -1.299 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.981 -2.337 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.422 -1.544 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.473 -2.063 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.185 -2.338 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.288 -3.660 -1.724 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.966 -6.379 -5.969 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.006 -6.863 -6.869 1.00 0.00 C ATOM 1302 C VAL A 88 -4.377 -6.340 -6.455 1.00 0.00 C ATOM 1303 O VAL A 88 -4.640 -6.124 -5.271 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.045 -8.402 -6.905 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -3.732 -8.889 -8.172 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.639 -8.973 -6.797 1.00 0.00 C ATOM 0 H VAL A 88 -2.099 -6.639 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.763 -6.490 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.622 -8.754 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.750 -9.979 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.753 -8.509 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.186 -8.529 -9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.685 -10.062 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.036 -8.615 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.187 -8.652 -5.858 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.249 -6.140 -7.437 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.595 -5.644 -7.175 1.00 0.00 C ATOM 1318 C ASP A 89 -7.382 -6.633 -6.321 1.00 0.00 C ATOM 1319 O ASP A 89 -7.602 -7.777 -6.720 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.332 -5.388 -8.491 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.424 -4.813 -9.561 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.757 -5.604 -10.260 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.380 -3.572 -9.698 1.00 0.00 O ATOM 0 H ASP A 89 -5.048 -6.314 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.510 -4.706 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.765 -6.322 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.159 -4.701 -8.313 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.803 -6.185 -5.143 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.566 -7.029 -4.232 1.00 0.00 C ATOM 1330 C LYS A 90 -9.693 -7.747 -4.968 1.00 0.00 C ATOM 1331 O LYS A 90 -10.160 -8.798 -4.532 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.143 -6.190 -3.089 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.321 -5.326 -3.504 1.00 0.00 C ATOM 1334 CD LYS A 90 -9.868 -3.951 -3.965 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.052 -3.061 -4.311 1.00 0.00 C ATOM 1336 NZ LYS A 90 -10.618 -1.711 -4.765 1.00 0.00 N ATOM 0 H LYS A 90 -7.628 -5.242 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.890 -7.778 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.456 -6.855 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.358 -5.550 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.869 -5.818 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.010 -5.221 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.275 -3.480 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.221 -4.053 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.645 -3.534 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.698 -2.960 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.292 -0.997 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.672 -1.504 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.586 -1.688 -5.804 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.122 -7.172 -6.087 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.194 -7.759 -6.884 1.00 0.00 C ATOM 1352 C GLU A 91 -10.732 -9.053 -7.547 1.00 0.00 C ATOM 1353 O GLU A 91 -11.494 -10.014 -7.657 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.668 -6.768 -7.949 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.197 -5.464 -7.376 1.00 0.00 C ATOM 1356 CD GLU A 91 -12.456 -4.420 -8.444 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.835 -4.803 -9.570 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -12.279 -3.218 -8.153 1.00 0.00 O ATOM 0 H GLU A 91 -9.745 -6.302 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.025 -7.989 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.840 -6.549 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.450 -7.236 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.121 -5.659 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.480 -5.071 -6.655 1.00 0.00 H new