USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 19 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.78) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-5.8!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.75 F(o=-2.4,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.00133 K(o=0.0013,f=-3.6!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -138:sc= 0.993 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 98 SER OG : rot 81:sc= -0.427 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0506 K(o=-0.051,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.802 -0.019 7.368 1.00 0.00 N ATOM 81 CA ALA A 9 -17.902 -1.338 6.756 1.00 0.00 C ATOM 82 C ALA A 9 -17.138 -2.379 7.567 1.00 0.00 C ATOM 83 O ALA A 9 -16.436 -2.043 8.521 1.00 0.00 O ATOM 84 CB ALA A 9 -17.384 -1.296 5.326 1.00 0.00 C ATOM 0 HA ALA A 9 -18.953 -1.627 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.464 -2.288 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.976 -0.588 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.340 -0.982 5.326 1.00 0.00 H new ATOM 90 N ARG A 10 -17.280 -3.643 7.182 1.00 0.00 N ATOM 91 CA ARG A 10 -16.605 -4.733 7.876 1.00 0.00 C ATOM 92 C ARG A 10 -15.594 -5.416 6.960 1.00 0.00 C ATOM 93 O ARG A 10 -15.806 -5.519 5.751 1.00 0.00 O ATOM 94 CB ARG A 10 -17.625 -5.755 8.379 1.00 0.00 C ATOM 95 CG ARG A 10 -18.505 -5.235 9.504 1.00 0.00 C ATOM 96 CD ARG A 10 -19.210 -6.369 10.231 1.00 0.00 C ATOM 97 NE ARG A 10 -20.431 -6.783 9.546 1.00 0.00 N ATOM 98 CZ ARG A 10 -20.451 -7.649 8.539 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.322 -8.190 8.102 1.00 0.00 N ATOM 100 NH2 ARG A 10 -21.603 -7.976 7.966 1.00 0.00 N ATOM 0 H ARG A 10 -17.856 -3.937 6.394 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.072 -4.313 8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.258 -6.063 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.096 -6.644 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.897 -4.671 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.246 -4.545 9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.535 -7.221 10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.453 -6.053 11.246 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.317 -6.386 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.435 -7.942 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.341 -8.855 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.474 -7.562 8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.617 -8.641 7.193 1.00 0.00 H new ATOM 114 N LEU A 11 -14.495 -5.881 7.543 1.00 0.00 N ATOM 115 CA LEU A 11 -13.450 -6.555 6.780 1.00 0.00 C ATOM 116 C LEU A 11 -13.922 -7.923 6.300 1.00 0.00 C ATOM 117 O LEU A 11 -14.485 -8.702 7.069 1.00 0.00 O ATOM 118 CB LEU A 11 -12.187 -6.708 7.630 1.00 0.00 C ATOM 119 CG LEU A 11 -11.041 -7.495 6.994 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.585 -6.828 5.706 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.880 -7.627 7.969 1.00 0.00 C ATOM 0 H LEU A 11 -14.304 -5.804 8.542 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.221 -5.943 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.821 -5.713 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.460 -7.195 8.566 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.402 -8.495 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.769 -7.403 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.417 -6.786 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.241 -5.816 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.073 -8.190 7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.520 -6.635 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.215 -8.151 8.865 1.00 0.00 H new ATOM 133 N VAL A 12 -13.687 -8.211 5.023 1.00 0.00 N ATOM 134 CA VAL A 12 -14.085 -9.487 4.441 1.00 0.00 C ATOM 135 C VAL A 12 -12.868 -10.338 4.097 1.00 0.00 C ATOM 136 O VAL A 12 -12.896 -11.561 4.230 1.00 0.00 O ATOM 137 CB VAL A 12 -14.932 -9.284 3.170 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.410 -10.622 2.628 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.109 -8.364 3.456 1.00 0.00 C ATOM 0 H VAL A 12 -13.223 -7.577 4.372 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.685 -10.003 5.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.309 -8.813 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.007 -10.459 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.549 -11.244 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.018 -11.124 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.696 -8.232 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.735 -8.805 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.740 -7.396 3.794 1.00 0.00 H new ATOM 149 N ALA A 13 -11.800 -9.682 3.655 1.00 0.00 N ATOM 150 CA ALA A 13 -10.571 -10.378 3.294 1.00 0.00 C ATOM 151 C ALA A 13 -9.346 -9.527 3.608 1.00 0.00 C ATOM 152 O ALA A 13 -9.063 -8.550 2.916 1.00 0.00 O ATOM 153 CB ALA A 13 -10.591 -10.755 1.820 1.00 0.00 C ATOM 0 H ALA A 13 -11.761 -8.669 3.538 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.510 -11.289 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.667 -11.274 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.441 -11.409 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.679 -9.853 1.215 1.00 0.00 H new ATOM 159 N GLY A 14 -8.622 -9.904 4.658 1.00 0.00 N ATOM 160 CA GLY A 14 -7.436 -9.163 5.046 1.00 0.00 C ATOM 161 C GLY A 14 -6.305 -9.315 4.047 1.00 0.00 C ATOM 162 O GLY A 14 -6.299 -10.248 3.242 1.00 0.00 O ATOM 0 H GLY A 14 -8.836 -10.709 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.688 -8.107 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.101 -9.506 6.025 1.00 0.00 H new ATOM 166 N LEU A 15 -5.348 -8.396 4.096 1.00 0.00 N ATOM 167 CA LEU A 15 -4.207 -8.430 3.187 1.00 0.00 C ATOM 168 C LEU A 15 -3.369 -9.684 3.412 1.00 0.00 C ATOM 169 O LEU A 15 -3.689 -10.510 4.265 1.00 0.00 O ATOM 170 CB LEU A 15 -3.342 -7.183 3.376 1.00 0.00 C ATOM 171 CG LEU A 15 -4.016 -5.845 3.069 1.00 0.00 C ATOM 172 CD1 LEU A 15 -4.732 -5.313 4.301 1.00 0.00 C ATOM 173 CD2 LEU A 15 -2.995 -4.835 2.567 1.00 0.00 C ATOM 0 H LEU A 15 -5.339 -7.618 4.755 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.588 -8.449 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.991 -7.162 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.461 -7.277 2.741 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.755 -6.005 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.206 -4.360 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.492 -6.027 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.012 -5.169 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.493 -3.889 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.232 -4.679 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.527 -5.212 1.657 1.00 0.00 H new ATOM 185 N GLU A 16 -2.293 -9.816 2.643 1.00 0.00 N ATOM 186 CA GLU A 16 -1.407 -10.969 2.761 1.00 0.00 C ATOM 187 C GLU A 16 0.056 -10.541 2.691 1.00 0.00 C ATOM 188 O GLU A 16 0.410 -9.621 1.953 1.00 0.00 O ATOM 189 CB GLU A 16 -1.706 -11.984 1.656 1.00 0.00 C ATOM 190 CG GLU A 16 -1.248 -11.537 0.278 1.00 0.00 C ATOM 191 CD GLU A 16 -1.622 -12.525 -0.810 1.00 0.00 C ATOM 192 OE1 GLU A 16 -1.304 -13.723 -0.660 1.00 0.00 O ATOM 193 OE2 GLU A 16 -2.235 -12.099 -1.812 1.00 0.00 O ATOM 0 H GLU A 16 -2.014 -9.140 1.932 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.585 -11.434 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.222 -12.929 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.779 -12.173 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.689 -10.567 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.166 -11.402 0.285 1.00 0.00 H new ATOM 200 N ASP A 17 0.900 -11.213 3.464 1.00 0.00 N ATOM 201 CA ASP A 17 2.325 -10.904 3.491 1.00 0.00 C ATOM 202 C ASP A 17 2.967 -11.183 2.135 1.00 0.00 C ATOM 203 O ASP A 17 2.599 -12.135 1.447 1.00 0.00 O ATOM 204 CB ASP A 17 3.026 -11.719 4.579 1.00 0.00 C ATOM 205 CG ASP A 17 2.702 -13.197 4.493 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.503 -13.545 4.523 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.648 -14.007 4.396 1.00 0.00 O ATOM 0 H ASP A 17 0.623 -11.976 4.081 1.00 0.00 H new ATOM 0 HA ASP A 17 2.437 -9.843 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.104 -11.581 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.732 -11.342 5.558 1.00 0.00 H new ATOM 212 N VAL A 18 3.929 -10.347 1.758 1.00 0.00 N ATOM 213 CA VAL A 18 4.623 -10.504 0.485 1.00 0.00 C ATOM 214 C VAL A 18 6.112 -10.213 0.631 1.00 0.00 C ATOM 215 O VAL A 18 6.506 -9.284 1.335 1.00 0.00 O ATOM 216 CB VAL A 18 4.033 -9.576 -0.593 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.775 -9.748 -1.910 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.546 -9.843 -0.771 1.00 0.00 C ATOM 0 H VAL A 18 4.246 -9.554 2.316 1.00 0.00 H new ATOM 0 HA VAL A 18 4.487 -11.540 0.176 1.00 0.00 H new ATOM 0 HB VAL A 18 4.157 -8.544 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.344 -9.084 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.828 -9.502 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.686 -10.781 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.146 -9.178 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.396 -10.879 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.029 -9.664 0.172 1.00 0.00 H new ATOM 228 N GLN A 19 6.934 -11.015 -0.038 1.00 0.00 N ATOM 229 CA GLN A 19 8.381 -10.843 0.017 1.00 0.00 C ATOM 230 C GLN A 19 9.000 -10.988 -1.369 1.00 0.00 C ATOM 231 O GLN A 19 8.827 -12.010 -2.033 1.00 0.00 O ATOM 232 CB GLN A 19 9.000 -11.862 0.975 1.00 0.00 C ATOM 233 CG GLN A 19 9.251 -13.220 0.339 1.00 0.00 C ATOM 234 CD GLN A 19 9.723 -14.256 1.341 1.00 0.00 C ATOM 235 OE1 GLN A 19 10.737 -14.923 1.131 1.00 0.00 O ATOM 236 NE2 GLN A 19 8.989 -14.395 2.439 1.00 0.00 N ATOM 0 H GLN A 19 6.623 -11.790 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 19 8.589 -9.838 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.943 -11.467 1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.341 -11.988 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.334 -13.570 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.997 -13.116 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.156 -13.821 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.258 -15.076 3.150 1.00 0.00 H new ATOM 245 N VAL A 20 9.723 -9.959 -1.800 1.00 0.00 N ATOM 246 CA VAL A 20 10.369 -9.972 -3.107 1.00 0.00 C ATOM 247 C VAL A 20 11.816 -9.502 -3.009 1.00 0.00 C ATOM 248 O VAL A 20 12.226 -8.927 -2.001 1.00 0.00 O ATOM 249 CB VAL A 20 9.617 -9.082 -4.113 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.218 -9.623 -4.365 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.560 -7.646 -3.615 1.00 0.00 C ATOM 0 H VAL A 20 9.876 -9.106 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 20 10.349 -11.003 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 20 10.160 -9.094 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.702 -8.980 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.286 -10.633 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.662 -9.644 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.025 -7.031 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.041 -7.613 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.573 -7.263 -3.492 1.00 0.00 H new ATOM 261 N TYR A 21 12.584 -9.748 -4.064 1.00 0.00 N ATOM 262 CA TYR A 21 13.987 -9.351 -4.098 1.00 0.00 C ATOM 263 C TYR A 21 14.124 -7.859 -4.382 1.00 0.00 C ATOM 264 O TYR A 21 13.148 -7.186 -4.715 1.00 0.00 O ATOM 265 CB TYR A 21 14.741 -10.155 -5.159 1.00 0.00 C ATOM 266 CG TYR A 21 15.082 -11.562 -4.723 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.092 -12.436 -4.292 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.395 -12.017 -4.741 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.398 -13.723 -3.893 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.711 -13.302 -4.345 1.00 0.00 C ATOM 271 CZ TYR A 21 15.709 -14.151 -3.922 1.00 0.00 C ATOM 272 OH TYR A 21 16.020 -15.432 -3.525 1.00 0.00 O ATOM 0 H TYR A 21 12.259 -10.221 -4.907 1.00 0.00 H new ATOM 0 HA TYR A 21 14.420 -9.557 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.137 -10.201 -6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.661 -9.630 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.065 -12.104 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.182 -11.354 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.616 -14.389 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.736 -13.640 -4.366 1.00 0.00 H new ATOM 0 HH TYR A 21 16.986 -15.574 -3.607 1.00 0.00 H new ATOM 282 N ASP A 22 15.343 -7.347 -4.248 1.00 0.00 N ATOM 283 CA ASP A 22 15.610 -5.935 -4.491 1.00 0.00 C ATOM 284 C ASP A 22 15.145 -5.526 -5.886 1.00 0.00 C ATOM 285 O ASP A 22 15.317 -6.269 -6.851 1.00 0.00 O ATOM 286 CB ASP A 22 17.103 -5.641 -4.332 1.00 0.00 C ATOM 287 CG ASP A 22 17.494 -4.297 -4.914 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.989 -3.267 -4.421 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.307 -4.276 -5.861 1.00 0.00 O ATOM 0 H ASP A 22 16.162 -7.889 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 22 15.053 -5.354 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.364 -5.665 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.679 -6.427 -4.821 1.00 0.00 H new ATOM 294 N GLY A 23 14.555 -4.338 -5.983 1.00 0.00 N ATOM 295 CA GLY A 23 14.073 -3.852 -7.262 1.00 0.00 C ATOM 296 C GLY A 23 12.722 -4.431 -7.631 1.00 0.00 C ATOM 297 O GLY A 23 11.900 -3.758 -8.252 1.00 0.00 O ATOM 0 H GLY A 23 14.403 -3.704 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.002 -2.765 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.796 -4.102 -8.038 1.00 0.00 H new ATOM 301 N GLU A 24 12.492 -5.684 -7.250 1.00 0.00 N ATOM 302 CA GLU A 24 11.231 -6.353 -7.547 1.00 0.00 C ATOM 303 C GLU A 24 10.045 -5.484 -7.142 1.00 0.00 C ATOM 304 O GLU A 24 10.211 -4.453 -6.489 1.00 0.00 O ATOM 305 CB GLU A 24 11.161 -7.700 -6.825 1.00 0.00 C ATOM 306 CG GLU A 24 12.307 -8.636 -7.170 1.00 0.00 C ATOM 307 CD GLU A 24 12.494 -8.804 -8.665 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.699 -9.541 -9.285 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.436 -8.197 -9.216 1.00 0.00 O ATOM 0 H GLU A 24 13.162 -6.256 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 24 11.184 -6.522 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.157 -7.526 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.218 -8.187 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.229 -8.252 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.123 -9.611 -6.719 1.00 0.00 H new ATOM 316 N ASP A 25 8.848 -5.906 -7.533 1.00 0.00 N ATOM 317 CA ASP A 25 7.632 -5.168 -7.211 1.00 0.00 C ATOM 318 C ASP A 25 6.735 -5.977 -6.280 1.00 0.00 C ATOM 319 O ASP A 25 6.543 -7.177 -6.476 1.00 0.00 O ATOM 320 CB ASP A 25 6.872 -4.811 -8.489 1.00 0.00 C ATOM 321 CG ASP A 25 6.893 -5.934 -9.507 1.00 0.00 C ATOM 322 OD1 ASP A 25 7.930 -6.106 -10.180 1.00 0.00 O ATOM 323 OD2 ASP A 25 5.870 -6.641 -9.632 1.00 0.00 O ATOM 0 H ASP A 25 8.693 -6.757 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 25 7.920 -4.249 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.839 -4.570 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.310 -3.916 -8.931 1.00 0.00 H new ATOM 328 N ALA A 26 6.190 -5.313 -5.266 1.00 0.00 N ATOM 329 CA ALA A 26 5.313 -5.971 -4.306 1.00 0.00 C ATOM 330 C ALA A 26 3.846 -5.738 -4.653 1.00 0.00 C ATOM 331 O ALA A 26 3.498 -4.742 -5.289 1.00 0.00 O ATOM 332 CB ALA A 26 5.608 -5.478 -2.897 1.00 0.00 C ATOM 0 H ALA A 26 6.341 -4.320 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 26 5.505 -7.043 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.945 -5.978 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.644 -5.701 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.446 -4.401 -2.847 1.00 0.00 H new ATOM 338 N VAL A 27 2.989 -6.662 -4.231 1.00 0.00 N ATOM 339 CA VAL A 27 1.559 -6.557 -4.497 1.00 0.00 C ATOM 340 C VAL A 27 0.746 -6.765 -3.224 1.00 0.00 C ATOM 341 O VAL A 27 1.013 -7.683 -2.448 1.00 0.00 O ATOM 342 CB VAL A 27 1.108 -7.582 -5.555 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.377 -7.430 -5.847 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.928 -7.430 -6.827 1.00 0.00 C ATOM 0 H VAL A 27 3.260 -7.492 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 27 1.381 -5.551 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 27 1.275 -8.584 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.677 -8.162 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.946 -7.593 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.573 -6.426 -6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.596 -8.162 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.794 -6.425 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.982 -7.594 -6.602 1.00 0.00 H new ATOM 354 N PHE A 28 -0.247 -5.907 -3.016 1.00 0.00 N ATOM 355 CA PHE A 28 -1.099 -5.997 -1.836 1.00 0.00 C ATOM 356 C PHE A 28 -2.533 -5.595 -2.170 1.00 0.00 C ATOM 357 O PHE A 28 -2.766 -4.730 -3.014 1.00 0.00 O ATOM 358 CB PHE A 28 -0.554 -5.105 -0.719 1.00 0.00 C ATOM 359 CG PHE A 28 0.852 -5.444 -0.313 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.134 -6.645 0.318 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.890 -4.562 -0.561 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.427 -6.961 0.692 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.185 -4.872 -0.190 1.00 0.00 C ATOM 364 CZ PHE A 28 3.453 -6.072 0.439 1.00 0.00 C ATOM 0 H PHE A 28 -0.481 -5.142 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.100 -7.033 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.589 -4.066 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.205 -5.188 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.334 -7.342 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.686 -3.621 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.634 -7.901 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.986 -4.177 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.464 -6.315 0.733 1.00 0.00 H new ATOM 374 N SER A 29 -3.490 -6.229 -1.500 1.00 0.00 N ATOM 375 CA SER A 29 -4.901 -5.942 -1.728 1.00 0.00 C ATOM 376 C SER A 29 -5.768 -6.595 -0.656 1.00 0.00 C ATOM 377 O SER A 29 -5.318 -7.485 0.067 1.00 0.00 O ATOM 378 CB SER A 29 -5.327 -6.432 -3.113 1.00 0.00 C ATOM 379 OG SER A 29 -5.107 -7.825 -3.250 1.00 0.00 O ATOM 0 H SER A 29 -3.314 -6.945 -0.795 1.00 0.00 H new ATOM 0 HA SER A 29 -5.039 -4.862 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.382 -6.210 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.769 -5.895 -3.880 1.00 0.00 H new ATOM 0 HG SER A 29 -5.389 -8.114 -4.143 1.00 0.00 H new ATOM 385 N LEU A 30 -7.015 -6.148 -0.559 1.00 0.00 N ATOM 386 CA LEU A 30 -7.948 -6.688 0.424 1.00 0.00 C ATOM 387 C LEU A 30 -9.384 -6.605 -0.084 1.00 0.00 C ATOM 388 O LEU A 30 -9.649 -6.016 -1.132 1.00 0.00 O ATOM 389 CB LEU A 30 -7.819 -5.932 1.748 1.00 0.00 C ATOM 390 CG LEU A 30 -8.275 -4.472 1.734 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.746 -4.369 2.104 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.425 -3.639 2.682 1.00 0.00 C ATOM 0 H LEU A 30 -7.404 -5.413 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.700 -7.737 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.395 -6.464 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.775 -5.963 2.061 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.147 -4.081 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.053 -3.323 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.342 -4.932 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.899 -4.778 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.763 -2.603 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.521 -4.030 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.381 -3.687 2.372 1.00 0.00 H new ATOM 404 N ASP A 31 -10.306 -7.197 0.667 1.00 0.00 N ATOM 405 CA ASP A 31 -11.716 -7.187 0.294 1.00 0.00 C ATOM 406 C ASP A 31 -12.575 -6.640 1.430 1.00 0.00 C ATOM 407 O ASP A 31 -12.184 -6.689 2.597 1.00 0.00 O ATOM 408 CB ASP A 31 -12.178 -8.598 -0.076 1.00 0.00 C ATOM 409 CG ASP A 31 -11.316 -9.224 -1.155 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.087 -9.310 -0.957 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.872 -9.628 -2.198 1.00 0.00 O ATOM 0 H ASP A 31 -10.103 -7.689 1.537 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.832 -6.536 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.158 -9.229 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.213 -8.561 -0.417 1.00 0.00 H new ATOM 416 N LEU A 32 -13.745 -6.117 1.081 1.00 0.00 N ATOM 417 CA LEU A 32 -14.659 -5.558 2.071 1.00 0.00 C ATOM 418 C LEU A 32 -16.085 -6.044 1.830 1.00 0.00 C ATOM 419 O LEU A 32 -16.392 -6.602 0.777 1.00 0.00 O ATOM 420 CB LEU A 32 -14.615 -4.030 2.030 1.00 0.00 C ATOM 421 CG LEU A 32 -13.241 -3.393 2.240 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.311 -1.889 2.021 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.714 -3.707 3.632 1.00 0.00 C ATOM 0 H LEU A 32 -14.083 -6.068 0.120 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.340 -5.898 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.002 -3.701 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.292 -3.646 2.793 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.551 -3.815 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.324 -1.453 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.644 -1.685 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.016 -1.451 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.735 -3.245 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.404 -3.314 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.625 -4.787 3.752 1.00 0.00 H new ATOM 435 N SER A 33 -16.953 -5.825 2.813 1.00 0.00 N ATOM 436 CA SER A 33 -18.347 -6.241 2.709 1.00 0.00 C ATOM 437 C SER A 33 -19.149 -5.249 1.873 1.00 0.00 C ATOM 438 O SER A 33 -20.114 -5.619 1.203 1.00 0.00 O ATOM 439 CB SER A 33 -18.967 -6.372 4.101 1.00 0.00 C ATOM 440 OG SER A 33 -20.054 -7.282 4.092 1.00 0.00 O ATOM 0 H SER A 33 -16.715 -5.362 3.690 1.00 0.00 H new ATOM 0 HA SER A 33 -18.375 -7.212 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.211 -6.711 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.309 -5.395 4.444 1.00 0.00 H new ATOM 0 HG SER A 33 -20.432 -7.349 4.994 1.00 0.00 H new ATOM 446 N THR A 34 -18.744 -3.983 1.918 1.00 0.00 N ATOM 447 CA THR A 34 -19.424 -2.936 1.167 1.00 0.00 C ATOM 448 C THR A 34 -18.443 -1.865 0.704 1.00 0.00 C ATOM 449 O THR A 34 -17.256 -1.916 1.029 1.00 0.00 O ATOM 450 CB THR A 34 -20.533 -2.273 2.006 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.406 -1.520 1.157 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.936 -1.359 3.065 1.00 0.00 C ATOM 0 H THR A 34 -17.948 -3.659 2.467 1.00 0.00 H new ATOM 0 HA THR A 34 -19.874 -3.413 0.296 1.00 0.00 H new ATOM 0 HB THR A 34 -21.100 -3.059 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.109 -1.103 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.738 -0.902 3.645 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.295 -1.940 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.347 -0.579 2.582 1.00 0.00 H new ATOM 460 N ILE A 35 -18.946 -0.896 -0.053 1.00 0.00 N ATOM 461 CA ILE A 35 -18.112 0.188 -0.558 1.00 0.00 C ATOM 462 C ILE A 35 -17.776 1.183 0.547 1.00 0.00 C ATOM 463 O ILE A 35 -18.580 1.421 1.448 1.00 0.00 O ATOM 464 CB ILE A 35 -18.802 0.937 -1.714 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.192 -0.042 -2.824 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.890 2.026 -2.258 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.249 0.497 -3.761 1.00 0.00 C ATOM 0 H ILE A 35 -19.926 -0.839 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.193 -0.267 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.709 1.406 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.303 -0.298 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.555 -0.965 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.391 2.546 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.657 2.736 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.967 1.578 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.476 -0.250 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -21.153 0.726 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.881 1.404 -4.241 1.00 0.00 H new ATOM 479 N ILE A 36 -16.582 1.763 0.471 1.00 0.00 N ATOM 480 CA ILE A 36 -16.141 2.735 1.463 1.00 0.00 C ATOM 481 C ILE A 36 -14.819 3.376 1.054 1.00 0.00 C ATOM 482 O ILE A 36 -13.984 2.742 0.409 1.00 0.00 O ATOM 483 CB ILE A 36 -15.976 2.087 2.851 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.998 3.158 3.943 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.684 1.286 2.912 1.00 0.00 C ATOM 486 CD1 ILE A 36 -16.139 2.594 5.340 1.00 0.00 C ATOM 0 H ILE A 36 -15.904 1.576 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.913 3.502 1.518 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.810 1.406 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.079 3.742 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.824 3.844 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.582 0.835 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.706 0.502 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.837 1.947 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.147 3.410 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.071 2.034 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.300 1.931 5.551 1.00 0.00 H new ATOM 498 N GLN A 37 -14.636 4.636 1.435 1.00 0.00 N ATOM 499 CA GLN A 37 -13.415 5.363 1.109 1.00 0.00 C ATOM 500 C GLN A 37 -12.392 5.242 2.234 1.00 0.00 C ATOM 501 O GLN A 37 -12.621 5.711 3.348 1.00 0.00 O ATOM 502 CB GLN A 37 -13.728 6.836 0.845 1.00 0.00 C ATOM 503 CG GLN A 37 -13.996 7.637 2.109 1.00 0.00 C ATOM 504 CD GLN A 37 -14.707 8.947 1.830 1.00 0.00 C ATOM 505 OE1 GLN A 37 -14.092 9.918 1.386 1.00 0.00 O ATOM 506 NE2 GLN A 37 -16.009 8.982 2.089 1.00 0.00 N ATOM 0 H GLN A 37 -15.318 5.174 1.970 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.990 4.922 0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.892 7.286 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.598 6.903 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.599 7.039 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.051 7.841 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -16.478 8.154 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.540 9.837 1.921 1.00 0.00 H new ATOM 515 N GLY A 38 -11.262 4.608 1.934 1.00 0.00 N ATOM 516 CA GLY A 38 -10.222 4.437 2.931 1.00 0.00 C ATOM 517 C GLY A 38 -8.908 5.066 2.512 1.00 0.00 C ATOM 518 O GLY A 38 -8.855 5.828 1.546 1.00 0.00 O ATOM 0 H GLY A 38 -11.049 4.210 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.549 4.879 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.070 3.373 3.114 1.00 0.00 H new ATOM 522 N THR A 39 -7.842 4.749 3.241 1.00 0.00 N ATOM 523 CA THR A 39 -6.523 5.292 2.942 1.00 0.00 C ATOM 524 C THR A 39 -5.443 4.227 3.098 1.00 0.00 C ATOM 525 O THR A 39 -5.553 3.336 3.940 1.00 0.00 O ATOM 526 CB THR A 39 -6.186 6.486 3.855 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.008 7.608 3.516 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.719 6.868 3.727 1.00 0.00 C ATOM 0 H THR A 39 -7.867 4.119 4.043 1.00 0.00 H new ATOM 0 HA THR A 39 -6.548 5.632 1.907 1.00 0.00 H new ATOM 0 HB THR A 39 -6.379 6.193 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.789 8.363 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.505 7.713 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.096 6.021 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.504 7.144 2.695 1.00 0.00 H new ATOM 536 N TRP A 40 -4.400 4.326 2.282 1.00 0.00 N ATOM 537 CA TRP A 40 -3.299 3.370 2.330 1.00 0.00 C ATOM 538 C TRP A 40 -2.175 3.880 3.226 1.00 0.00 C ATOM 539 O TRP A 40 -2.033 5.085 3.435 1.00 0.00 O ATOM 540 CB TRP A 40 -2.764 3.105 0.922 1.00 0.00 C ATOM 541 CG TRP A 40 -3.571 2.096 0.161 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.434 2.344 -0.868 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.590 0.680 0.371 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.988 1.168 -1.311 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.486 0.132 -0.568 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.936 -0.178 1.258 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.744 -1.234 -0.640 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.193 -1.534 1.185 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.089 -2.051 0.241 1.00 0.00 C ATOM 0 H TRP A 40 -4.293 5.058 1.580 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.678 2.438 2.748 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.748 4.042 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.733 2.758 0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.649 3.321 -1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.664 1.080 -2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.242 0.211 1.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.437 -1.635 -1.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.694 -2.206 1.868 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.267 -3.116 0.208 1.00 0.00 H new ATOM 560 N PHE A 41 -1.378 2.956 3.752 1.00 0.00 N ATOM 561 CA PHE A 41 -0.267 3.312 4.626 1.00 0.00 C ATOM 562 C PHE A 41 1.010 2.592 4.204 1.00 0.00 C ATOM 563 O PHE A 41 0.961 1.523 3.593 1.00 0.00 O ATOM 564 CB PHE A 41 -0.603 2.968 6.079 1.00 0.00 C ATOM 565 CG PHE A 41 -1.332 4.065 6.802 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.600 4.453 6.401 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.749 4.707 7.883 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.272 5.463 7.063 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.416 5.717 8.550 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.680 6.094 8.140 1.00 0.00 C ATOM 0 H PHE A 41 -1.481 1.955 3.588 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.102 4.386 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.212 2.064 6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.320 2.742 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.069 3.961 5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.238 4.414 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.259 5.759 6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.950 6.210 9.390 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.205 6.881 8.661 1.00 0.00 H new ATOM 580 N LEU A 42 2.152 3.185 4.532 1.00 0.00 N ATOM 581 CA LEU A 42 3.444 2.602 4.186 1.00 0.00 C ATOM 582 C LEU A 42 4.482 2.901 5.263 1.00 0.00 C ATOM 583 O LEU A 42 4.854 4.053 5.479 1.00 0.00 O ATOM 584 CB LEU A 42 3.924 3.140 2.837 1.00 0.00 C ATOM 585 CG LEU A 42 5.407 2.940 2.524 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.713 1.467 2.301 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.811 3.760 1.307 1.00 0.00 C ATOM 0 H LEU A 42 2.210 4.069 5.037 1.00 0.00 H new ATOM 0 HA LEU A 42 3.320 1.521 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.340 2.664 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.705 4.207 2.795 1.00 0.00 H new ATOM 0 HG LEU A 42 5.988 3.285 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.773 1.345 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.463 0.903 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.122 1.095 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.870 3.605 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.222 3.446 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.631 4.817 1.504 1.00 0.00 H new ATOM 599 N ASN A 43 4.948 1.853 5.936 1.00 0.00 N ATOM 600 CA ASN A 43 5.944 2.003 6.990 1.00 0.00 C ATOM 601 C ASN A 43 5.383 2.805 8.159 1.00 0.00 C ATOM 602 O ASN A 43 6.121 3.487 8.869 1.00 0.00 O ATOM 603 CB ASN A 43 7.198 2.688 6.441 1.00 0.00 C ATOM 604 CG ASN A 43 8.219 1.694 5.922 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.777 0.905 6.684 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.468 1.730 4.618 1.00 0.00 N ATOM 0 H ASN A 43 4.651 0.891 5.770 1.00 0.00 H new ATOM 0 HA ASN A 43 6.209 1.009 7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.915 3.367 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.651 3.294 7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.146 1.086 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.981 2.401 4.024 1.00 0.00 H new ATOM 613 N GLY A 44 4.070 2.719 8.354 1.00 0.00 N ATOM 614 CA GLY A 44 3.432 3.441 9.438 1.00 0.00 C ATOM 615 C GLY A 44 2.823 4.752 8.983 1.00 0.00 C ATOM 616 O GLY A 44 1.863 5.238 9.579 1.00 0.00 O ATOM 0 H GLY A 44 3.437 2.162 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.655 2.816 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.165 3.637 10.221 1.00 0.00 H new ATOM 620 N GLU A 45 3.385 5.328 7.924 1.00 0.00 N ATOM 621 CA GLU A 45 2.893 6.592 7.391 1.00 0.00 C ATOM 622 C GLU A 45 1.698 6.366 6.469 1.00 0.00 C ATOM 623 O GLU A 45 1.340 5.227 6.170 1.00 0.00 O ATOM 624 CB GLU A 45 4.005 7.319 6.633 1.00 0.00 C ATOM 625 CG GLU A 45 3.978 7.077 5.133 1.00 0.00 C ATOM 626 CD GLU A 45 5.098 7.796 4.406 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.232 7.274 4.396 1.00 0.00 O ATOM 628 OE2 GLU A 45 4.839 8.882 3.845 1.00 0.00 O ATOM 0 H GLU A 45 4.181 4.939 7.419 1.00 0.00 H new ATOM 0 HA GLU A 45 2.571 7.209 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.922 8.389 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.970 7.000 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.053 6.007 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.019 7.407 4.733 1.00 0.00 H new ATOM 635 N GLU A 46 1.085 7.459 6.025 1.00 0.00 N ATOM 636 CA GLU A 46 -0.070 7.379 5.139 1.00 0.00 C ATOM 637 C GLU A 46 0.283 7.874 3.739 1.00 0.00 C ATOM 638 O GLU A 46 1.002 8.861 3.580 1.00 0.00 O ATOM 639 CB GLU A 46 -1.232 8.200 5.704 1.00 0.00 C ATOM 640 CG GLU A 46 -2.389 8.364 4.734 1.00 0.00 C ATOM 641 CD GLU A 46 -2.252 9.599 3.865 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.116 10.096 3.715 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.281 10.069 3.335 1.00 0.00 O ATOM 0 H GLU A 46 1.369 8.409 6.264 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.372 6.334 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.596 7.721 6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.865 9.186 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.452 7.482 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.322 8.420 5.294 1.00 0.00 H new ATOM 650 N LEU A 47 -0.228 7.181 2.727 1.00 0.00 N ATOM 651 CA LEU A 47 0.032 7.548 1.340 1.00 0.00 C ATOM 652 C LEU A 47 -1.126 8.357 0.764 1.00 0.00 C ATOM 653 O LEU A 47 -2.274 8.202 1.180 1.00 0.00 O ATOM 654 CB LEU A 47 0.263 6.295 0.494 1.00 0.00 C ATOM 655 CG LEU A 47 1.435 5.407 0.917 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.256 3.996 0.378 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.752 6.000 0.439 1.00 0.00 C ATOM 0 H LEU A 47 -0.825 6.362 2.841 1.00 0.00 H new ATOM 0 HA LEU A 47 0.930 8.165 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.647 5.695 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.421 6.603 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 47 1.456 5.358 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.099 3.378 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.331 3.572 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.209 4.026 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.575 5.356 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.742 6.079 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.884 6.991 0.874 1.00 0.00 H new ATOM 910 N ARG A 64 1.005 1.802 -7.405 1.00 0.00 N ATOM 911 CA ARG A 64 -0.280 1.791 -8.094 1.00 0.00 C ATOM 912 C ARG A 64 -1.426 1.599 -7.105 1.00 0.00 C ATOM 913 O ARG A 64 -1.578 0.527 -6.517 1.00 0.00 O ATOM 914 CB ARG A 64 -0.309 0.681 -9.147 1.00 0.00 C ATOM 915 CG ARG A 64 -1.680 0.464 -9.765 1.00 0.00 C ATOM 916 CD ARG A 64 -1.600 -0.412 -11.006 1.00 0.00 C ATOM 917 NE ARG A 64 -0.941 0.272 -12.115 1.00 0.00 N ATOM 918 CZ ARG A 64 0.367 0.213 -12.342 1.00 0.00 C ATOM 919 NH1 ARG A 64 1.151 -0.494 -11.540 1.00 0.00 N ATOM 920 NH2 ARG A 64 0.892 0.863 -13.373 1.00 0.00 N ATOM 0 HA ARG A 64 -0.407 2.754 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.402 0.922 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.026 -0.250 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.341 -0.000 -9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.119 1.427 -10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.057 -1.327 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.605 -0.707 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.516 0.825 -12.750 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.750 -0.994 -10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.155 -0.538 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.291 1.408 -13.992 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.896 0.817 -13.547 1.00 0.00 H new ATOM 934 N ILE A 65 -2.227 2.643 -6.926 1.00 0.00 N ATOM 935 CA ILE A 65 -3.359 2.588 -6.008 1.00 0.00 C ATOM 936 C ILE A 65 -4.667 2.370 -6.761 1.00 0.00 C ATOM 937 O ILE A 65 -5.140 3.256 -7.473 1.00 0.00 O ATOM 938 CB ILE A 65 -3.469 3.877 -5.173 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.223 4.056 -4.303 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.723 3.844 -4.311 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.136 5.414 -3.644 1.00 0.00 C ATOM 0 H ILE A 65 -2.114 3.537 -7.404 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.183 1.745 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.540 4.727 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.215 3.286 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.336 3.902 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.787 4.762 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.602 3.759 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.680 2.988 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.228 5.469 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.112 6.189 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.005 5.564 -3.003 1.00 0.00 H new ATOM 953 N GLU A 66 -5.247 1.185 -6.597 1.00 0.00 N ATOM 954 CA GLU A 66 -6.502 0.852 -7.261 1.00 0.00 C ATOM 955 C GLU A 66 -7.641 0.747 -6.251 1.00 0.00 C ATOM 956 O GLU A 66 -7.718 -0.214 -5.486 1.00 0.00 O ATOM 957 CB GLU A 66 -6.364 -0.464 -8.030 1.00 0.00 C ATOM 958 CG GLU A 66 -5.365 -0.400 -9.173 1.00 0.00 C ATOM 959 CD GLU A 66 -5.975 0.144 -10.450 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.999 -0.411 -10.901 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.430 1.124 -10.998 1.00 0.00 O ATOM 0 H GLU A 66 -4.869 0.441 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.735 1.652 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.061 -1.249 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.339 -0.747 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.523 0.228 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.968 -1.398 -9.360 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.536 -2.275 -2.683 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.969 -3.103 -1.624 1.00 0.00 C ATOM 1016 C LEU A 70 -13.759 -3.882 -2.131 1.00 0.00 C ATOM 1017 O LEU A 70 -13.583 -5.055 -1.802 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.025 -4.071 -1.086 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.092 -4.522 -2.084 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.543 -5.942 -1.777 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.277 -3.568 -2.065 1.00 0.00 C ATOM 0 HA LEU A 70 -14.643 -2.446 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.517 -4.956 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.524 -3.599 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.657 -4.509 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.302 -6.246 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.690 -6.617 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.961 -5.982 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.027 -3.904 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.713 -3.549 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.942 -2.566 -2.334 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.929 -3.221 -2.930 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.735 -3.852 -3.481 1.00 0.00 C ATOM 1035 C GLN A 71 -10.579 -2.860 -3.552 1.00 0.00 C ATOM 1036 O GLN A 71 -10.552 -1.984 -4.416 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.026 -4.416 -4.873 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.124 -5.576 -5.260 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.501 -6.189 -6.594 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.216 -5.626 -7.652 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -12.148 -7.348 -6.552 1.00 0.00 N ATOM 0 H GLN A 71 -13.061 -2.249 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.448 -4.669 -2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.064 -4.745 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.916 -3.620 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.091 -5.230 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.172 -6.342 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.364 -7.779 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.429 -7.807 -7.419 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.625 -3.004 -2.638 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.465 -2.121 -2.597 1.00 0.00 C ATOM 1052 C HIS A 72 -7.195 -2.873 -2.983 1.00 0.00 C ATOM 1053 O HIS A 72 -7.068 -4.070 -2.724 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.308 -1.514 -1.202 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.443 -0.621 -0.806 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.280 0.714 -0.501 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.765 -0.878 -0.669 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.451 1.239 -0.191 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.370 0.294 -0.285 1.00 0.00 N ATOM 0 H HIS A 72 -9.632 -3.724 -1.916 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.625 -1.319 -3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.218 -2.319 -0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.379 -0.945 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.253 -1.828 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.628 2.266 0.091 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.366 0.415 -0.102 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.259 -2.164 -3.605 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.000 -2.765 -4.029 1.00 0.00 C ATOM 1069 C ARG A 73 -3.899 -1.713 -4.121 1.00 0.00 C ATOM 1070 O ARG A 73 -4.137 -0.586 -4.559 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.171 -3.459 -5.381 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.924 -4.186 -5.855 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.214 -5.061 -7.064 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.876 -6.309 -6.691 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.437 -7.134 -7.568 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.416 -6.845 -8.862 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -6.020 -8.250 -7.151 1.00 0.00 N ATOM 0 H ARG A 73 -6.349 -1.172 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.710 -3.505 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.993 -4.172 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.454 -2.717 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.152 -3.459 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.530 -4.801 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.843 -4.513 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.281 -5.286 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.909 -6.561 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.968 -5.988 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.847 -7.480 -9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.038 -8.475 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.451 -8.883 -7.825 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.694 -2.087 -3.706 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.555 -1.176 -3.741 1.00 0.00 C ATOM 1093 C LEU A 74 -0.274 -1.919 -4.108 1.00 0.00 C ATOM 1094 O LEU A 74 0.271 -2.671 -3.300 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.388 -0.485 -2.387 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.106 0.329 -2.202 1.00 0.00 C ATOM 1097 CD1 LEU A 74 0.000 1.407 -3.271 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.063 0.948 -0.813 1.00 0.00 C ATOM 0 H LEU A 74 -2.480 -3.015 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.747 -0.423 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.240 0.177 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.428 -1.245 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 74 0.746 -0.343 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.918 1.976 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.015 0.942 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.857 2.076 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.856 1.523 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.922 1.606 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.092 0.159 -0.062 1.00 0.00 H new ATOM 1110 N ILE A 75 0.201 -1.700 -5.329 1.00 0.00 N ATOM 1111 CA ILE A 75 1.420 -2.347 -5.800 1.00 0.00 C ATOM 1112 C ILE A 75 2.623 -1.420 -5.662 1.00 0.00 C ATOM 1113 O ILE A 75 2.634 -0.314 -6.203 1.00 0.00 O ATOM 1114 CB ILE A 75 1.291 -2.786 -7.271 1.00 0.00 C ATOM 1115 CG1 ILE A 75 0.046 -3.655 -7.460 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.539 -3.536 -7.711 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.192 -2.866 -7.824 1.00 0.00 C ATOM 0 H ILE A 75 -0.239 -1.080 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 75 1.570 -3.229 -5.177 1.00 0.00 H new ATOM 0 HB ILE A 75 1.187 -1.896 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.241 -4.390 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.143 -4.209 -6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.433 -3.840 -8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.409 -2.887 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.671 -4.420 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.035 -3.546 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.412 -2.149 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.022 -2.333 -8.759 1.00 0.00 H new ATOM 1129 N LEU A 76 3.635 -1.879 -4.934 1.00 0.00 N ATOM 1130 CA LEU A 76 4.846 -1.092 -4.725 1.00 0.00 C ATOM 1131 C LEU A 76 6.001 -1.638 -5.559 1.00 0.00 C ATOM 1132 O LEU A 76 6.671 -2.591 -5.160 1.00 0.00 O ATOM 1133 CB LEU A 76 5.227 -1.090 -3.244 1.00 0.00 C ATOM 1134 CG LEU A 76 4.124 -0.679 -2.267 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.401 -1.242 -0.882 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.997 0.836 -2.214 1.00 0.00 C ATOM 0 H LEU A 76 3.641 -2.792 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 76 4.645 -0.069 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.568 -2.090 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.074 -0.417 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 76 3.179 -1.091 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.606 -0.939 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.441 -2.330 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.355 -0.861 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.208 1.111 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.941 1.269 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.751 1.215 -3.206 1.00 0.00 H new ATOM 1148 N HIS A 77 6.229 -1.026 -6.717 1.00 0.00 N ATOM 1149 CA HIS A 77 7.305 -1.449 -7.605 1.00 0.00 C ATOM 1150 C HIS A 77 8.630 -0.812 -7.196 1.00 0.00 C ATOM 1151 O HIS A 77 8.664 0.327 -6.731 1.00 0.00 O ATOM 1152 CB HIS A 77 6.975 -1.081 -9.052 1.00 0.00 C ATOM 1153 CG HIS A 77 5.520 -1.211 -9.386 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.461 -0.440 -9.045 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 5.014 -2.234 -10.160 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.346 -1.005 -9.614 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.707 -2.086 -10.281 1.00 0.00 N flip ATOM 0 H HIS A 77 5.683 -0.236 -7.062 1.00 0.00 H new ATOM 0 HA HIS A 77 7.403 -2.532 -7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.292 -0.055 -9.239 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.552 -1.720 -9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.595 -3.031 -10.599 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.338 -0.627 -9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.083 -2.702 -10.801 1.00 0.00 H new ATOM 1166 N ALA A 78 9.717 -1.555 -7.372 1.00 0.00 N ATOM 1167 CA ALA A 78 11.044 -1.062 -7.022 1.00 0.00 C ATOM 1168 C ALA A 78 11.251 -1.070 -5.511 1.00 0.00 C ATOM 1169 O ALA A 78 11.585 -0.046 -4.915 1.00 0.00 O ATOM 1170 CB ALA A 78 11.250 0.339 -7.578 1.00 0.00 C ATOM 0 H ALA A 78 9.705 -2.500 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 78 11.782 -1.729 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.245 0.695 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.153 0.317 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.500 1.010 -7.160 1.00 0.00 H new ATOM 1176 N VAL A 79 11.051 -2.231 -4.896 1.00 0.00 N ATOM 1177 CA VAL A 79 11.216 -2.372 -3.455 1.00 0.00 C ATOM 1178 C VAL A 79 12.643 -2.779 -3.102 1.00 0.00 C ATOM 1179 O VAL A 79 13.052 -3.917 -3.337 1.00 0.00 O ATOM 1180 CB VAL A 79 10.239 -3.413 -2.876 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.801 -2.957 -3.064 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.465 -4.771 -3.522 1.00 0.00 C ATOM 0 H VAL A 79 10.774 -3.088 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 79 10.999 -1.398 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 79 10.428 -3.509 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.125 -3.705 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.650 -2.007 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.595 -2.832 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.767 -5.495 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.304 -4.694 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.487 -5.099 -3.331 1.00 0.00 H new ATOM 1192 N LYS A 80 13.397 -1.843 -2.537 1.00 0.00 N ATOM 1193 CA LYS A 80 14.778 -2.103 -2.149 1.00 0.00 C ATOM 1194 C LYS A 80 14.853 -2.618 -0.715 1.00 0.00 C ATOM 1195 O LYS A 80 13.943 -2.395 0.084 1.00 0.00 O ATOM 1196 CB LYS A 80 15.617 -0.831 -2.290 1.00 0.00 C ATOM 1197 CG LYS A 80 15.374 0.183 -1.186 1.00 0.00 C ATOM 1198 CD LYS A 80 14.355 1.229 -1.604 1.00 0.00 C ATOM 1199 CE LYS A 80 15.025 2.440 -2.235 1.00 0.00 C ATOM 1200 NZ LYS A 80 14.103 3.606 -2.315 1.00 0.00 N ATOM 0 H LYS A 80 13.075 -0.896 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 80 15.177 -2.870 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.673 -1.101 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.400 -0.367 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.024 -0.330 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.313 0.672 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.652 0.791 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.777 1.543 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.905 2.712 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.372 2.182 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.598 4.410 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.275 3.355 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.791 3.868 -1.358 1.00 0.00 H new ATOM 1214 N HIS A 81 15.944 -3.306 -0.395 1.00 0.00 N ATOM 1215 CA HIS A 81 16.139 -3.851 0.944 1.00 0.00 C ATOM 1216 C HIS A 81 16.162 -2.737 1.986 1.00 0.00 C ATOM 1217 O HIS A 81 15.797 -2.948 3.142 1.00 0.00 O ATOM 1218 CB HIS A 81 17.440 -4.652 1.008 1.00 0.00 C ATOM 1219 CG HIS A 81 18.544 -4.067 0.183 1.00 0.00 C ATOM 1220 ND1 HIS A 81 18.664 -4.280 -1.174 1.00 0.00 N ATOM 1221 CD2 HIS A 81 19.582 -3.269 0.530 1.00 0.00 C ATOM 1222 CE1 HIS A 81 19.728 -3.642 -1.626 1.00 0.00 C ATOM 1223 NE2 HIS A 81 20.303 -3.020 -0.612 1.00 0.00 N ATOM 0 H HIS A 81 16.707 -3.499 -1.044 1.00 0.00 H new ATOM 0 HA HIS A 81 15.302 -4.514 1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.767 -4.715 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.247 -5.671 0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.802 -2.898 1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 81 20.070 -3.631 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 81 21.146 -2.448 -0.668 1.00 0.00 H new ATOM 1232 N GLN A 82 16.594 -1.551 1.568 1.00 0.00 N ATOM 1233 CA GLN A 82 16.666 -0.405 2.466 1.00 0.00 C ATOM 1234 C GLN A 82 15.357 -0.228 3.229 1.00 0.00 C ATOM 1235 O GLN A 82 15.352 -0.114 4.455 1.00 0.00 O ATOM 1236 CB GLN A 82 16.988 0.867 1.679 1.00 0.00 C ATOM 1237 CG GLN A 82 18.224 0.744 0.804 1.00 0.00 C ATOM 1238 CD GLN A 82 19.482 1.224 1.501 1.00 0.00 C ATOM 1239 OE1 GLN A 82 19.881 2.380 1.361 1.00 0.00 O ATOM 1240 NE2 GLN A 82 20.116 0.335 2.257 1.00 0.00 N ATOM 0 H GLN A 82 16.899 -1.359 0.614 1.00 0.00 H new ATOM 0 HA GLN A 82 17.463 -0.589 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.133 1.123 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.129 1.691 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.352 -0.297 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.077 1.320 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.750 -0.613 2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.969 0.600 2.750 1.00 0.00 H new ATOM 1249 N ASP A 83 14.250 -0.204 2.495 1.00 0.00 N ATOM 1250 CA ASP A 83 12.934 -0.041 3.102 1.00 0.00 C ATOM 1251 C ASP A 83 12.349 -1.393 3.502 1.00 0.00 C ATOM 1252 O ASP A 83 11.132 -1.547 3.605 1.00 0.00 O ATOM 1253 CB ASP A 83 11.987 0.672 2.136 1.00 0.00 C ATOM 1254 CG ASP A 83 12.488 2.049 1.746 1.00 0.00 C ATOM 1255 OD1 ASP A 83 13.705 2.192 1.505 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.662 2.984 1.682 1.00 0.00 O ATOM 0 H ASP A 83 14.238 -0.295 1.479 1.00 0.00 H new ATOM 0 HA ASP A 83 13.048 0.566 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.864 0.066 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.003 0.763 2.597 1.00 0.00 H new ATOM 1261 N SER A 84 13.224 -2.368 3.724 1.00 0.00 N ATOM 1262 CA SER A 84 12.794 -3.708 4.107 1.00 0.00 C ATOM 1263 C SER A 84 11.868 -3.655 5.319 1.00 0.00 C ATOM 1264 O SER A 84 12.128 -2.934 6.282 1.00 0.00 O ATOM 1265 CB SER A 84 14.007 -4.587 4.415 1.00 0.00 C ATOM 1266 OG SER A 84 13.607 -5.850 4.918 1.00 0.00 O ATOM 0 H SER A 84 14.235 -2.256 3.645 1.00 0.00 H new ATOM 0 HA SER A 84 12.245 -4.140 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.600 -4.723 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.646 -4.088 5.143 1.00 0.00 H new ATOM 0 HG SER A 84 14.401 -6.394 5.105 1.00 0.00 H new ATOM 1272 N GLY A 85 10.787 -4.426 5.264 1.00 0.00 N ATOM 1273 CA GLY A 85 9.838 -4.454 6.362 1.00 0.00 C ATOM 1274 C GLY A 85 8.835 -3.320 6.290 1.00 0.00 C ATOM 1275 O GLY A 85 8.392 -2.808 7.318 1.00 0.00 O ATOM 0 H GLY A 85 10.551 -5.032 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.307 -5.406 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.378 -4.398 7.307 1.00 0.00 H new ATOM 1279 N ALA A 86 8.477 -2.925 5.073 1.00 0.00 N ATOM 1280 CA ALA A 86 7.520 -1.844 4.871 1.00 0.00 C ATOM 1281 C ALA A 86 6.122 -2.258 5.319 1.00 0.00 C ATOM 1282 O ALA A 86 5.572 -3.248 4.835 1.00 0.00 O ATOM 1283 CB ALA A 86 7.504 -1.419 3.410 1.00 0.00 C ATOM 0 H ALA A 86 8.835 -3.337 4.212 1.00 0.00 H new ATOM 0 HA ALA A 86 7.833 -0.996 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.785 -0.611 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.497 -1.074 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.219 -2.267 2.787 1.00 0.00 H new ATOM 1289 N LEU A 87 5.553 -1.495 6.245 1.00 0.00 N ATOM 1290 CA LEU A 87 4.218 -1.783 6.760 1.00 0.00 C ATOM 1291 C LEU A 87 3.145 -1.298 5.790 1.00 0.00 C ATOM 1292 O LEU A 87 2.744 -0.135 5.822 1.00 0.00 O ATOM 1293 CB LEU A 87 4.023 -1.123 8.126 1.00 0.00 C ATOM 1294 CG LEU A 87 3.077 -1.841 9.089 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.742 -2.121 8.417 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.706 -3.134 9.589 1.00 0.00 C ATOM 0 H LEU A 87 5.995 -0.672 6.655 1.00 0.00 H new ATOM 0 HA LEU A 87 4.122 -2.863 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.998 -1.032 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.650 -0.111 7.968 1.00 0.00 H new ATOM 0 HG LEU A 87 2.900 -1.191 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.082 -2.632 9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.285 -1.180 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.900 -2.751 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.019 -3.632 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.913 -3.789 8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.637 -2.908 10.110 1.00 0.00 H new ATOM 1308 N VAL A 88 2.682 -2.199 4.929 1.00 0.00 N ATOM 1309 CA VAL A 88 1.652 -1.865 3.953 1.00 0.00 C ATOM 1310 C VAL A 88 0.263 -2.206 4.480 1.00 0.00 C ATOM 1311 O VAL A 88 -0.136 -3.369 4.502 1.00 0.00 O ATOM 1312 CB VAL A 88 1.880 -2.606 2.622 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.847 -2.179 1.590 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.291 -2.359 2.109 1.00 0.00 C ATOM 0 H VAL A 88 3.004 -3.166 4.888 1.00 0.00 H new ATOM 0 HA VAL A 88 1.717 -0.791 3.779 1.00 0.00 H new ATOM 0 HB VAL A 88 1.764 -3.676 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.024 -2.713 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.152 -2.412 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.929 -1.106 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.434 -2.890 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.438 -1.291 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.013 -2.719 2.842 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.471 -1.181 4.905 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.808 -1.392 5.427 1.00 0.00 C ATOM 1326 C GLY A 89 -2.798 -0.362 4.920 1.00 0.00 C ATOM 1327 O GLY A 89 -2.415 0.750 4.555 1.00 0.00 O ATOM 0 H GLY A 89 -0.163 -0.209 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.150 -2.389 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.779 -1.358 6.516 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.074 -0.732 4.895 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.121 0.168 4.426 1.00 0.00 C ATOM 1333 C PHE A 90 -6.105 0.489 5.547 1.00 0.00 C ATOM 1334 O PHE A 90 -6.924 -0.348 5.928 1.00 0.00 O ATOM 1335 CB PHE A 90 -5.865 -0.454 3.242 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.274 0.044 3.091 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -8.322 -0.595 3.735 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -7.552 1.151 2.305 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.619 -0.139 3.599 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -8.847 1.611 2.165 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.882 0.965 2.812 1.00 0.00 C ATOM 0 H PHE A 90 -4.408 -1.648 5.194 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.650 1.096 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.314 -0.244 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.882 -1.537 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.122 -1.460 4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.747 1.660 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.426 -0.645 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.050 2.475 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.895 1.322 2.703 1.00 0.00 H new ATOM 1351 N SER A 91 -6.018 1.707 6.073 1.00 0.00 N ATOM 1352 CA SER A 91 -6.896 2.138 7.154 1.00 0.00 C ATOM 1353 C SER A 91 -8.166 2.776 6.600 1.00 0.00 C ATOM 1354 O SER A 91 -8.110 3.623 5.707 1.00 0.00 O ATOM 1355 CB SER A 91 -6.170 3.129 8.065 1.00 0.00 C ATOM 1356 OG SER A 91 -5.862 4.327 7.374 1.00 0.00 O ATOM 0 H SER A 91 -5.348 2.413 5.768 1.00 0.00 H new ATOM 0 HA SER A 91 -7.175 1.259 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.792 3.355 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.253 2.677 8.441 1.00 0.00 H new ATOM 0 HG SER A 91 -4.958 4.620 7.613 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.310 2.364 7.135 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.595 2.895 6.695 1.00 0.00 C ATOM 1364 C CYS A 92 -11.586 2.951 7.853 1.00 0.00 C ATOM 1365 O CYS A 92 -11.449 2.248 8.854 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.164 2.037 5.563 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.294 0.739 6.117 1.00 0.00 S ATOM 0 H CYS A 92 -9.374 1.664 7.874 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.435 3.909 6.328 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.688 2.684 4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.338 1.577 5.020 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.723 0.069 5.089 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.608 3.809 7.717 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.641 3.979 8.743 1.00 0.00 C ATOM 1375 C PRO A 93 -14.551 2.761 8.857 1.00 0.00 C ATOM 1376 O PRO A 93 -15.668 2.759 8.342 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.432 5.194 8.251 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.221 5.212 6.777 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.833 4.679 6.550 1.00 0.00 C ATOM 0 HA PRO A 93 -13.212 4.106 9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.490 5.104 8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.073 6.114 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.963 4.596 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.320 6.223 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.764 4.123 5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.097 5.482 6.499 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.065 1.726 9.535 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.848 0.516 9.705 1.00 0.00 C ATOM 1389 C GLY A 94 -13.995 -0.736 9.670 1.00 0.00 C ATOM 1390 O GLY A 94 -14.418 -1.797 10.129 1.00 0.00 O ATOM 0 H GLY A 94 -13.143 1.704 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.381 0.562 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.601 0.461 8.919 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.790 -0.615 9.123 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.875 -1.746 9.029 1.00 0.00 C ATOM 1396 C VAL A 95 -10.436 -1.312 9.283 1.00 0.00 C ATOM 1397 O VAL A 95 -10.047 -0.194 8.946 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.960 -2.423 7.648 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.877 -3.482 7.505 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.339 -3.027 7.435 1.00 0.00 C ATOM 0 H VAL A 95 -12.424 0.256 8.738 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.176 -2.461 9.795 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.798 -1.666 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.953 -3.950 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.897 -3.017 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.004 -4.239 8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.381 -3.501 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.533 -3.772 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.093 -2.242 7.491 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.651 -2.204 9.878 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.254 -1.912 10.177 1.00 0.00 C ATOM 1412 C GLN A 96 -7.391 -3.159 10.016 1.00 0.00 C ATOM 1413 O GLN A 96 -7.435 -4.068 10.845 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.119 -1.363 11.599 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.718 -0.875 11.932 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.521 0.594 11.612 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -6.289 0.965 10.462 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -6.613 1.439 12.632 1.00 0.00 N ATOM 0 H GLN A 96 -9.958 -3.134 10.162 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.907 -1.159 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.822 -0.541 11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.402 -2.141 12.308 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.521 -1.042 12.991 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.990 -1.465 11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.807 1.087 13.570 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.490 2.440 12.478 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.607 -3.195 8.945 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.732 -4.330 8.675 1.00 0.00 C ATOM 1429 C ASP A 97 -4.497 -3.892 7.894 1.00 0.00 C ATOM 1430 O ASP A 97 -4.523 -2.885 7.187 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.487 -5.409 7.896 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.967 -6.803 8.187 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -4.744 -6.949 8.394 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.783 -7.749 8.206 1.00 0.00 O ATOM 0 H ASP A 97 -6.559 -2.451 8.249 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.408 -4.742 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.547 -5.360 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.403 -5.208 6.828 1.00 0.00 H new ATOM 1439 N SER A 98 -3.417 -4.654 8.028 1.00 0.00 N ATOM 1440 CA SER A 98 -2.170 -4.342 7.339 1.00 0.00 C ATOM 1441 C SER A 98 -1.320 -5.596 7.159 1.00 0.00 C ATOM 1442 O SER A 98 -1.642 -6.659 7.688 1.00 0.00 O ATOM 1443 CB SER A 98 -1.383 -3.286 8.118 1.00 0.00 C ATOM 1444 OG SER A 98 -0.944 -3.795 9.366 1.00 0.00 O ATOM 0 H SER A 98 -3.380 -5.492 8.608 1.00 0.00 H new ATOM 0 HA SER A 98 -2.417 -3.947 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.523 -2.962 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.008 -2.408 8.279 1.00 0.00 H new ATOM 0 HG SER A 98 -0.133 -4.329 9.234 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.233 -5.463 6.406 1.00 0.00 N ATOM 1451 CA ALA A 99 0.665 -6.583 6.156 1.00 0.00 C ATOM 1452 C ALA A 99 2.122 -6.167 6.326 1.00 0.00 C ATOM 1453 O ALA A 99 2.416 -5.016 6.649 1.00 0.00 O ATOM 1454 CB ALA A 99 0.434 -7.144 4.761 1.00 0.00 C ATOM 0 H ALA A 99 0.047 -4.590 5.958 1.00 0.00 H new ATOM 0 HA ALA A 99 0.448 -7.360 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.112 -7.980 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.597 -7.488 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.621 -6.366 4.021 1.00 0.00 H new ATOM 1460 N ALA A 100 3.032 -7.112 6.108 1.00 0.00 N ATOM 1461 CA ALA A 100 4.459 -6.842 6.236 1.00 0.00 C ATOM 1462 C ALA A 100 5.194 -7.149 4.936 1.00 0.00 C ATOM 1463 O ALA A 100 5.112 -8.260 4.411 1.00 0.00 O ATOM 1464 CB ALA A 100 5.048 -7.652 7.381 1.00 0.00 C ATOM 0 H ALA A 100 2.806 -8.070 5.842 1.00 0.00 H new ATOM 0 HA ALA A 100 4.585 -5.781 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.114 -7.441 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.550 -7.382 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.903 -8.715 7.187 1.00 0.00 H new ATOM 1470 N LEU A 101 5.911 -6.157 4.419 1.00 0.00 N ATOM 1471 CA LEU A 101 6.661 -6.320 3.179 1.00 0.00 C ATOM 1472 C LEU A 101 8.122 -6.654 3.465 1.00 0.00 C ATOM 1473 O LEU A 101 8.810 -5.921 4.176 1.00 0.00 O ATOM 1474 CB LEU A 101 6.573 -5.048 2.335 1.00 0.00 C ATOM 1475 CG LEU A 101 7.603 -4.914 1.213 1.00 0.00 C ATOM 1476 CD1 LEU A 101 7.238 -5.814 0.043 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.712 -3.465 0.759 1.00 0.00 C ATOM 0 H LEU A 101 5.989 -5.231 4.840 1.00 0.00 H new ATOM 0 HA LEU A 101 6.220 -7.148 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.577 -4.996 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.674 -4.189 2.998 1.00 0.00 H new ATOM 0 HG LEU A 101 8.573 -5.228 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.982 -5.705 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.212 -6.851 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.258 -5.531 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.450 -3.389 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.744 -3.125 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.021 -2.843 1.599 1.00 0.00 H new ATOM 1489 N THR A 102 8.590 -7.765 2.906 1.00 0.00 N ATOM 1490 CA THR A 102 9.969 -8.196 3.100 1.00 0.00 C ATOM 1491 C THR A 102 10.769 -8.080 1.807 1.00 0.00 C ATOM 1492 O THR A 102 10.329 -8.538 0.752 1.00 0.00 O ATOM 1493 CB THR A 102 10.038 -9.650 3.604 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.376 -9.762 4.869 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.482 -10.108 3.740 1.00 0.00 C ATOM 0 H THR A 102 8.034 -8.383 2.315 1.00 0.00 H new ATOM 0 HA THR A 102 10.402 -7.537 3.853 1.00 0.00 H new ATOM 0 HB THR A 102 9.538 -10.288 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.423 -10.690 5.182 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.505 -11.138 4.097 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.975 -10.050 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.002 -9.466 4.451 1.00 0.00 H new ATOM 1503 N ILE A 103 11.944 -7.466 1.897 1.00 0.00 N ATOM 1504 CA ILE A 103 12.805 -7.292 0.734 1.00 0.00 C ATOM 1505 C ILE A 103 14.167 -7.940 0.957 1.00 0.00 C ATOM 1506 O ILE A 103 14.891 -7.580 1.885 1.00 0.00 O ATOM 1507 CB ILE A 103 13.005 -5.803 0.399 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.654 -5.126 0.156 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.907 -5.649 -0.816 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.634 -3.662 0.539 1.00 0.00 C ATOM 0 H ILE A 103 12.321 -7.081 2.763 1.00 0.00 H new ATOM 0 HA ILE A 103 12.306 -7.780 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 103 13.486 -5.317 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.393 -5.221 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.886 -5.652 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 103 14.038 -4.590 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.878 -6.099 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.452 -6.147 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.646 -3.247 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.863 -3.560 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.379 -3.123 -0.046 1.00 0.00 H new ATOM 1522 N GLN A 104 14.511 -8.894 0.098 1.00 0.00 N ATOM 1523 CA GLN A 104 15.787 -9.591 0.202 1.00 0.00 C ATOM 1524 C GLN A 104 16.810 -8.999 -0.763 1.00 0.00 C ATOM 1525 O GLN A 104 16.473 -8.621 -1.884 1.00 0.00 O ATOM 1526 CB GLN A 104 15.603 -11.082 -0.084 1.00 0.00 C ATOM 1527 CG GLN A 104 14.638 -11.769 0.868 1.00 0.00 C ATOM 1528 CD GLN A 104 15.300 -12.200 2.162 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.446 -12.651 2.166 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.582 -12.061 3.270 1.00 0.00 N ATOM 0 H GLN A 104 13.924 -9.202 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 104 16.158 -9.467 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.243 -11.206 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.572 -11.577 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.814 -11.093 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.208 -12.642 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.636 -11.683 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.976 -12.332 4.171 1.00 0.00 H new ATOM 1539 N GLU A 105 18.060 -8.920 -0.317 1.00 0.00 N ATOM 1540 CA GLU A 105 19.131 -8.372 -1.142 1.00 0.00 C ATOM 1541 C GLU A 105 19.391 -9.259 -2.356 1.00 0.00 C ATOM 1542 O GLU A 105 19.400 -10.486 -2.251 1.00 0.00 O ATOM 1543 CB GLU A 105 20.413 -8.225 -0.320 1.00 0.00 C ATOM 1544 CG GLU A 105 20.254 -7.338 0.903 1.00 0.00 C ATOM 1545 CD GLU A 105 21.583 -6.955 1.524 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.199 -7.818 2.185 1.00 0.00 O ATOM 1547 OE2 GLU A 105 22.009 -5.794 1.349 1.00 0.00 O ATOM 0 H GLU A 105 18.356 -9.228 0.609 1.00 0.00 H new ATOM 0 HA GLU A 105 18.818 -7.389 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.745 -9.213 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.197 -7.815 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.714 -6.433 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.646 -7.855 1.645 1.00 0.00 H new