USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 150:sc= 0.913 USER MOD Set 1.2: A 38 SER OG : rot 90:sc= 0.917 USER MOD Single : A 12 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 173:sc= 0 (180deg=-0.0567) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.034 (180deg=-0.246) USER MOD Single : A 27 MET CE :methyl -111:sc= -0.0784 (180deg=-3.61!) USER MOD Single : A 29 ASN : amide:sc= -4.04! C(o=-4!,f=-4.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.03) USER MOD Single : A 52 HIS : no HE2:sc= 0.228 K(o=0.23,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -47:sc= 0.821 USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 0.176 (180deg=-0.328!) USER MOD Single : A 65 ASN : amide:sc= -2.22! C(o=-2.2!,f=-7.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.571 K(o=-0.57,f=-5.7!) USER MOD Single : A 77 CYS SG : rot 66:sc= 1.73 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 86 SER OG : rot -91:sc= 0.336 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 3.489 -6.600 7.612 1.00 74.45 N ATOM 80 CA PRO A 6 4.133 -7.411 8.663 1.00 64.24 C ATOM 81 C PRO A 6 3.141 -7.886 9.742 1.00 51.34 C ATOM 82 O PRO A 6 2.041 -7.341 9.884 1.00 2.10 O ATOM 83 CB PRO A 6 5.177 -6.455 9.271 1.00 74.32 C ATOM 84 CG PRO A 6 5.373 -5.390 8.242 1.00 65.43 C ATOM 85 CD PRO A 6 4.042 -5.235 7.561 1.00 3.50 C ATOM 0 HA PRO A 6 4.561 -8.327 8.256 1.00 64.24 H new ATOM 0 HB2 PRO A 6 4.825 -6.034 10.213 1.00 74.32 H new ATOM 0 HB3 PRO A 6 6.111 -6.975 9.484 1.00 74.32 H new ATOM 0 HG2 PRO A 6 5.689 -4.454 8.702 1.00 65.43 H new ATOM 0 HG3 PRO A 6 6.148 -5.672 7.529 1.00 65.43 H new ATOM 0 HD2 PRO A 6 3.403 -4.520 8.079 1.00 3.50 H new ATOM 0 HD3 PRO A 6 4.151 -4.881 6.536 1.00 3.50 H new ATOM 93 N ILE A 7 3.539 -8.890 10.518 1.00 45.14 N ATOM 94 CA ILE A 7 2.663 -9.459 11.545 1.00 74.03 C ATOM 95 C ILE A 7 2.626 -8.555 12.789 1.00 24.23 C ATOM 96 O ILE A 7 3.385 -8.742 13.734 1.00 31.51 O ATOM 97 CB ILE A 7 3.090 -10.905 11.951 1.00 14.41 C ATOM 98 CG1 ILE A 7 3.025 -11.874 10.747 1.00 34.40 C ATOM 99 CG2 ILE A 7 2.214 -11.425 13.093 1.00 52.21 C ATOM 100 CD1 ILE A 7 4.077 -11.633 9.680 1.00 43.32 C ATOM 0 H ILE A 7 4.459 -9.327 10.458 1.00 45.14 H new ATOM 0 HA ILE A 7 1.665 -9.518 11.112 1.00 74.03 H new ATOM 0 HB ILE A 7 4.124 -10.858 12.291 1.00 14.41 H new ATOM 0 HG12 ILE A 7 3.127 -12.895 11.114 1.00 34.40 H new ATOM 0 HG13 ILE A 7 2.039 -11.797 10.289 1.00 34.40 H new ATOM 0 HG21 ILE A 7 2.527 -12.434 13.361 1.00 52.21 H new ATOM 0 HG22 ILE A 7 2.318 -10.770 13.958 1.00 52.21 H new ATOM 0 HG23 ILE A 7 1.172 -11.442 12.774 1.00 52.21 H new ATOM 0 HD11 ILE A 7 3.953 -12.359 8.877 1.00 43.32 H new ATOM 0 HD12 ILE A 7 3.965 -10.626 9.279 1.00 43.32 H new ATOM 0 HD13 ILE A 7 5.070 -11.741 10.117 1.00 43.32 H new ATOM 112 N GLU A 8 1.763 -7.544 12.755 1.00 70.30 N ATOM 113 CA GLU A 8 1.606 -6.614 13.880 1.00 54.43 C ATOM 114 C GLU A 8 0.557 -7.142 14.878 1.00 72.34 C ATOM 115 O GLU A 8 -0.588 -7.410 14.504 1.00 21.35 O ATOM 116 CB GLU A 8 1.201 -5.224 13.342 1.00 4.24 C ATOM 117 CG GLU A 8 1.440 -4.057 14.307 1.00 53.25 C ATOM 118 CD GLU A 8 0.562 -4.099 15.550 1.00 72.30 C ATOM 119 OE1 GLU A 8 -0.608 -3.672 15.476 1.00 42.53 O ATOM 120 OE2 GLU A 8 1.034 -4.564 16.605 1.00 3.12 O ATOM 0 H GLU A 8 1.157 -7.343 11.959 1.00 70.30 H new ATOM 0 HA GLU A 8 2.555 -6.528 14.410 1.00 54.43 H new ATOM 0 HB2 GLU A 8 1.753 -5.033 12.422 1.00 4.24 H new ATOM 0 HB3 GLU A 8 0.143 -5.247 13.080 1.00 4.24 H new ATOM 0 HG2 GLU A 8 2.486 -4.058 14.612 1.00 53.25 H new ATOM 0 HG3 GLU A 8 1.263 -3.120 13.780 1.00 53.25 H new ATOM 127 N ILE A 9 0.959 -7.304 16.141 1.00 14.24 N ATOM 128 CA ILE A 9 0.054 -7.778 17.199 1.00 74.21 C ATOM 129 C ILE A 9 0.233 -6.974 18.506 1.00 72.03 C ATOM 130 O ILE A 9 1.301 -7.008 19.122 1.00 72.42 O ATOM 131 CB ILE A 9 0.281 -9.282 17.512 1.00 21.23 C ATOM 132 CG1 ILE A 9 0.097 -10.142 16.247 1.00 22.14 C ATOM 133 CG2 ILE A 9 -0.673 -9.745 18.613 1.00 23.32 C ATOM 134 CD1 ILE A 9 0.387 -11.614 16.458 1.00 4.51 C ATOM 0 H ILE A 9 1.909 -7.114 16.460 1.00 14.24 H new ATOM 0 HA ILE A 9 -0.958 -7.633 16.821 1.00 74.21 H new ATOM 0 HB ILE A 9 1.306 -9.406 17.860 1.00 21.23 H new ATOM 0 HG12 ILE A 9 -0.927 -10.031 15.890 1.00 22.14 H new ATOM 0 HG13 ILE A 9 0.751 -9.762 15.463 1.00 22.14 H new ATOM 0 HG21 ILE A 9 -0.502 -10.801 18.822 1.00 23.32 H new ATOM 0 HG22 ILE A 9 -0.495 -9.163 19.517 1.00 23.32 H new ATOM 0 HG23 ILE A 9 -1.703 -9.602 18.286 1.00 23.32 H new ATOM 0 HD11 ILE A 9 0.235 -12.152 15.523 1.00 4.51 H new ATOM 0 HD12 ILE A 9 1.419 -11.738 16.785 1.00 4.51 H new ATOM 0 HD13 ILE A 9 -0.285 -12.012 17.219 1.00 4.51 H new ATOM 146 N ALA A 10 -0.815 -6.247 18.912 1.00 32.11 N ATOM 147 CA ALA A 10 -0.846 -5.534 20.205 1.00 24.42 C ATOM 148 C ALA A 10 0.231 -4.438 20.320 1.00 50.13 C ATOM 149 O ALA A 10 0.705 -4.132 21.417 1.00 74.11 O ATOM 150 CB ALA A 10 -0.707 -6.535 21.350 1.00 4.21 C ATOM 0 H ALA A 10 -1.665 -6.134 18.359 1.00 32.11 H new ATOM 0 HA ALA A 10 -1.809 -5.027 20.266 1.00 24.42 H new ATOM 0 HB1 ALA A 10 -0.730 -6.005 22.302 1.00 4.21 H new ATOM 0 HB2 ALA A 10 -1.530 -7.248 21.312 1.00 4.21 H new ATOM 0 HB3 ALA A 10 0.239 -7.068 21.255 1.00 4.21 H new ATOM 156 N GLY A 11 0.596 -3.827 19.200 1.00 12.22 N ATOM 157 CA GLY A 11 1.653 -2.819 19.206 1.00 42.45 C ATOM 158 C GLY A 11 3.038 -3.441 19.069 1.00 25.41 C ATOM 159 O GLY A 11 4.044 -2.858 19.477 1.00 3.10 O ATOM 0 H GLY A 11 0.183 -4.007 18.285 1.00 12.22 H new ATOM 0 HA2 GLY A 11 1.489 -2.117 18.389 1.00 42.45 H new ATOM 0 HA3 GLY A 11 1.603 -2.247 20.132 1.00 42.45 H new ATOM 163 N HIS A 12 3.081 -4.645 18.505 1.00 52.52 N ATOM 164 CA HIS A 12 4.334 -5.372 18.288 1.00 44.11 C ATOM 165 C HIS A 12 4.432 -5.823 16.824 1.00 22.33 C ATOM 166 O HIS A 12 3.875 -6.853 16.440 1.00 3.11 O ATOM 167 CB HIS A 12 4.422 -6.593 19.221 1.00 61.02 C ATOM 168 CG HIS A 12 4.194 -6.268 20.668 1.00 11.13 C ATOM 169 ND1 HIS A 12 3.055 -6.248 21.402 1.00 71.24 N flip ATOM 170 CD2 HIS A 12 5.201 -5.914 21.537 1.00 21.12 C flip ATOM 171 CE1 HIS A 12 3.396 -5.884 22.679 1.00 52.25 C flip ATOM 172 NE2 HIS A 12 4.696 -5.689 22.732 1.00 72.04 N flip ATOM 0 H HIS A 12 2.252 -5.145 18.185 1.00 52.52 H new ATOM 0 HA HIS A 12 5.165 -4.704 18.514 1.00 44.11 H new ATOM 0 HB2 HIS A 12 3.688 -7.334 18.905 1.00 61.02 H new ATOM 0 HB3 HIS A 12 5.405 -7.052 19.112 1.00 61.02 H new ATOM 0 HD2 HIS A 12 6.246 -5.833 21.278 1.00 21.12 H new ATOM 0 HE1 HIS A 12 2.710 -5.775 23.506 1.00 52.25 H new ATOM 0 HE2 HIS A 12 5.224 -5.410 23.559 1.00 72.04 H new ATOM 181 N GLU A 13 5.120 -5.033 16.007 1.00 61.20 N ATOM 182 CA GLU A 13 5.225 -5.310 14.571 1.00 15.50 C ATOM 183 C GLU A 13 6.329 -6.336 14.268 1.00 73.25 C ATOM 184 O GLU A 13 7.523 -6.039 14.347 1.00 3.55 O ATOM 185 CB GLU A 13 5.466 -4.005 13.792 1.00 52.45 C ATOM 186 CG GLU A 13 6.681 -3.206 14.260 1.00 1.24 C ATOM 187 CD GLU A 13 6.895 -1.935 13.456 1.00 73.12 C ATOM 188 OE1 GLU A 13 7.338 -2.031 12.290 1.00 65.31 O ATOM 189 OE2 GLU A 13 6.628 -0.834 13.984 1.00 64.32 O ATOM 0 H GLU A 13 5.615 -4.194 16.311 1.00 61.20 H new ATOM 0 HA GLU A 13 4.280 -5.745 14.246 1.00 15.50 H new ATOM 0 HB2 GLU A 13 5.589 -4.244 12.736 1.00 52.45 H new ATOM 0 HB3 GLU A 13 4.579 -3.377 13.876 1.00 52.45 H new ATOM 0 HG2 GLU A 13 6.558 -2.949 15.312 1.00 1.24 H new ATOM 0 HG3 GLU A 13 7.571 -3.831 14.187 1.00 1.24 H new ATOM 196 N PHE A 14 5.919 -7.557 13.947 1.00 1.44 N ATOM 197 CA PHE A 14 6.859 -8.618 13.588 1.00 13.32 C ATOM 198 C PHE A 14 7.102 -8.640 12.073 1.00 21.22 C ATOM 199 O PHE A 14 6.187 -8.890 11.286 1.00 3.24 O ATOM 200 CB PHE A 14 6.337 -9.977 14.069 1.00 34.34 C ATOM 201 CG PHE A 14 6.097 -10.019 15.558 1.00 71.33 C ATOM 202 CD1 PHE A 14 7.162 -10.066 16.444 1.00 34.20 C ATOM 203 CD2 PHE A 14 4.806 -10.008 16.070 1.00 71.23 C ATOM 204 CE1 PHE A 14 6.946 -10.097 17.807 1.00 64.24 C ATOM 205 CE2 PHE A 14 4.586 -10.039 17.432 1.00 54.22 C ATOM 206 CZ PHE A 14 5.657 -10.086 18.302 1.00 45.25 C ATOM 0 H PHE A 14 4.939 -7.840 13.927 1.00 1.44 H new ATOM 0 HA PHE A 14 7.810 -8.416 14.081 1.00 13.32 H new ATOM 0 HB2 PHE A 14 5.407 -10.208 13.549 1.00 34.34 H new ATOM 0 HB3 PHE A 14 7.054 -10.752 13.799 1.00 34.34 H new ATOM 0 HD1 PHE A 14 8.173 -10.079 16.063 1.00 34.20 H new ATOM 0 HD2 PHE A 14 3.964 -9.975 15.394 1.00 71.23 H new ATOM 0 HE1 PHE A 14 7.785 -10.130 18.486 1.00 64.24 H new ATOM 0 HE2 PHE A 14 3.577 -10.027 17.817 1.00 54.22 H new ATOM 0 HZ PHE A 14 5.487 -10.114 19.368 1.00 45.25 H new ATOM 216 N ALA A 15 8.347 -8.390 11.673 1.00 54.32 N ATOM 217 CA ALA A 15 8.714 -8.278 10.253 1.00 33.05 C ATOM 218 C ALA A 15 8.614 -9.616 9.495 1.00 1.52 C ATOM 219 O ALA A 15 8.885 -9.676 8.292 1.00 50.24 O ATOM 220 CB ALA A 15 10.125 -7.712 10.128 1.00 52.12 C ATOM 0 H ALA A 15 9.129 -8.259 12.315 1.00 54.32 H new ATOM 0 HA ALA A 15 7.994 -7.602 9.791 1.00 33.05 H new ATOM 0 HB1 ALA A 15 10.392 -7.631 9.074 1.00 52.12 H new ATOM 0 HB2 ALA A 15 10.163 -6.725 10.589 1.00 52.12 H new ATOM 0 HB3 ALA A 15 10.829 -8.375 10.631 1.00 52.12 H new ATOM 226 N ARG A 16 8.230 -10.682 10.192 1.00 0.11 N ATOM 227 CA ARG A 16 8.121 -12.007 9.577 1.00 50.53 C ATOM 228 C ARG A 16 7.382 -12.986 10.500 1.00 75.03 C ATOM 229 O ARG A 16 7.403 -12.831 11.721 1.00 20.24 O ATOM 230 CB ARG A 16 9.526 -12.541 9.256 1.00 75.24 C ATOM 231 CG ARG A 16 9.546 -13.828 8.436 1.00 73.54 C ATOM 232 CD ARG A 16 10.945 -14.124 7.908 1.00 4.21 C ATOM 233 NE ARG A 16 11.489 -12.985 7.167 1.00 44.21 N ATOM 234 CZ ARG A 16 12.674 -12.954 6.617 1.00 72.02 C ATOM 235 NH1 ARG A 16 13.442 -13.996 6.622 1.00 54.10 N ATOM 236 NH2 ARG A 16 13.082 -11.872 6.046 1.00 2.23 N ATOM 0 H ARG A 16 7.989 -10.657 11.183 1.00 0.11 H new ATOM 0 HA ARG A 16 7.546 -11.916 8.656 1.00 50.53 H new ATOM 0 HB2 ARG A 16 10.077 -11.772 8.714 1.00 75.24 H new ATOM 0 HB3 ARG A 16 10.057 -12.714 10.192 1.00 75.24 H new ATOM 0 HG2 ARG A 16 9.203 -14.660 9.052 1.00 73.54 H new ATOM 0 HG3 ARG A 16 8.850 -13.741 7.601 1.00 73.54 H new ATOM 0 HD2 ARG A 16 11.606 -14.367 8.740 1.00 4.21 H new ATOM 0 HD3 ARG A 16 10.913 -15.000 7.260 1.00 4.21 H new ATOM 0 HE ARG A 16 10.901 -12.157 7.073 1.00 44.21 H new ATOM 0 HH11 ARG A 16 13.125 -14.861 7.060 1.00 54.10 H new ATOM 0 HH12 ARG A 16 14.364 -13.952 6.187 1.00 54.10 H new ATOM 0 HH21 ARG A 16 12.481 -11.048 6.026 1.00 2.23 H new ATOM 0 HH22 ARG A 16 14.006 -11.840 5.615 1.00 2.23 H new ATOM 250 N LYS A 17 6.723 -13.985 9.912 1.00 14.12 N ATOM 251 CA LYS A 17 6.063 -15.040 10.691 1.00 22.40 C ATOM 252 C LYS A 17 7.018 -15.670 11.716 1.00 53.15 C ATOM 253 O LYS A 17 6.668 -15.822 12.885 1.00 62.40 O ATOM 254 CB LYS A 17 5.504 -16.124 9.756 1.00 32.12 C ATOM 255 CG LYS A 17 4.127 -15.803 9.177 1.00 45.10 C ATOM 256 CD LYS A 17 3.039 -15.821 10.254 1.00 11.41 C ATOM 257 CE LYS A 17 2.963 -17.174 10.962 1.00 51.34 C ATOM 258 NZ LYS A 17 1.889 -17.213 11.993 1.00 51.45 N ATOM 0 H LYS A 17 6.631 -14.088 8.901 1.00 14.12 H new ATOM 0 HA LYS A 17 5.241 -14.579 11.239 1.00 22.40 H new ATOM 0 HB2 LYS A 17 6.204 -16.276 8.935 1.00 32.12 H new ATOM 0 HB3 LYS A 17 5.445 -17.065 10.303 1.00 32.12 H new ATOM 0 HG2 LYS A 17 4.152 -14.822 8.702 1.00 45.10 H new ATOM 0 HG3 LYS A 17 3.882 -16.527 8.400 1.00 45.10 H new ATOM 0 HD2 LYS A 17 3.239 -15.039 10.986 1.00 11.41 H new ATOM 0 HD3 LYS A 17 2.074 -15.594 9.800 1.00 11.41 H new ATOM 0 HE2 LYS A 17 2.785 -17.957 10.225 1.00 51.34 H new ATOM 0 HE3 LYS A 17 3.923 -17.390 11.432 1.00 51.34 H new ATOM 0 HZ1 LYS A 17 1.876 -18.149 12.446 1.00 51.45 H new ATOM 0 HZ2 LYS A 17 2.071 -16.484 12.712 1.00 51.45 H new ATOM 0 HZ3 LYS A 17 0.969 -17.033 11.543 1.00 51.45 H new ATOM 272 N ALA A 18 8.221 -16.031 11.266 1.00 25.51 N ATOM 273 CA ALA A 18 9.252 -16.591 12.150 1.00 21.05 C ATOM 274 C ALA A 18 9.532 -15.673 13.354 1.00 70.33 C ATOM 275 O ALA A 18 9.654 -16.140 14.488 1.00 71.53 O ATOM 276 CB ALA A 18 10.535 -16.835 11.361 1.00 12.42 C ATOM 0 H ALA A 18 8.509 -15.946 10.291 1.00 25.51 H new ATOM 0 HA ALA A 18 8.880 -17.538 12.540 1.00 21.05 H new ATOM 0 HB1 ALA A 18 11.295 -17.250 12.022 1.00 12.42 H new ATOM 0 HB2 ALA A 18 10.336 -17.537 10.551 1.00 12.42 H new ATOM 0 HB3 ALA A 18 10.891 -15.893 10.945 1.00 12.42 H new ATOM 282 N ASP A 19 9.613 -14.366 13.095 1.00 42.11 N ATOM 283 CA ASP A 19 9.842 -13.364 14.145 1.00 50.42 C ATOM 284 C ASP A 19 8.724 -13.409 15.207 1.00 71.30 C ATOM 285 O ASP A 19 8.982 -13.324 16.412 1.00 70.12 O ATOM 286 CB ASP A 19 9.922 -11.968 13.501 1.00 1.43 C ATOM 287 CG ASP A 19 10.419 -10.890 14.450 1.00 73.24 C ATOM 288 OD1 ASP A 19 11.475 -11.090 15.087 1.00 42.24 O ATOM 289 OD2 ASP A 19 9.781 -9.826 14.536 1.00 54.15 O ATOM 0 H ASP A 19 9.523 -13.972 12.159 1.00 42.11 H new ATOM 0 HA ASP A 19 10.782 -13.586 14.649 1.00 50.42 H new ATOM 0 HB2 ASP A 19 10.584 -12.013 12.636 1.00 1.43 H new ATOM 0 HB3 ASP A 19 8.935 -11.689 13.132 1.00 1.43 H new ATOM 294 N ALA A 20 7.481 -13.556 14.747 1.00 21.34 N ATOM 295 CA ALA A 20 6.324 -13.666 15.645 1.00 53.33 C ATOM 296 C ALA A 20 6.337 -14.986 16.436 1.00 14.43 C ATOM 297 O ALA A 20 6.147 -14.996 17.655 1.00 20.13 O ATOM 298 CB ALA A 20 5.026 -13.543 14.852 1.00 3.14 C ATOM 0 H ALA A 20 7.246 -13.602 13.755 1.00 21.34 H new ATOM 0 HA ALA A 20 6.387 -12.849 16.363 1.00 53.33 H new ATOM 0 HB1 ALA A 20 4.176 -13.626 15.530 1.00 3.14 H new ATOM 0 HB2 ALA A 20 4.996 -12.576 14.350 1.00 3.14 H new ATOM 0 HB3 ALA A 20 4.977 -14.339 14.109 1.00 3.14 H new ATOM 304 N LEU A 21 6.568 -16.097 15.734 1.00 13.44 N ATOM 305 CA LEU A 21 6.570 -17.430 16.355 1.00 70.21 C ATOM 306 C LEU A 21 7.669 -17.553 17.422 1.00 35.22 C ATOM 307 O LEU A 21 7.445 -18.107 18.500 1.00 3.35 O ATOM 308 CB LEU A 21 6.761 -18.517 15.285 1.00 24.24 C ATOM 309 CG LEU A 21 5.724 -18.519 14.147 1.00 12.14 C ATOM 310 CD1 LEU A 21 6.012 -19.640 13.153 1.00 55.04 C ATOM 311 CD2 LEU A 21 4.305 -18.636 14.700 1.00 62.45 C ATOM 0 H LEU A 21 6.757 -16.103 14.732 1.00 13.44 H new ATOM 0 HA LEU A 21 5.605 -17.567 16.843 1.00 70.21 H new ATOM 0 HB2 LEU A 21 7.753 -18.402 14.848 1.00 24.24 H new ATOM 0 HB3 LEU A 21 6.739 -19.491 15.774 1.00 24.24 H new ATOM 0 HG LEU A 21 5.802 -17.568 13.619 1.00 12.14 H new ATOM 0 HD11 LEU A 21 5.267 -19.622 12.358 1.00 55.04 H new ATOM 0 HD12 LEU A 21 7.004 -19.500 12.724 1.00 55.04 H new ATOM 0 HD13 LEU A 21 5.972 -20.601 13.666 1.00 55.04 H new ATOM 0 HD21 LEU A 21 3.592 -18.635 13.876 1.00 62.45 H new ATOM 0 HD22 LEU A 21 4.209 -19.565 15.262 1.00 62.45 H new ATOM 0 HD23 LEU A 21 4.100 -17.791 15.358 1.00 62.45 H new ATOM 323 N ALA A 22 8.859 -17.033 17.111 1.00 74.43 N ATOM 324 CA ALA A 22 9.986 -17.052 18.051 1.00 33.24 C ATOM 325 C ALA A 22 9.679 -16.234 19.314 1.00 21.52 C ATOM 326 O ALA A 22 10.034 -16.632 20.425 1.00 52.52 O ATOM 327 CB ALA A 22 11.249 -16.530 17.373 1.00 75.41 C ATOM 0 H ALA A 22 9.069 -16.593 16.215 1.00 74.43 H new ATOM 0 HA ALA A 22 10.149 -18.086 18.357 1.00 33.24 H new ATOM 0 HB1 ALA A 22 12.077 -16.550 18.082 1.00 75.41 H new ATOM 0 HB2 ALA A 22 11.489 -17.160 16.517 1.00 75.41 H new ATOM 0 HB3 ALA A 22 11.084 -15.507 17.036 1.00 75.41 H new ATOM 333 N PHE A 23 9.023 -15.084 19.136 1.00 45.41 N ATOM 334 CA PHE A 23 8.585 -14.261 20.272 1.00 32.22 C ATOM 335 C PHE A 23 7.594 -15.036 21.151 1.00 3.03 C ATOM 336 O PHE A 23 7.743 -15.101 22.374 1.00 21.23 O ATOM 337 CB PHE A 23 7.942 -12.958 19.768 1.00 35.05 C ATOM 338 CG PHE A 23 7.449 -12.047 20.869 1.00 0.24 C ATOM 339 CD1 PHE A 23 8.317 -11.170 21.503 1.00 51.20 C ATOM 340 CD2 PHE A 23 6.117 -12.064 21.264 1.00 13.05 C ATOM 341 CE1 PHE A 23 7.868 -10.330 22.504 1.00 11.42 C ATOM 342 CE2 PHE A 23 5.664 -11.227 22.266 1.00 61.31 C ATOM 343 CZ PHE A 23 6.540 -10.358 22.886 1.00 65.45 C ATOM 0 H PHE A 23 8.783 -14.701 18.221 1.00 45.41 H new ATOM 0 HA PHE A 23 9.459 -14.013 20.874 1.00 32.22 H new ATOM 0 HB2 PHE A 23 8.669 -12.417 19.162 1.00 35.05 H new ATOM 0 HB3 PHE A 23 7.105 -13.207 19.115 1.00 35.05 H new ATOM 0 HD1 PHE A 23 9.356 -11.143 21.211 1.00 51.20 H new ATOM 0 HD2 PHE A 23 5.427 -12.740 20.782 1.00 13.05 H new ATOM 0 HE1 PHE A 23 8.555 -9.651 22.988 1.00 11.42 H new ATOM 0 HE2 PHE A 23 4.626 -11.252 22.564 1.00 61.31 H new ATOM 0 HZ PHE A 23 6.188 -9.701 23.668 1.00 65.45 H new ATOM 353 N MET A 24 6.582 -15.626 20.511 1.00 32.52 N ATOM 354 CA MET A 24 5.583 -16.439 21.214 1.00 33.31 C ATOM 355 C MET A 24 6.240 -17.615 21.948 1.00 22.23 C ATOM 356 O MET A 24 5.867 -17.942 23.073 1.00 64.45 O ATOM 357 CB MET A 24 4.525 -16.962 20.229 1.00 33.22 C ATOM 358 CG MET A 24 3.704 -15.864 19.568 1.00 13.22 C ATOM 359 SD MET A 24 2.475 -16.513 18.417 1.00 24.41 S ATOM 360 CE MET A 24 1.700 -14.999 17.859 1.00 74.45 C ATOM 0 H MET A 24 6.431 -15.557 19.505 1.00 32.52 H new ATOM 0 HA MET A 24 5.098 -15.802 21.953 1.00 33.31 H new ATOM 0 HB2 MET A 24 5.021 -17.548 19.455 1.00 33.22 H new ATOM 0 HB3 MET A 24 3.852 -17.637 20.758 1.00 33.22 H new ATOM 0 HG2 MET A 24 3.202 -15.278 20.338 1.00 13.22 H new ATOM 0 HG3 MET A 24 4.372 -15.186 19.036 1.00 13.22 H new ATOM 0 HE1 MET A 24 1.003 -15.223 17.051 1.00 74.45 H new ATOM 0 HE2 MET A 24 1.160 -14.540 18.687 1.00 74.45 H new ATOM 0 HE3 MET A 24 2.464 -14.310 17.498 1.00 74.45 H new ATOM 370 N LYS A 25 7.225 -18.241 21.304 1.00 41.40 N ATOM 371 CA LYS A 25 7.951 -19.369 21.897 1.00 34.33 C ATOM 372 C LYS A 25 8.588 -18.977 23.244 1.00 40.42 C ATOM 373 O LYS A 25 8.431 -19.681 24.240 1.00 72.21 O ATOM 374 CB LYS A 25 9.038 -19.867 20.931 1.00 3.42 C ATOM 375 CG LYS A 25 9.713 -21.168 21.366 1.00 12.13 C ATOM 376 CD LYS A 25 8.781 -22.371 21.220 1.00 23.02 C ATOM 377 CE LYS A 25 9.439 -23.667 21.687 1.00 70.02 C ATOM 378 NZ LYS A 25 10.751 -23.909 21.028 1.00 34.22 N ATOM 0 H LYS A 25 7.541 -17.986 20.368 1.00 41.40 H new ATOM 0 HA LYS A 25 7.235 -20.170 22.079 1.00 34.33 H new ATOM 0 HB2 LYS A 25 8.594 -20.012 19.946 1.00 3.42 H new ATOM 0 HB3 LYS A 25 9.798 -19.093 20.827 1.00 3.42 H new ATOM 0 HG2 LYS A 25 10.610 -21.329 20.768 1.00 12.13 H new ATOM 0 HG3 LYS A 25 10.034 -21.081 22.404 1.00 12.13 H new ATOM 0 HD2 LYS A 25 7.873 -22.198 21.797 1.00 23.02 H new ATOM 0 HD3 LYS A 25 8.481 -22.472 20.177 1.00 23.02 H new ATOM 0 HE2 LYS A 25 9.580 -23.631 22.767 1.00 70.02 H new ATOM 0 HE3 LYS A 25 8.772 -24.504 21.481 1.00 70.02 H new ATOM 0 HZ1 LYS A 25 11.068 -24.878 21.232 1.00 34.22 H new ATOM 0 HZ2 LYS A 25 10.651 -23.787 20.000 1.00 34.22 H new ATOM 0 HZ3 LYS A 25 11.452 -23.232 21.391 1.00 34.22 H new ATOM 392 N VAL A 26 9.290 -17.841 23.266 1.00 4.23 N ATOM 393 CA VAL A 26 9.986 -17.374 24.475 1.00 71.01 C ATOM 394 C VAL A 26 9.032 -17.225 25.676 1.00 24.33 C ATOM 395 O VAL A 26 9.232 -17.853 26.720 1.00 44.03 O ATOM 396 CB VAL A 26 10.709 -16.024 24.226 1.00 73.31 C ATOM 397 CG1 VAL A 26 11.392 -15.522 25.500 1.00 25.33 C ATOM 398 CG2 VAL A 26 11.719 -16.156 23.088 1.00 72.44 C ATOM 0 H VAL A 26 9.393 -17.224 22.460 1.00 4.23 H new ATOM 0 HA VAL A 26 10.724 -18.139 24.714 1.00 71.01 H new ATOM 0 HB VAL A 26 9.958 -15.289 23.936 1.00 73.31 H new ATOM 0 HG11 VAL A 26 11.891 -14.574 25.296 1.00 25.33 H new ATOM 0 HG12 VAL A 26 10.645 -15.378 26.281 1.00 25.33 H new ATOM 0 HG13 VAL A 26 12.127 -16.255 25.832 1.00 25.33 H new ATOM 0 HG21 VAL A 26 12.215 -15.199 22.929 1.00 72.44 H new ATOM 0 HG22 VAL A 26 12.461 -16.911 23.346 1.00 72.44 H new ATOM 0 HG23 VAL A 26 11.202 -16.453 22.175 1.00 72.44 H new ATOM 408 N MET A 27 7.996 -16.394 25.528 1.00 72.44 N ATOM 409 CA MET A 27 7.037 -16.159 26.619 1.00 12.34 C ATOM 410 C MET A 27 6.278 -17.448 26.985 1.00 21.03 C ATOM 411 O MET A 27 6.044 -17.729 28.160 1.00 11.42 O ATOM 412 CB MET A 27 6.053 -15.032 26.255 1.00 45.21 C ATOM 413 CG MET A 27 5.146 -15.339 25.072 1.00 31.11 C ATOM 414 SD MET A 27 4.022 -13.977 24.698 1.00 31.53 S ATOM 415 CE MET A 27 3.001 -14.707 23.422 1.00 12.32 C ATOM 0 H MET A 27 7.798 -15.875 24.672 1.00 72.44 H new ATOM 0 HA MET A 27 7.605 -15.846 27.495 1.00 12.34 H new ATOM 0 HB2 MET A 27 5.433 -14.815 27.124 1.00 45.21 H new ATOM 0 HB3 MET A 27 6.622 -14.128 26.035 1.00 45.21 H new ATOM 0 HG2 MET A 27 5.757 -15.554 24.195 1.00 31.11 H new ATOM 0 HG3 MET A 27 4.566 -16.237 25.285 1.00 31.11 H new ATOM 0 HE1 MET A 27 3.210 -14.224 22.468 1.00 12.32 H new ATOM 0 HE2 MET A 27 3.220 -15.772 23.345 1.00 12.32 H new ATOM 0 HE3 MET A 27 1.950 -14.571 23.675 1.00 12.32 H new ATOM 425 N LEU A 28 5.918 -18.235 25.972 1.00 21.12 N ATOM 426 CA LEU A 28 5.228 -19.516 26.179 1.00 75.11 C ATOM 427 C LEU A 28 6.068 -20.472 27.043 1.00 5.50 C ATOM 428 O LEU A 28 5.564 -21.098 27.975 1.00 34.33 O ATOM 429 CB LEU A 28 4.927 -20.166 24.819 1.00 42.31 C ATOM 430 CG LEU A 28 4.239 -21.541 24.858 1.00 75.14 C ATOM 431 CD1 LEU A 28 2.885 -21.461 25.561 1.00 51.33 C ATOM 432 CD2 LEU A 28 4.079 -22.093 23.442 1.00 23.22 C ATOM 0 H LEU A 28 6.092 -18.010 24.993 1.00 21.12 H new ATOM 0 HA LEU A 28 4.295 -19.319 26.707 1.00 75.11 H new ATOM 0 HB2 LEU A 28 4.298 -19.485 24.246 1.00 42.31 H new ATOM 0 HB3 LEU A 28 5.865 -20.268 24.274 1.00 42.31 H new ATOM 0 HG LEU A 28 4.871 -22.221 25.429 1.00 75.14 H new ATOM 0 HD11 LEU A 28 2.422 -22.448 25.573 1.00 51.33 H new ATOM 0 HD12 LEU A 28 3.026 -21.114 26.585 1.00 51.33 H new ATOM 0 HD13 LEU A 28 2.239 -20.764 25.028 1.00 51.33 H new ATOM 0 HD21 LEU A 28 3.591 -23.067 23.484 1.00 23.22 H new ATOM 0 HD22 LEU A 28 3.472 -21.408 22.851 1.00 23.22 H new ATOM 0 HD23 LEU A 28 5.060 -22.199 22.980 1.00 23.22 H new ATOM 444 N ASN A 29 7.360 -20.559 26.731 1.00 72.33 N ATOM 445 CA ASN A 29 8.270 -21.477 27.429 1.00 14.30 C ATOM 446 C ASN A 29 8.621 -20.984 28.841 1.00 45.43 C ATOM 447 O ASN A 29 9.231 -21.713 29.624 1.00 44.20 O ATOM 448 CB ASN A 29 9.548 -21.693 26.605 1.00 44.31 C ATOM 449 CG ASN A 29 9.303 -22.502 25.340 1.00 54.24 C ATOM 450 OD1 ASN A 29 10.174 -23.231 24.877 1.00 12.34 O ATOM 451 ND2 ASN A 29 8.119 -22.397 24.769 1.00 35.30 N ATOM 0 H ASN A 29 7.805 -20.005 25.999 1.00 72.33 H new ATOM 0 HA ASN A 29 7.749 -22.428 27.538 1.00 14.30 H new ATOM 0 HB2 ASN A 29 9.969 -20.725 26.336 1.00 44.31 H new ATOM 0 HB3 ASN A 29 10.289 -22.204 27.220 1.00 44.31 H new ATOM 0 HD21 ASN A 29 7.912 -22.929 23.924 1.00 35.30 H new ATOM 0 HD22 ASN A 29 7.411 -21.784 25.173 1.00 35.30 H new ATOM 458 N ARG A 30 8.245 -19.747 29.167 1.00 63.52 N ATOM 459 CA ARG A 30 8.423 -19.232 30.529 1.00 2.44 C ATOM 460 C ARG A 30 7.501 -19.999 31.494 1.00 22.54 C ATOM 461 O ARG A 30 7.869 -20.279 32.638 1.00 3.45 O ATOM 462 CB ARG A 30 8.124 -17.715 30.573 1.00 32.22 C ATOM 463 CG ARG A 30 8.646 -16.977 31.820 1.00 11.42 C ATOM 464 CD ARG A 30 7.842 -17.289 33.085 1.00 41.30 C ATOM 465 NE ARG A 30 8.406 -16.656 34.278 1.00 20.52 N ATOM 466 CZ ARG A 30 9.341 -17.192 35.022 1.00 52.11 C ATOM 467 NH1 ARG A 30 9.870 -18.332 34.702 1.00 43.54 N ATOM 468 NH2 ARG A 30 9.743 -16.590 36.092 1.00 74.54 N ATOM 0 H ARG A 30 7.819 -19.087 28.516 1.00 63.52 H new ATOM 0 HA ARG A 30 9.458 -19.381 30.838 1.00 2.44 H new ATOM 0 HB2 ARG A 30 8.558 -17.250 29.688 1.00 32.22 H new ATOM 0 HB3 ARG A 30 7.045 -17.572 30.512 1.00 32.22 H new ATOM 0 HG2 ARG A 30 9.689 -17.247 31.984 1.00 11.42 H new ATOM 0 HG3 ARG A 30 8.620 -15.903 31.636 1.00 11.42 H new ATOM 0 HD2 ARG A 30 6.814 -16.952 32.951 1.00 41.30 H new ATOM 0 HD3 ARG A 30 7.807 -18.368 33.232 1.00 41.30 H new ATOM 0 HE ARG A 30 8.048 -15.739 34.547 1.00 20.52 H new ATOM 0 HH11 ARG A 30 9.559 -18.821 33.863 1.00 43.54 H new ATOM 0 HH12 ARG A 30 10.598 -18.739 35.289 1.00 43.54 H new ATOM 0 HH21 ARG A 30 9.332 -15.695 36.359 1.00 74.54 H new ATOM 0 HH22 ARG A 30 10.471 -17.009 36.670 1.00 74.54 H new ATOM 482 N TYR A 31 6.312 -20.350 31.010 1.00 5.41 N ATOM 483 CA TYR A 31 5.309 -21.043 31.826 1.00 62.45 C ATOM 484 C TYR A 31 5.402 -22.568 31.656 1.00 71.22 C ATOM 485 O TYR A 31 5.866 -23.066 30.630 1.00 3.55 O ATOM 486 CB TYR A 31 3.901 -20.576 31.435 1.00 44.44 C ATOM 487 CG TYR A 31 3.726 -19.068 31.438 1.00 51.15 C ATOM 488 CD1 TYR A 31 3.347 -18.386 32.592 1.00 62.41 C ATOM 489 CD2 TYR A 31 3.948 -18.326 30.284 1.00 74.04 C ATOM 490 CE1 TYR A 31 3.196 -17.012 32.589 1.00 60.02 C ATOM 491 CE2 TYR A 31 3.797 -16.954 30.275 1.00 61.31 C ATOM 492 CZ TYR A 31 3.423 -16.300 31.429 1.00 62.23 C ATOM 493 OH TYR A 31 3.283 -14.928 31.424 1.00 61.44 O ATOM 0 H TYR A 31 6.015 -20.166 30.052 1.00 5.41 H new ATOM 0 HA TYR A 31 5.506 -20.799 32.870 1.00 62.45 H new ATOM 0 HB2 TYR A 31 3.667 -20.956 30.441 1.00 44.44 H new ATOM 0 HB3 TYR A 31 3.179 -21.016 32.123 1.00 44.44 H new ATOM 0 HD1 TYR A 31 3.169 -18.939 33.502 1.00 62.41 H new ATOM 0 HD2 TYR A 31 4.244 -18.832 29.377 1.00 74.04 H new ATOM 0 HE1 TYR A 31 2.901 -16.497 33.492 1.00 60.02 H new ATOM 0 HE2 TYR A 31 3.971 -16.395 29.367 1.00 61.31 H new ATOM 0 HH TYR A 31 3.894 -14.539 30.764 1.00 61.44 H new ATOM 503 N ARG A 32 4.951 -23.300 32.666 1.00 42.54 N ATOM 504 CA ARG A 32 4.913 -24.766 32.618 1.00 12.20 C ATOM 505 C ARG A 32 3.562 -25.264 32.071 1.00 4.05 C ATOM 506 O ARG A 32 2.602 -24.495 31.997 1.00 44.44 O ATOM 507 CB ARG A 32 5.157 -25.320 34.029 1.00 20.50 C ATOM 508 CG ARG A 32 6.578 -25.090 34.538 1.00 30.21 C ATOM 509 CD ARG A 32 6.643 -25.090 36.058 1.00 71.34 C ATOM 510 NE ARG A 32 5.960 -26.242 36.645 1.00 12.34 N ATOM 511 CZ ARG A 32 5.244 -26.193 37.734 1.00 12.40 C ATOM 512 NH1 ARG A 32 5.079 -25.069 38.364 1.00 2.53 N ATOM 513 NH2 ARG A 32 4.685 -27.270 38.178 1.00 73.32 N ATOM 0 H ARG A 32 4.602 -22.903 33.539 1.00 42.54 H new ATOM 0 HA ARG A 32 5.694 -25.121 31.945 1.00 12.20 H new ATOM 0 HB2 ARG A 32 4.453 -24.856 34.719 1.00 20.50 H new ATOM 0 HB3 ARG A 32 4.948 -26.390 34.032 1.00 20.50 H new ATOM 0 HG2 ARG A 32 7.234 -25.867 34.147 1.00 30.21 H new ATOM 0 HG3 ARG A 32 6.950 -24.138 34.159 1.00 30.21 H new ATOM 0 HD2 ARG A 32 7.686 -25.089 36.374 1.00 71.34 H new ATOM 0 HD3 ARG A 32 6.194 -24.172 36.438 1.00 71.34 H new ATOM 0 HE ARG A 32 6.049 -27.142 36.173 1.00 12.34 H new ATOM 0 HH11 ARG A 32 5.511 -24.216 38.008 1.00 2.53 H new ATOM 0 HH12 ARG A 32 4.518 -25.039 39.215 1.00 2.53 H new ATOM 0 HH21 ARG A 32 4.805 -28.151 37.677 1.00 73.32 H new ATOM 0 HH22 ARG A 32 4.124 -27.240 39.029 1.00 73.32 H new ATOM 527 N PRO A 33 3.461 -26.560 31.680 1.00 64.21 N ATOM 528 CA PRO A 33 2.196 -27.161 31.178 1.00 34.11 C ATOM 529 C PRO A 33 1.035 -27.183 32.206 1.00 74.32 C ATOM 530 O PRO A 33 0.145 -28.034 32.128 1.00 11.35 O ATOM 531 CB PRO A 33 2.606 -28.602 30.812 1.00 24.35 C ATOM 532 CG PRO A 33 4.087 -28.548 30.643 1.00 55.13 C ATOM 533 CD PRO A 33 4.570 -27.533 31.640 1.00 40.15 C ATOM 0 HA PRO A 33 1.798 -26.571 30.352 1.00 34.11 H new ATOM 0 HB2 PRO A 33 2.323 -29.305 31.596 1.00 24.35 H new ATOM 0 HB3 PRO A 33 2.116 -28.932 29.896 1.00 24.35 H new ATOM 0 HG2 PRO A 33 4.538 -29.523 30.826 1.00 55.13 H new ATOM 0 HG3 PRO A 33 4.355 -28.258 29.627 1.00 55.13 H new ATOM 0 HD2 PRO A 33 4.751 -27.980 32.617 1.00 40.15 H new ATOM 0 HD3 PRO A 33 5.504 -27.069 31.324 1.00 40.15 H new ATOM 541 N GLY A 34 1.046 -26.259 33.163 1.00 73.33 N ATOM 542 CA GLY A 34 -0.060 -26.118 34.101 1.00 13.43 C ATOM 543 C GLY A 34 -0.173 -24.704 34.667 1.00 72.22 C ATOM 544 O GLY A 34 -0.878 -24.478 35.653 1.00 42.13 O ATOM 0 H GLY A 34 1.809 -25.598 33.308 1.00 73.33 H new ATOM 0 HA2 GLY A 34 -0.992 -26.381 33.600 1.00 13.43 H new ATOM 0 HA3 GLY A 34 0.071 -26.824 34.921 1.00 13.43 H new ATOM 548 N ASP A 35 0.522 -23.750 34.044 1.00 15.24 N ATOM 549 CA ASP A 35 0.530 -22.357 34.512 1.00 44.11 C ATOM 550 C ASP A 35 -0.515 -21.493 33.795 1.00 71.01 C ATOM 551 O ASP A 35 -0.997 -21.831 32.711 1.00 34.03 O ATOM 552 CB ASP A 35 1.916 -21.725 34.319 1.00 41.01 C ATOM 553 CG ASP A 35 2.836 -21.955 35.502 1.00 33.15 C ATOM 554 OD1 ASP A 35 2.592 -21.348 36.567 1.00 53.31 O ATOM 555 OD2 ASP A 35 3.807 -22.724 35.372 1.00 54.10 O ATOM 0 H ASP A 35 1.089 -23.914 33.212 1.00 15.24 H new ATOM 0 HA ASP A 35 0.279 -22.388 35.572 1.00 44.11 H new ATOM 0 HB2 ASP A 35 2.376 -22.137 33.421 1.00 41.01 H new ATOM 0 HB3 ASP A 35 1.802 -20.653 34.156 1.00 41.01 H new ATOM 560 N ILE A 36 -0.848 -20.364 34.415 1.00 3.24 N ATOM 561 CA ILE A 36 -1.751 -19.379 33.814 1.00 60.24 C ATOM 562 C ILE A 36 -0.957 -18.214 33.202 1.00 4.12 C ATOM 563 O ILE A 36 -0.018 -17.698 33.809 1.00 64.50 O ATOM 564 CB ILE A 36 -2.753 -18.826 34.859 1.00 35.11 C ATOM 565 CG1 ILE A 36 -3.523 -19.981 35.526 1.00 63.33 C ATOM 566 CG2 ILE A 36 -3.723 -17.830 34.214 1.00 4.00 C ATOM 567 CD1 ILE A 36 -4.273 -20.863 34.550 1.00 51.42 C ATOM 0 H ILE A 36 -0.505 -20.105 35.340 1.00 3.24 H new ATOM 0 HA ILE A 36 -2.309 -19.887 33.027 1.00 60.24 H new ATOM 0 HB ILE A 36 -2.189 -18.296 35.627 1.00 35.11 H new ATOM 0 HG12 ILE A 36 -2.821 -20.595 36.090 1.00 63.33 H new ATOM 0 HG13 ILE A 36 -4.231 -19.566 36.244 1.00 63.33 H new ATOM 0 HG21 ILE A 36 -4.416 -17.456 34.968 1.00 4.00 H new ATOM 0 HG22 ILE A 36 -3.161 -16.996 33.792 1.00 4.00 H new ATOM 0 HG23 ILE A 36 -4.283 -18.328 33.422 1.00 4.00 H new ATOM 0 HD11 ILE A 36 -4.790 -21.653 35.096 1.00 51.42 H new ATOM 0 HD12 ILE A 36 -5.001 -20.264 34.003 1.00 51.42 H new ATOM 0 HD13 ILE A 36 -3.569 -21.309 33.847 1.00 51.42 H new ATOM 579 N VAL A 37 -1.339 -17.807 32.000 1.00 45.42 N ATOM 580 CA VAL A 37 -0.656 -16.721 31.291 1.00 63.13 C ATOM 581 C VAL A 37 -0.896 -15.355 31.969 1.00 40.54 C ATOM 582 O VAL A 37 -2.022 -15.031 32.351 1.00 70.21 O ATOM 583 CB VAL A 37 -1.120 -16.662 29.813 1.00 55.52 C ATOM 584 CG1 VAL A 37 -0.421 -15.538 29.053 1.00 63.35 C ATOM 585 CG2 VAL A 37 -0.887 -18.007 29.124 1.00 4.12 C ATOM 0 H VAL A 37 -2.123 -18.212 31.488 1.00 45.42 H new ATOM 0 HA VAL A 37 0.413 -16.932 31.326 1.00 63.13 H new ATOM 0 HB VAL A 37 -2.189 -16.449 29.807 1.00 55.52 H new ATOM 0 HG11 VAL A 37 -0.770 -15.525 28.020 1.00 63.35 H new ATOM 0 HG12 VAL A 37 -0.650 -14.583 29.525 1.00 63.35 H new ATOM 0 HG13 VAL A 37 0.656 -15.702 29.070 1.00 63.35 H new ATOM 0 HG21 VAL A 37 -1.219 -17.947 28.087 1.00 4.12 H new ATOM 0 HG22 VAL A 37 0.175 -18.251 29.152 1.00 4.12 H new ATOM 0 HG23 VAL A 37 -1.451 -18.783 29.641 1.00 4.12 H new ATOM 595 N SER A 38 0.173 -14.563 32.116 1.00 42.43 N ATOM 596 CA SER A 38 0.093 -13.244 32.772 1.00 31.14 C ATOM 597 C SER A 38 -0.826 -12.272 32.012 1.00 60.10 C ATOM 598 O SER A 38 -1.174 -12.497 30.850 1.00 23.33 O ATOM 599 CB SER A 38 1.494 -12.629 32.905 1.00 61.45 C ATOM 600 OG SER A 38 2.368 -13.474 33.642 1.00 25.03 O ATOM 0 H SER A 38 1.107 -14.810 31.790 1.00 42.43 H new ATOM 0 HA SER A 38 -0.336 -13.404 33.761 1.00 31.14 H new ATOM 0 HB2 SER A 38 1.910 -12.451 31.913 1.00 61.45 H new ATOM 0 HB3 SER A 38 1.421 -11.660 33.399 1.00 61.45 H new ATOM 0 HG SER A 38 2.826 -14.086 33.028 1.00 25.03 H new ATOM 606 N THR A 39 -1.198 -11.177 32.676 1.00 60.40 N ATOM 607 CA THR A 39 -2.142 -10.194 32.116 1.00 74.21 C ATOM 608 C THR A 39 -1.634 -9.574 30.802 1.00 51.04 C ATOM 609 O THR A 39 -2.368 -9.509 29.814 1.00 51.13 O ATOM 610 CB THR A 39 -2.436 -9.058 33.130 1.00 62.23 C ATOM 611 OG1 THR A 39 -2.855 -9.620 34.386 1.00 42.43 O ATOM 612 CG2 THR A 39 -3.515 -8.109 32.607 1.00 24.31 C ATOM 0 H THR A 39 -0.860 -10.943 33.609 1.00 60.40 H new ATOM 0 HA THR A 39 -3.059 -10.744 31.904 1.00 74.21 H new ATOM 0 HB THR A 39 -1.518 -8.487 33.269 1.00 62.23 H new ATOM 0 HG1 THR A 39 -3.038 -8.898 35.023 1.00 42.43 H new ATOM 0 HG21 THR A 39 -3.697 -7.325 33.342 1.00 24.31 H new ATOM 0 HG22 THR A 39 -3.182 -7.660 31.671 1.00 24.31 H new ATOM 0 HG23 THR A 39 -4.436 -8.665 32.434 1.00 24.31 H new ATOM 620 N VAL A 40 -0.379 -9.118 30.794 1.00 70.41 N ATOM 621 CA VAL A 40 0.219 -8.509 29.592 1.00 44.13 C ATOM 622 C VAL A 40 0.271 -9.506 28.423 1.00 30.31 C ATOM 623 O VAL A 40 -0.236 -9.234 27.331 1.00 44.13 O ATOM 624 CB VAL A 40 1.652 -7.988 29.872 1.00 44.23 C ATOM 625 CG1 VAL A 40 2.241 -7.326 28.627 1.00 51.43 C ATOM 626 CG2 VAL A 40 1.660 -7.021 31.056 1.00 74.25 C ATOM 0 H VAL A 40 0.245 -9.156 31.600 1.00 70.41 H new ATOM 0 HA VAL A 40 -0.420 -7.669 29.319 1.00 44.13 H new ATOM 0 HB VAL A 40 2.277 -8.843 30.131 1.00 44.23 H new ATOM 0 HG11 VAL A 40 3.247 -6.968 28.847 1.00 51.43 H new ATOM 0 HG12 VAL A 40 2.283 -8.052 27.815 1.00 51.43 H new ATOM 0 HG13 VAL A 40 1.613 -6.486 28.330 1.00 51.43 H new ATOM 0 HG21 VAL A 40 2.677 -6.670 31.232 1.00 74.25 H new ATOM 0 HG22 VAL A 40 1.015 -6.170 30.835 1.00 74.25 H new ATOM 0 HG23 VAL A 40 1.294 -7.533 31.946 1.00 74.25 H new ATOM 636 N ASP A 41 0.888 -10.660 28.668 1.00 73.33 N ATOM 637 CA ASP A 41 0.992 -11.729 27.667 1.00 22.15 C ATOM 638 C ASP A 41 -0.397 -12.116 27.125 1.00 22.43 C ATOM 639 O ASP A 41 -0.577 -12.333 25.925 1.00 11.01 O ATOM 640 CB ASP A 41 1.667 -12.954 28.293 1.00 22.02 C ATOM 641 CG ASP A 41 2.984 -12.619 28.972 1.00 40.21 C ATOM 642 OD1 ASP A 41 2.958 -11.938 30.019 1.00 53.25 O ATOM 643 OD2 ASP A 41 4.046 -13.054 28.485 1.00 4.12 O ATOM 0 H ASP A 41 1.329 -10.884 29.560 1.00 73.33 H new ATOM 0 HA ASP A 41 1.593 -11.365 26.833 1.00 22.15 H new ATOM 0 HB2 ASP A 41 0.992 -13.402 29.022 1.00 22.02 H new ATOM 0 HB3 ASP A 41 1.842 -13.701 27.519 1.00 22.02 H new ATOM 648 N GLY A 42 -1.378 -12.191 28.027 1.00 62.43 N ATOM 649 CA GLY A 42 -2.754 -12.459 27.627 1.00 34.25 C ATOM 650 C GLY A 42 -3.315 -11.382 26.703 1.00 33.02 C ATOM 651 O GLY A 42 -3.948 -11.691 25.693 1.00 65.21 O ATOM 0 H GLY A 42 -1.243 -12.070 29.031 1.00 62.43 H new ATOM 0 HA2 GLY A 42 -2.801 -13.425 27.124 1.00 34.25 H new ATOM 0 HA3 GLY A 42 -3.380 -12.532 28.516 1.00 34.25 H new ATOM 655 N ALA A 43 -3.069 -10.113 27.044 1.00 31.43 N ATOM 656 CA ALA A 43 -3.510 -8.979 26.218 1.00 52.13 C ATOM 657 C ALA A 43 -2.940 -9.064 24.791 1.00 11.43 C ATOM 658 O ALA A 43 -3.587 -8.658 23.822 1.00 42.41 O ATOM 659 CB ALA A 43 -3.106 -7.663 26.876 1.00 45.11 C ATOM 0 H ALA A 43 -2.565 -9.842 27.889 1.00 31.43 H new ATOM 0 HA ALA A 43 -4.597 -9.021 26.142 1.00 52.13 H new ATOM 0 HB1 ALA A 43 -3.437 -6.830 26.256 1.00 45.11 H new ATOM 0 HB2 ALA A 43 -3.570 -7.591 27.860 1.00 45.11 H new ATOM 0 HB3 ALA A 43 -2.022 -7.627 26.983 1.00 45.11 H new ATOM 665 N PHE A 44 -1.721 -9.588 24.678 1.00 51.44 N ATOM 666 CA PHE A 44 -1.097 -9.854 23.377 1.00 41.12 C ATOM 667 C PHE A 44 -1.884 -10.931 22.607 1.00 53.21 C ATOM 668 O PHE A 44 -2.204 -10.769 21.425 1.00 11.53 O ATOM 669 CB PHE A 44 0.358 -10.303 23.593 1.00 74.11 C ATOM 670 CG PHE A 44 1.111 -10.640 22.326 1.00 43.11 C ATOM 671 CD1 PHE A 44 1.808 -9.661 21.635 1.00 61.52 C ATOM 672 CD2 PHE A 44 1.127 -11.940 21.833 1.00 3.43 C ATOM 673 CE1 PHE A 44 2.503 -9.969 20.481 1.00 31.41 C ATOM 674 CE2 PHE A 44 1.821 -12.251 20.681 1.00 74.41 C ATOM 675 CZ PHE A 44 2.509 -11.265 20.003 1.00 13.43 C ATOM 0 H PHE A 44 -1.139 -9.840 25.477 1.00 51.44 H new ATOM 0 HA PHE A 44 -1.108 -8.941 22.782 1.00 41.12 H new ATOM 0 HB2 PHE A 44 0.894 -9.512 24.118 1.00 74.11 H new ATOM 0 HB3 PHE A 44 0.361 -11.177 24.244 1.00 74.11 H new ATOM 0 HD1 PHE A 44 1.808 -8.646 22.003 1.00 61.52 H new ATOM 0 HD2 PHE A 44 0.590 -12.716 22.358 1.00 3.43 H new ATOM 0 HE1 PHE A 44 3.042 -9.196 19.953 1.00 31.41 H new ATOM 0 HE2 PHE A 44 1.826 -13.265 20.310 1.00 74.41 H new ATOM 0 HZ PHE A 44 3.051 -11.506 19.101 1.00 13.43 H new ATOM 685 N LEU A 45 -2.195 -12.029 23.297 1.00 35.12 N ATOM 686 CA LEU A 45 -2.973 -13.130 22.715 1.00 3.55 C ATOM 687 C LEU A 45 -4.369 -12.668 22.261 1.00 42.50 C ATOM 688 O LEU A 45 -4.880 -13.126 21.237 1.00 30.32 O ATOM 689 CB LEU A 45 -3.104 -14.265 23.739 1.00 41.25 C ATOM 690 CG LEU A 45 -1.782 -14.933 24.146 1.00 61.00 C ATOM 691 CD1 LEU A 45 -1.996 -15.884 25.319 1.00 4.04 C ATOM 692 CD2 LEU A 45 -1.171 -15.673 22.959 1.00 54.20 C ATOM 0 H LEU A 45 -1.919 -12.182 24.267 1.00 35.12 H new ATOM 0 HA LEU A 45 -2.442 -13.486 21.832 1.00 3.55 H new ATOM 0 HB2 LEU A 45 -3.585 -13.871 24.635 1.00 41.25 H new ATOM 0 HB3 LEU A 45 -3.767 -15.027 23.330 1.00 41.25 H new ATOM 0 HG LEU A 45 -1.088 -14.155 24.462 1.00 61.00 H new ATOM 0 HD11 LEU A 45 -1.047 -16.346 25.591 1.00 4.04 H new ATOM 0 HD12 LEU A 45 -2.386 -15.328 26.172 1.00 4.04 H new ATOM 0 HD13 LEU A 45 -2.708 -16.658 25.034 1.00 4.04 H new ATOM 0 HD21 LEU A 45 -0.235 -16.141 23.264 1.00 54.20 H new ATOM 0 HD22 LEU A 45 -1.864 -16.440 22.613 1.00 54.20 H new ATOM 0 HD23 LEU A 45 -0.977 -14.968 22.151 1.00 54.20 H new ATOM 704 N VAL A 46 -4.978 -11.762 23.029 1.00 74.24 N ATOM 705 CA VAL A 46 -6.294 -11.211 22.681 1.00 31.45 C ATOM 706 C VAL A 46 -6.280 -10.578 21.277 1.00 31.44 C ATOM 707 O VAL A 46 -7.114 -10.905 20.431 1.00 61.21 O ATOM 708 CB VAL A 46 -6.765 -10.158 23.722 1.00 3.50 C ATOM 709 CG1 VAL A 46 -8.093 -9.524 23.304 1.00 61.42 C ATOM 710 CG2 VAL A 46 -6.888 -10.790 25.109 1.00 53.51 C ATOM 0 H VAL A 46 -4.584 -11.394 23.895 1.00 74.24 H new ATOM 0 HA VAL A 46 -6.997 -12.044 22.686 1.00 31.45 H new ATOM 0 HB VAL A 46 -6.013 -9.370 23.764 1.00 3.50 H new ATOM 0 HG11 VAL A 46 -8.398 -8.791 24.051 1.00 61.42 H new ATOM 0 HG12 VAL A 46 -7.973 -9.030 22.340 1.00 61.42 H new ATOM 0 HG13 VAL A 46 -8.856 -10.298 23.223 1.00 61.42 H new ATOM 0 HG21 VAL A 46 -7.219 -10.037 25.824 1.00 53.51 H new ATOM 0 HG22 VAL A 46 -7.614 -11.602 25.076 1.00 53.51 H new ATOM 0 HG23 VAL A 46 -5.919 -11.182 25.417 1.00 53.51 H new ATOM 720 N GLU A 47 -5.316 -9.690 21.031 1.00 64.41 N ATOM 721 CA GLU A 47 -5.159 -9.052 19.716 1.00 33.34 C ATOM 722 C GLU A 47 -4.887 -10.097 18.618 1.00 52.45 C ATOM 723 O GLU A 47 -5.498 -10.068 17.547 1.00 45.12 O ATOM 724 CB GLU A 47 -4.012 -8.030 19.759 1.00 4.54 C ATOM 725 CG GLU A 47 -4.252 -6.859 20.712 1.00 65.34 C ATOM 726 CD GLU A 47 -5.376 -5.943 20.257 1.00 64.12 C ATOM 727 OE1 GLU A 47 -5.244 -5.321 19.185 1.00 73.22 O ATOM 728 OE2 GLU A 47 -6.394 -5.842 20.968 1.00 60.15 O ATOM 0 H GLU A 47 -4.629 -9.393 21.724 1.00 64.41 H new ATOM 0 HA GLU A 47 -6.091 -8.541 19.477 1.00 33.34 H new ATOM 0 HB2 GLU A 47 -3.095 -8.541 20.053 1.00 4.54 H new ATOM 0 HB3 GLU A 47 -3.851 -7.639 18.754 1.00 4.54 H new ATOM 0 HG2 GLU A 47 -4.486 -7.247 21.703 1.00 65.34 H new ATOM 0 HG3 GLU A 47 -3.334 -6.279 20.805 1.00 65.34 H new ATOM 735 N ALA A 48 -3.975 -11.029 18.907 1.00 43.31 N ATOM 736 CA ALA A 48 -3.626 -12.105 17.968 1.00 13.33 C ATOM 737 C ALA A 48 -4.847 -12.971 17.613 1.00 25.14 C ATOM 738 O ALA A 48 -4.931 -13.530 16.515 1.00 11.21 O ATOM 739 CB ALA A 48 -2.515 -12.976 18.556 1.00 12.02 C ATOM 0 H ALA A 48 -3.461 -11.062 19.788 1.00 43.31 H new ATOM 0 HA ALA A 48 -3.272 -11.640 17.048 1.00 13.33 H new ATOM 0 HB1 ALA A 48 -2.264 -13.770 17.852 1.00 12.02 H new ATOM 0 HB2 ALA A 48 -1.633 -12.364 18.742 1.00 12.02 H new ATOM 0 HB3 ALA A 48 -2.855 -13.416 19.493 1.00 12.02 H new ATOM 745 N LEU A 49 -5.786 -13.082 18.549 1.00 75.52 N ATOM 746 CA LEU A 49 -7.000 -13.876 18.341 1.00 4.34 C ATOM 747 C LEU A 49 -8.089 -13.081 17.596 1.00 41.40 C ATOM 748 O LEU A 49 -8.667 -13.571 16.627 1.00 72.33 O ATOM 749 CB LEU A 49 -7.546 -14.369 19.688 1.00 33.22 C ATOM 750 CG LEU A 49 -8.818 -15.231 19.607 1.00 21.34 C ATOM 751 CD1 LEU A 49 -8.585 -16.469 18.742 1.00 3.11 C ATOM 752 CD2 LEU A 49 -9.279 -15.627 21.006 1.00 61.43 C ATOM 0 H LEU A 49 -5.732 -12.632 19.463 1.00 75.52 H new ATOM 0 HA LEU A 49 -6.729 -14.730 17.720 1.00 4.34 H new ATOM 0 HB2 LEU A 49 -6.768 -14.946 20.188 1.00 33.22 H new ATOM 0 HB3 LEU A 49 -7.754 -13.503 20.316 1.00 33.22 H new ATOM 0 HG LEU A 49 -9.604 -14.639 19.138 1.00 21.34 H new ATOM 0 HD11 LEU A 49 -9.499 -17.061 18.701 1.00 3.11 H new ATOM 0 HD12 LEU A 49 -8.306 -16.161 17.734 1.00 3.11 H new ATOM 0 HD13 LEU A 49 -7.783 -17.068 19.173 1.00 3.11 H new ATOM 0 HD21 LEU A 49 -10.180 -16.236 20.933 1.00 61.43 H new ATOM 0 HD22 LEU A 49 -8.493 -16.198 21.500 1.00 61.43 H new ATOM 0 HD23 LEU A 49 -9.494 -14.729 21.586 1.00 61.43 H new ATOM 764 N LYS A 50 -8.357 -11.853 18.047 1.00 62.11 N ATOM 765 CA LYS A 50 -9.449 -11.031 17.491 1.00 43.11 C ATOM 766 C LYS A 50 -9.307 -10.790 15.978 1.00 43.12 C ATOM 767 O LYS A 50 -10.303 -10.598 15.281 1.00 63.54 O ATOM 768 CB LYS A 50 -9.541 -9.684 18.225 1.00 42.24 C ATOM 769 CG LYS A 50 -9.906 -9.811 19.702 1.00 10.43 C ATOM 770 CD LYS A 50 -10.100 -8.449 20.367 1.00 55.35 C ATOM 771 CE LYS A 50 -8.870 -7.562 20.223 1.00 4.25 C ATOM 772 NZ LYS A 50 -9.048 -6.249 20.897 1.00 34.02 N ATOM 0 H LYS A 50 -7.835 -11.400 18.797 1.00 62.11 H new ATOM 0 HA LYS A 50 -10.368 -11.597 17.644 1.00 43.11 H new ATOM 0 HB2 LYS A 50 -8.585 -9.168 18.140 1.00 42.24 H new ATOM 0 HB3 LYS A 50 -10.285 -9.060 17.729 1.00 42.24 H new ATOM 0 HG2 LYS A 50 -10.821 -10.395 19.800 1.00 10.43 H new ATOM 0 HG3 LYS A 50 -9.121 -10.359 20.223 1.00 10.43 H new ATOM 0 HD2 LYS A 50 -10.961 -7.949 19.924 1.00 55.35 H new ATOM 0 HD3 LYS A 50 -10.323 -8.591 21.425 1.00 55.35 H new ATOM 0 HE2 LYS A 50 -8.004 -8.072 20.645 1.00 4.25 H new ATOM 0 HE3 LYS A 50 -8.661 -7.401 19.165 1.00 4.25 H new ATOM 0 HZ1 LYS A 50 -8.124 -5.783 20.999 1.00 34.02 H new ATOM 0 HZ2 LYS A 50 -9.678 -5.649 20.327 1.00 34.02 H new ATOM 0 HZ3 LYS A 50 -9.467 -6.396 21.838 1.00 34.02 H new ATOM 786 N ARG A 51 -8.076 -10.817 15.466 1.00 4.21 N ATOM 787 CA ARG A 51 -7.837 -10.613 14.027 1.00 1.14 C ATOM 788 C ARG A 51 -8.052 -11.914 13.216 1.00 62.21 C ATOM 789 O ARG A 51 -7.584 -12.045 12.083 1.00 23.33 O ATOM 790 CB ARG A 51 -6.426 -10.038 13.801 1.00 1.13 C ATOM 791 CG ARG A 51 -5.284 -10.969 14.198 1.00 54.45 C ATOM 792 CD ARG A 51 -3.929 -10.265 14.125 1.00 23.21 C ATOM 793 NE ARG A 51 -3.734 -9.550 12.858 1.00 63.54 N ATOM 794 CZ ARG A 51 -2.578 -9.376 12.274 1.00 54.31 C ATOM 795 NH1 ARG A 51 -1.495 -9.877 12.782 1.00 34.11 N ATOM 796 NH2 ARG A 51 -2.515 -8.694 11.174 1.00 62.45 N ATOM 0 H ARG A 51 -7.232 -10.976 16.016 1.00 4.21 H new ATOM 0 HA ARG A 51 -8.569 -9.892 13.662 1.00 1.14 H new ATOM 0 HB2 ARG A 51 -6.318 -9.782 12.747 1.00 1.13 H new ATOM 0 HB3 ARG A 51 -6.332 -9.110 14.365 1.00 1.13 H new ATOM 0 HG2 ARG A 51 -5.449 -11.336 15.211 1.00 54.45 H new ATOM 0 HG3 ARG A 51 -5.278 -11.839 13.541 1.00 54.45 H new ATOM 0 HD2 ARG A 51 -3.844 -9.561 14.953 1.00 23.21 H new ATOM 0 HD3 ARG A 51 -3.134 -11.000 14.249 1.00 23.21 H new ATOM 0 HE ARG A 51 -4.559 -9.162 12.401 1.00 63.54 H new ATOM 0 HH11 ARG A 51 -1.539 -10.415 13.648 1.00 34.11 H new ATOM 0 HH12 ARG A 51 -0.599 -9.734 12.316 1.00 34.11 H new ATOM 0 HH21 ARG A 51 -3.364 -8.298 10.770 1.00 62.45 H new ATOM 0 HH22 ARG A 51 -1.617 -8.553 10.712 1.00 62.45 H new ATOM 810 N HIS A 52 -8.773 -12.870 13.812 1.00 54.43 N ATOM 811 CA HIS A 52 -9.196 -14.101 13.121 1.00 45.43 C ATOM 812 C HIS A 52 -10.611 -13.952 12.533 1.00 50.12 C ATOM 813 O HIS A 52 -11.436 -13.208 13.064 1.00 52.54 O ATOM 814 CB HIS A 52 -9.208 -15.290 14.098 1.00 74.35 C ATOM 815 CG HIS A 52 -7.865 -15.878 14.397 1.00 44.01 C ATOM 816 ND1 HIS A 52 -7.647 -17.238 14.447 1.00 75.31 N ATOM 817 CD2 HIS A 52 -6.676 -15.299 14.683 1.00 13.12 C ATOM 818 CE1 HIS A 52 -6.388 -17.471 14.748 1.00 62.42 C ATOM 819 NE2 HIS A 52 -5.775 -16.313 14.897 1.00 53.23 N ATOM 0 H HIS A 52 -9.081 -12.816 14.783 1.00 54.43 H new ATOM 0 HA HIS A 52 -8.483 -14.279 12.316 1.00 45.43 H new ATOM 0 HB2 HIS A 52 -9.663 -14.967 15.034 1.00 74.35 H new ATOM 0 HB3 HIS A 52 -9.847 -16.072 13.687 1.00 74.35 H new ATOM 0 HD1 HIS A 52 -8.353 -17.954 14.277 1.00 75.31 H new ATOM 0 HD2 HIS A 52 -6.474 -14.239 14.733 1.00 13.12 H new ATOM 0 HE1 HIS A 52 -5.934 -18.445 14.855 1.00 62.42 H new ATOM 828 N PRO A 53 -10.921 -14.670 11.435 1.00 35.13 N ATOM 829 CA PRO A 53 -12.305 -14.788 10.941 1.00 71.50 C ATOM 830 C PRO A 53 -13.150 -15.691 11.863 1.00 22.23 C ATOM 831 O PRO A 53 -14.372 -15.563 11.951 1.00 35.51 O ATOM 832 CB PRO A 53 -12.128 -15.421 9.550 1.00 54.11 C ATOM 833 CG PRO A 53 -10.845 -16.184 9.641 1.00 20.13 C ATOM 834 CD PRO A 53 -9.960 -15.399 10.578 1.00 24.43 C ATOM 0 HA PRO A 53 -12.832 -13.834 10.911 1.00 71.50 H new ATOM 0 HB2 PRO A 53 -12.963 -16.078 9.305 1.00 54.11 H new ATOM 0 HB3 PRO A 53 -12.082 -14.660 8.771 1.00 54.11 H new ATOM 0 HG2 PRO A 53 -11.016 -17.192 10.019 1.00 20.13 H new ATOM 0 HG3 PRO A 53 -10.381 -16.286 8.660 1.00 20.13 H new ATOM 0 HD2 PRO A 53 -9.316 -16.054 11.165 1.00 24.43 H new ATOM 0 HD3 PRO A 53 -9.308 -14.715 10.035 1.00 24.43 H new ATOM 842 N ASP A 54 -12.461 -16.592 12.561 1.00 65.53 N ATOM 843 CA ASP A 54 -13.080 -17.507 13.531 1.00 23.31 C ATOM 844 C ASP A 54 -13.145 -16.896 14.947 1.00 63.14 C ATOM 845 O ASP A 54 -13.700 -17.503 15.869 1.00 11.42 O ATOM 846 CB ASP A 54 -12.280 -18.818 13.559 1.00 4.04 C ATOM 847 CG ASP A 54 -10.781 -18.570 13.680 1.00 25.40 C ATOM 848 OD1 ASP A 54 -10.139 -18.282 12.647 1.00 34.13 O ATOM 849 OD2 ASP A 54 -10.244 -18.634 14.803 1.00 73.35 O ATOM 0 H ASP A 54 -11.452 -16.712 12.472 1.00 65.53 H new ATOM 0 HA ASP A 54 -14.107 -17.695 13.216 1.00 23.31 H new ATOM 0 HB2 ASP A 54 -12.615 -19.429 14.397 1.00 4.04 H new ATOM 0 HB3 ASP A 54 -12.481 -19.385 12.650 1.00 4.04 H new ATOM 854 N ALA A 55 -12.603 -15.684 15.097 1.00 44.14 N ATOM 855 CA ALA A 55 -12.454 -15.029 16.408 1.00 43.31 C ATOM 856 C ALA A 55 -13.742 -15.053 17.251 1.00 33.33 C ATOM 857 O ALA A 55 -13.702 -15.359 18.444 1.00 45.13 O ATOM 858 CB ALA A 55 -11.985 -13.591 16.220 1.00 62.04 C ATOM 0 H ALA A 55 -12.254 -15.127 14.317 1.00 44.14 H new ATOM 0 HA ALA A 55 -11.708 -15.601 16.959 1.00 43.31 H new ATOM 0 HB1 ALA A 55 -11.877 -13.113 17.194 1.00 62.04 H new ATOM 0 HB2 ALA A 55 -11.024 -13.586 15.705 1.00 62.04 H new ATOM 0 HB3 ALA A 55 -12.718 -13.044 15.627 1.00 62.04 H new ATOM 864 N THR A 56 -14.875 -14.730 16.626 1.00 20.12 N ATOM 865 CA THR A 56 -16.172 -14.663 17.327 1.00 23.31 C ATOM 866 C THR A 56 -16.427 -15.885 18.225 1.00 12.22 C ATOM 867 O THR A 56 -16.760 -15.739 19.405 1.00 40.51 O ATOM 868 CB THR A 56 -17.355 -14.517 16.337 1.00 10.14 C ATOM 869 OG1 THR A 56 -18.599 -14.634 17.040 1.00 63.42 O ATOM 870 CG2 THR A 56 -17.291 -15.565 15.230 1.00 74.54 C ATOM 0 H THR A 56 -14.928 -14.509 15.632 1.00 20.12 H new ATOM 0 HA THR A 56 -16.112 -13.776 17.957 1.00 23.31 H new ATOM 0 HB THR A 56 -17.284 -13.532 15.876 1.00 10.14 H new ATOM 0 HG1 THR A 56 -19.342 -14.539 16.408 1.00 63.42 H new ATOM 0 HG21 THR A 56 -18.136 -15.433 14.554 1.00 74.54 H new ATOM 0 HG22 THR A 56 -16.360 -15.451 14.674 1.00 74.54 H new ATOM 0 HG23 THR A 56 -17.331 -16.562 15.670 1.00 74.54 H new ATOM 878 N SER A 57 -16.253 -17.085 17.672 1.00 60.33 N ATOM 879 CA SER A 57 -16.499 -18.330 18.419 1.00 13.53 C ATOM 880 C SER A 57 -15.473 -18.517 19.542 1.00 73.21 C ATOM 881 O SER A 57 -15.771 -19.096 20.591 1.00 61.24 O ATOM 882 CB SER A 57 -16.451 -19.543 17.476 1.00 71.20 C ATOM 883 OG SER A 57 -15.157 -19.717 16.911 1.00 63.44 O ATOM 0 H SER A 57 -15.943 -17.227 16.711 1.00 60.33 H new ATOM 0 HA SER A 57 -17.492 -18.255 18.863 1.00 13.53 H new ATOM 0 HB2 SER A 57 -16.733 -20.442 18.024 1.00 71.20 H new ATOM 0 HB3 SER A 57 -17.182 -19.413 16.678 1.00 71.20 H new ATOM 0 HG SER A 57 -14.827 -18.857 16.577 1.00 63.44 H new ATOM 889 N LYS A 58 -14.269 -18.003 19.322 1.00 11.11 N ATOM 890 CA LYS A 58 -13.159 -18.178 20.263 1.00 62.31 C ATOM 891 C LYS A 58 -13.187 -17.121 21.382 1.00 70.05 C ATOM 892 O LYS A 58 -12.394 -17.187 22.323 1.00 13.40 O ATOM 893 CB LYS A 58 -11.822 -18.099 19.509 1.00 65.20 C ATOM 894 CG LYS A 58 -11.819 -18.827 18.165 1.00 72.21 C ATOM 895 CD LYS A 58 -12.089 -20.325 18.302 1.00 15.20 C ATOM 896 CE LYS A 58 -10.923 -21.060 18.944 1.00 32.02 C ATOM 897 NZ LYS A 58 -11.123 -22.532 18.913 1.00 42.21 N ATOM 0 H LYS A 58 -14.031 -17.457 18.494 1.00 11.11 H new ATOM 0 HA LYS A 58 -13.267 -19.158 20.727 1.00 62.31 H new ATOM 0 HB2 LYS A 58 -11.572 -17.051 19.343 1.00 65.20 H new ATOM 0 HB3 LYS A 58 -11.037 -18.518 20.139 1.00 65.20 H new ATOM 0 HG2 LYS A 58 -12.574 -18.384 17.516 1.00 72.21 H new ATOM 0 HG3 LYS A 58 -10.855 -18.679 17.679 1.00 72.21 H new ATOM 0 HD2 LYS A 58 -12.987 -20.478 18.901 1.00 15.20 H new ATOM 0 HD3 LYS A 58 -12.286 -20.749 17.317 1.00 15.20 H new ATOM 0 HE2 LYS A 58 -10.000 -20.806 18.422 1.00 32.02 H new ATOM 0 HE3 LYS A 58 -10.807 -20.729 19.976 1.00 32.02 H new ATOM 0 HZ1 LYS A 58 -10.529 -22.979 19.640 1.00 42.21 H new ATOM 0 HZ2 LYS A 58 -12.122 -22.751 19.101 1.00 42.21 H new ATOM 0 HZ3 LYS A 58 -10.858 -22.899 17.976 1.00 42.21 H new ATOM 911 N ILE A 59 -14.085 -16.139 21.269 1.00 2.53 N ATOM 912 CA ILE A 59 -14.202 -15.065 22.268 1.00 61.12 C ATOM 913 C ILE A 59 -15.521 -15.151 23.058 1.00 72.32 C ATOM 914 O ILE A 59 -15.511 -15.284 24.284 1.00 45.02 O ATOM 915 CB ILE A 59 -14.086 -13.670 21.602 1.00 74.12 C ATOM 916 CG1 ILE A 59 -12.739 -13.548 20.863 1.00 64.02 C ATOM 917 CG2 ILE A 59 -14.242 -12.558 22.643 1.00 61.12 C ATOM 918 CD1 ILE A 59 -12.581 -12.265 20.071 1.00 60.43 C ATOM 0 H ILE A 59 -14.745 -16.062 20.495 1.00 2.53 H new ATOM 0 HA ILE A 59 -13.377 -15.199 22.968 1.00 61.12 H new ATOM 0 HB ILE A 59 -14.891 -13.561 20.875 1.00 74.12 H new ATOM 0 HG12 ILE A 59 -11.930 -13.615 21.591 1.00 64.02 H new ATOM 0 HG13 ILE A 59 -12.630 -14.396 20.186 1.00 64.02 H new ATOM 0 HG21 ILE A 59 -14.157 -11.587 22.154 1.00 61.12 H new ATOM 0 HG22 ILE A 59 -15.219 -12.640 23.120 1.00 61.12 H new ATOM 0 HG23 ILE A 59 -13.461 -12.654 23.397 1.00 61.12 H new ATOM 0 HD11 ILE A 59 -11.607 -12.257 19.581 1.00 60.43 H new ATOM 0 HD12 ILE A 59 -13.366 -12.203 19.318 1.00 60.43 H new ATOM 0 HD13 ILE A 59 -12.656 -11.411 20.744 1.00 60.43 H new ATOM 930 N GLY A 60 -16.647 -15.058 22.352 1.00 53.00 N ATOM 931 CA GLY A 60 -17.958 -15.181 22.989 1.00 22.23 C ATOM 932 C GLY A 60 -18.255 -14.099 24.039 1.00 22.24 C ATOM 933 O GLY A 60 -18.397 -12.923 23.697 1.00 12.34 O ATOM 0 H GLY A 60 -16.679 -14.899 21.345 1.00 53.00 H new ATOM 0 HA2 GLY A 60 -18.728 -15.144 22.219 1.00 22.23 H new ATOM 0 HA3 GLY A 60 -18.028 -16.160 23.463 1.00 22.23 H new ATOM 937 N PRO A 61 -18.365 -14.477 25.334 1.00 24.12 N ATOM 938 CA PRO A 61 -18.753 -13.546 26.415 1.00 63.14 C ATOM 939 C PRO A 61 -17.640 -12.569 26.849 1.00 10.12 C ATOM 940 O PRO A 61 -17.928 -11.478 27.343 1.00 52.01 O ATOM 941 CB PRO A 61 -19.109 -14.494 27.565 1.00 45.50 C ATOM 942 CG PRO A 61 -18.257 -15.696 27.339 1.00 44.13 C ATOM 943 CD PRO A 61 -18.139 -15.847 25.843 1.00 42.44 C ATOM 0 HA PRO A 61 -19.559 -12.886 26.093 1.00 63.14 H new ATOM 0 HB2 PRO A 61 -18.902 -14.038 28.533 1.00 45.50 H new ATOM 0 HB3 PRO A 61 -20.168 -14.751 27.553 1.00 45.50 H new ATOM 0 HG2 PRO A 61 -17.276 -15.570 27.797 1.00 44.13 H new ATOM 0 HG3 PRO A 61 -18.707 -16.583 27.786 1.00 44.13 H new ATOM 0 HD2 PRO A 61 -17.158 -16.225 25.555 1.00 42.44 H new ATOM 0 HD3 PRO A 61 -18.878 -16.547 25.452 1.00 42.44 H new ATOM 951 N GLY A 62 -16.376 -12.957 26.680 1.00 12.14 N ATOM 952 CA GLY A 62 -15.272 -12.091 27.099 1.00 35.43 C ATOM 953 C GLY A 62 -14.030 -12.852 27.563 1.00 44.31 C ATOM 954 O GLY A 62 -14.029 -14.082 27.639 1.00 24.41 O ATOM 0 H GLY A 62 -16.094 -13.845 26.265 1.00 12.14 H new ATOM 0 HA2 GLY A 62 -14.998 -11.440 26.269 1.00 35.43 H new ATOM 0 HA3 GLY A 62 -15.615 -11.447 27.909 1.00 35.43 H new ATOM 958 N VAL A 63 -12.968 -12.116 27.881 1.00 11.24 N ATOM 959 CA VAL A 63 -11.687 -12.716 28.271 1.00 71.42 C ATOM 960 C VAL A 63 -11.581 -12.926 29.792 1.00 63.33 C ATOM 961 O VAL A 63 -11.623 -11.966 30.562 1.00 1.51 O ATOM 962 CB VAL A 63 -10.495 -11.834 27.812 1.00 13.22 C ATOM 963 CG1 VAL A 63 -9.160 -12.532 28.081 1.00 1.01 C ATOM 964 CG2 VAL A 63 -10.630 -11.459 26.336 1.00 34.43 C ATOM 0 H VAL A 63 -12.966 -11.096 27.877 1.00 11.24 H new ATOM 0 HA VAL A 63 -11.645 -13.687 27.778 1.00 71.42 H new ATOM 0 HB VAL A 63 -10.514 -10.914 28.396 1.00 13.22 H new ATOM 0 HG11 VAL A 63 -8.342 -11.892 27.750 1.00 1.01 H new ATOM 0 HG12 VAL A 63 -9.060 -12.726 29.149 1.00 1.01 H new ATOM 0 HG13 VAL A 63 -9.126 -13.475 27.536 1.00 1.01 H new ATOM 0 HG21 VAL A 63 -9.783 -10.841 26.039 1.00 34.43 H new ATOM 0 HG22 VAL A 63 -10.648 -12.365 25.731 1.00 34.43 H new ATOM 0 HG23 VAL A 63 -11.555 -10.903 26.185 1.00 34.43 H new ATOM 974 N ARG A 64 -11.450 -14.187 30.220 1.00 71.31 N ATOM 975 CA ARG A 64 -11.138 -14.495 31.623 1.00 44.14 C ATOM 976 C ARG A 64 -9.614 -14.568 31.825 1.00 52.14 C ATOM 977 O ARG A 64 -9.043 -13.804 32.607 1.00 73.23 O ATOM 978 CB ARG A 64 -11.791 -15.819 32.057 1.00 35.42 C ATOM 979 CG ARG A 64 -11.311 -16.312 33.423 1.00 61.54 C ATOM 980 CD ARG A 64 -11.893 -17.675 33.786 1.00 21.15 C ATOM 981 NE ARG A 64 -11.105 -18.342 34.826 1.00 64.34 N ATOM 982 CZ ARG A 64 -11.597 -18.836 35.932 1.00 44.23 C ATOM 983 NH1 ARG A 64 -12.849 -18.698 36.224 1.00 71.11 N ATOM 984 NH2 ARG A 64 -10.821 -19.452 36.763 1.00 74.33 N ATOM 0 H ARG A 64 -11.554 -15.006 29.621 1.00 71.31 H new ATOM 0 HA ARG A 64 -11.543 -13.695 32.243 1.00 44.14 H new ATOM 0 HB2 ARG A 64 -12.873 -15.690 32.085 1.00 35.42 H new ATOM 0 HB3 ARG A 64 -11.580 -16.583 31.308 1.00 35.42 H new ATOM 0 HG2 ARG A 64 -10.223 -16.373 33.423 1.00 61.54 H new ATOM 0 HG3 ARG A 64 -11.589 -15.586 34.187 1.00 61.54 H new ATOM 0 HD2 ARG A 64 -12.920 -17.552 34.130 1.00 21.15 H new ATOM 0 HD3 ARG A 64 -11.928 -18.304 32.897 1.00 21.15 H new ATOM 0 HE ARG A 64 -10.100 -18.427 34.676 1.00 64.34 H new ATOM 0 HH11 ARG A 64 -13.469 -18.198 35.587 1.00 71.11 H new ATOM 0 HH12 ARG A 64 -13.217 -19.090 37.091 1.00 71.11 H new ATOM 0 HH21 ARG A 64 -9.827 -19.552 36.555 1.00 74.33 H new ATOM 0 HH22 ARG A 64 -11.202 -19.838 37.627 1.00 74.33 H new ATOM 998 N ASN A 65 -8.972 -15.501 31.113 1.00 34.44 N ATOM 999 CA ASN A 65 -7.509 -15.651 31.131 1.00 3.40 C ATOM 1000 C ASN A 65 -7.049 -16.660 30.062 1.00 14.10 C ATOM 1001 O ASN A 65 -7.852 -17.156 29.272 1.00 2.53 O ATOM 1002 CB ASN A 65 -7.011 -16.095 32.522 1.00 62.10 C ATOM 1003 CG ASN A 65 -7.501 -17.479 32.925 1.00 34.33 C ATOM 1004 OD1 ASN A 65 -8.540 -17.627 33.554 1.00 5.24 O ATOM 1005 ND2 ASN A 65 -6.750 -18.505 32.575 1.00 53.53 N ATOM 0 H ASN A 65 -9.448 -16.172 30.510 1.00 34.44 H new ATOM 0 HA ASN A 65 -7.076 -14.676 30.905 1.00 3.40 H new ATOM 0 HB2 ASN A 65 -5.921 -16.087 32.529 1.00 62.10 H new ATOM 0 HB3 ASN A 65 -7.340 -15.370 33.266 1.00 62.10 H new ATOM 0 HD21 ASN A 65 -7.030 -19.452 32.829 1.00 53.53 H new ATOM 0 HD22 ASN A 65 -5.889 -18.351 32.051 1.00 53.53 H new ATOM 1012 N PHE A 66 -5.750 -16.938 30.031 1.00 42.44 N ATOM 1013 CA PHE A 66 -5.192 -17.979 29.159 1.00 14.24 C ATOM 1014 C PHE A 66 -4.371 -18.982 29.984 1.00 33.10 C ATOM 1015 O PHE A 66 -3.874 -18.642 31.056 1.00 23.02 O ATOM 1016 CB PHE A 66 -4.315 -17.353 28.063 1.00 72.43 C ATOM 1017 CG PHE A 66 -5.085 -16.561 27.032 1.00 40.34 C ATOM 1018 CD1 PHE A 66 -5.483 -15.255 27.288 1.00 70.30 C ATOM 1019 CD2 PHE A 66 -5.405 -17.123 25.804 1.00 43.20 C ATOM 1020 CE1 PHE A 66 -6.185 -14.530 26.343 1.00 70.41 C ATOM 1021 CE2 PHE A 66 -6.105 -16.401 24.856 1.00 61.14 C ATOM 1022 CZ PHE A 66 -6.496 -15.102 25.126 1.00 72.35 C ATOM 0 H PHE A 66 -5.055 -16.456 30.602 1.00 42.44 H new ATOM 0 HA PHE A 66 -6.018 -18.507 28.683 1.00 14.24 H new ATOM 0 HB2 PHE A 66 -3.579 -16.700 28.531 1.00 72.43 H new ATOM 0 HB3 PHE A 66 -3.763 -18.146 27.558 1.00 72.43 H new ATOM 0 HD1 PHE A 66 -5.241 -14.800 28.237 1.00 70.30 H new ATOM 0 HD2 PHE A 66 -5.103 -18.137 25.587 1.00 43.20 H new ATOM 0 HE1 PHE A 66 -6.490 -13.516 26.557 1.00 70.41 H new ATOM 0 HE2 PHE A 66 -6.347 -16.851 23.904 1.00 61.14 H new ATOM 0 HZ PHE A 66 -7.043 -14.537 24.386 1.00 72.35 H new ATOM 1032 N GLU A 67 -4.240 -20.210 29.492 1.00 64.45 N ATOM 1033 CA GLU A 67 -3.484 -21.258 30.202 1.00 11.01 C ATOM 1034 C GLU A 67 -2.450 -21.928 29.280 1.00 74.11 C ATOM 1035 O GLU A 67 -2.665 -22.052 28.077 1.00 61.30 O ATOM 1036 CB GLU A 67 -4.454 -22.309 30.771 1.00 50.15 C ATOM 1037 CG GLU A 67 -3.776 -23.417 31.578 1.00 2.52 C ATOM 1038 CD GLU A 67 -4.769 -24.350 32.256 1.00 61.32 C ATOM 1039 OE1 GLU A 67 -5.258 -24.005 33.356 1.00 3.10 O ATOM 1040 OE2 GLU A 67 -5.061 -25.434 31.703 1.00 15.34 O ATOM 0 H GLU A 67 -4.644 -20.512 28.606 1.00 64.45 H new ATOM 0 HA GLU A 67 -2.941 -20.788 31.022 1.00 11.01 H new ATOM 0 HB2 GLU A 67 -5.184 -21.807 31.406 1.00 50.15 H new ATOM 0 HB3 GLU A 67 -5.006 -22.761 29.947 1.00 50.15 H new ATOM 0 HG2 GLU A 67 -3.132 -23.998 30.918 1.00 2.52 H new ATOM 0 HG3 GLU A 67 -3.133 -22.967 32.335 1.00 2.52 H new ATOM 1047 N VAL A 68 -1.323 -22.348 29.846 1.00 14.31 N ATOM 1048 CA VAL A 68 -0.260 -22.997 29.069 1.00 1.04 C ATOM 1049 C VAL A 68 -0.255 -24.517 29.280 1.00 54.03 C ATOM 1050 O VAL A 68 -0.085 -24.998 30.398 1.00 20.25 O ATOM 1051 CB VAL A 68 1.130 -22.426 29.441 1.00 51.10 C ATOM 1052 CG1 VAL A 68 2.245 -23.170 28.705 1.00 42.13 C ATOM 1053 CG2 VAL A 68 1.187 -20.930 29.143 1.00 43.11 C ATOM 0 H VAL A 68 -1.117 -22.253 30.841 1.00 14.31 H new ATOM 0 HA VAL A 68 -0.465 -22.789 28.019 1.00 1.04 H new ATOM 0 HB VAL A 68 1.283 -22.571 30.510 1.00 51.10 H new ATOM 0 HG11 VAL A 68 3.210 -22.748 28.985 1.00 42.13 H new ATOM 0 HG12 VAL A 68 2.218 -24.226 28.975 1.00 42.13 H new ATOM 0 HG13 VAL A 68 2.102 -23.067 27.629 1.00 42.13 H new ATOM 0 HG21 VAL A 68 2.170 -20.543 29.410 1.00 43.11 H new ATOM 0 HG22 VAL A 68 1.007 -20.763 28.081 1.00 43.11 H new ATOM 0 HG23 VAL A 68 0.424 -20.414 29.725 1.00 43.11 H new ATOM 1063 N ARG A 69 -0.447 -25.269 28.197 1.00 12.51 N ATOM 1064 CA ARG A 69 -0.418 -26.738 28.249 1.00 13.01 C ATOM 1065 C ARG A 69 0.412 -27.315 27.089 1.00 34.44 C ATOM 1066 O ARG A 69 0.925 -26.574 26.252 1.00 74.51 O ATOM 1067 CB ARG A 69 -1.846 -27.306 28.210 1.00 44.44 C ATOM 1068 CG ARG A 69 -2.719 -26.880 29.390 1.00 0.32 C ATOM 1069 CD ARG A 69 -4.076 -27.578 29.372 1.00 61.30 C ATOM 1070 NE ARG A 69 -3.938 -29.035 29.385 1.00 11.52 N ATOM 1071 CZ ARG A 69 -4.914 -29.874 29.163 1.00 2.02 C ATOM 1072 NH1 ARG A 69 -6.117 -29.448 28.936 1.00 13.14 N ATOM 1073 NH2 ARG A 69 -4.684 -31.146 29.170 1.00 53.21 N ATOM 0 H ARG A 69 -0.625 -24.888 27.268 1.00 12.51 H new ATOM 0 HA ARG A 69 0.053 -27.031 29.187 1.00 13.01 H new ATOM 0 HB2 ARG A 69 -2.326 -26.990 27.284 1.00 44.44 H new ATOM 0 HB3 ARG A 69 -1.792 -28.394 28.186 1.00 44.44 H new ATOM 0 HG2 ARG A 69 -2.205 -27.109 30.324 1.00 0.32 H new ATOM 0 HG3 ARG A 69 -2.865 -25.800 29.363 1.00 0.32 H new ATOM 0 HD2 ARG A 69 -4.660 -27.260 30.236 1.00 61.30 H new ATOM 0 HD3 ARG A 69 -4.630 -27.273 28.484 1.00 61.30 H new ATOM 0 HE ARG A 69 -3.015 -29.422 29.581 1.00 11.52 H new ATOM 0 HH11 ARG A 69 -6.311 -28.447 28.929 1.00 13.14 H new ATOM 0 HH12 ARG A 69 -6.870 -30.114 28.764 1.00 13.14 H new ATOM 0 HH21 ARG A 69 -3.742 -31.493 29.349 1.00 53.21 H new ATOM 0 HH22 ARG A 69 -5.445 -31.803 28.997 1.00 53.21 H new ATOM 1087 N SER A 70 0.546 -28.638 27.042 1.00 31.32 N ATOM 1088 CA SER A 70 1.328 -29.300 25.983 1.00 64.25 C ATOM 1089 C SER A 70 0.560 -29.351 24.652 1.00 35.43 C ATOM 1090 O SER A 70 -0.666 -29.238 24.623 1.00 72.13 O ATOM 1091 CB SER A 70 1.704 -30.726 26.406 1.00 35.11 C ATOM 1092 OG SER A 70 2.404 -30.733 27.641 1.00 13.11 O ATOM 0 H SER A 70 0.128 -29.277 27.718 1.00 31.32 H new ATOM 0 HA SER A 70 2.232 -28.709 25.835 1.00 64.25 H new ATOM 0 HB2 SER A 70 0.801 -31.331 26.494 1.00 35.11 H new ATOM 0 HB3 SER A 70 2.321 -31.185 25.634 1.00 35.11 H new ATOM 0 HG SER A 70 2.628 -31.655 27.885 1.00 13.11 H new ATOM 1162 N GLN A 76 4.500 -26.771 23.622 1.00 25.24 N ATOM 1163 CA GLN A 76 3.443 -26.132 24.416 1.00 12.43 C ATOM 1164 C GLN A 76 2.409 -25.423 23.523 1.00 75.23 C ATOM 1165 O GLN A 76 2.600 -25.297 22.314 1.00 42.12 O ATOM 1166 CB GLN A 76 4.071 -25.124 25.383 1.00 52.34 C ATOM 1167 CG GLN A 76 5.049 -25.744 26.373 1.00 3.01 C ATOM 1168 CD GLN A 76 5.869 -24.701 27.109 1.00 22.10 C ATOM 1169 OE1 GLN A 76 6.952 -24.328 26.676 1.00 64.43 O ATOM 1170 NE2 GLN A 76 5.354 -24.208 28.212 1.00 0.01 N ATOM 0 HA GLN A 76 2.921 -26.910 24.973 1.00 12.43 H new ATOM 0 HB2 GLN A 76 4.589 -24.358 24.807 1.00 52.34 H new ATOM 0 HB3 GLN A 76 3.277 -24.624 25.937 1.00 52.34 H new ATOM 0 HG2 GLN A 76 4.497 -26.345 27.096 1.00 3.01 H new ATOM 0 HG3 GLN A 76 5.719 -26.420 25.842 1.00 3.01 H new ATOM 0 HE21 GLN A 76 4.449 -24.541 28.546 1.00 0.01 H new ATOM 0 HE22 GLN A 76 5.859 -23.492 28.735 1.00 0.01 H new ATOM 1179 N CYS A 77 1.317 -24.957 24.132 1.00 22.04 N ATOM 1180 CA CYS A 77 0.259 -24.233 23.407 1.00 65.22 C ATOM 1181 C CYS A 77 -0.526 -23.304 24.347 1.00 50.32 C ATOM 1182 O CYS A 77 -0.532 -23.496 25.565 1.00 1.32 O ATOM 1183 CB CYS A 77 -0.708 -25.217 22.736 1.00 31.15 C ATOM 1184 SG CYS A 77 -1.611 -26.278 23.890 1.00 21.51 S ATOM 0 H CYS A 77 1.137 -25.066 25.130 1.00 22.04 H new ATOM 0 HA CYS A 77 0.744 -23.626 22.642 1.00 65.22 H new ATOM 0 HB2 CYS A 77 -1.426 -24.653 22.141 1.00 31.15 H new ATOM 0 HB3 CYS A 77 -0.146 -25.846 22.046 1.00 31.15 H new ATOM 0 HG CYS A 77 -2.413 -25.552 24.610 1.00 21.51 H new ATOM 1190 N PHE A 78 -1.186 -22.296 23.773 1.00 0.45 N ATOM 1191 CA PHE A 78 -2.003 -21.359 24.555 1.00 23.51 C ATOM 1192 C PHE A 78 -3.480 -21.786 24.577 1.00 23.31 C ATOM 1193 O PHE A 78 -4.073 -22.085 23.537 1.00 32.50 O ATOM 1194 CB PHE A 78 -1.883 -19.937 23.991 1.00 45.20 C ATOM 1195 CG PHE A 78 -0.516 -19.311 24.169 1.00 34.41 C ATOM 1196 CD1 PHE A 78 -0.111 -18.846 25.413 1.00 34.00 C ATOM 1197 CD2 PHE A 78 0.358 -19.180 23.096 1.00 24.41 C ATOM 1198 CE1 PHE A 78 1.132 -18.265 25.582 1.00 1.45 C ATOM 1199 CE2 PHE A 78 1.604 -18.598 23.263 1.00 53.21 C ATOM 1200 CZ PHE A 78 1.989 -18.140 24.507 1.00 4.42 C ATOM 0 H PHE A 78 -1.172 -22.106 22.771 1.00 0.45 H new ATOM 0 HA PHE A 78 -1.626 -21.372 25.578 1.00 23.51 H new ATOM 0 HB2 PHE A 78 -2.125 -19.958 22.928 1.00 45.20 H new ATOM 0 HB3 PHE A 78 -2.626 -19.303 24.474 1.00 45.20 H new ATOM 0 HD1 PHE A 78 -0.775 -18.939 26.259 1.00 34.00 H new ATOM 0 HD2 PHE A 78 0.062 -19.536 22.120 1.00 24.41 H new ATOM 0 HE1 PHE A 78 1.433 -17.909 26.556 1.00 1.45 H new ATOM 0 HE2 PHE A 78 2.273 -18.503 22.421 1.00 53.21 H new ATOM 0 HZ PHE A 78 2.959 -17.685 24.639 1.00 4.42 H new ATOM 1210 N TRP A 79 -4.062 -21.810 25.772 1.00 10.32 N ATOM 1211 CA TRP A 79 -5.465 -22.190 25.959 1.00 13.44 C ATOM 1212 C TRP A 79 -6.340 -20.977 26.309 1.00 72.11 C ATOM 1213 O TRP A 79 -5.950 -20.119 27.099 1.00 12.35 O ATOM 1214 CB TRP A 79 -5.583 -23.263 27.050 1.00 75.12 C ATOM 1215 CG TRP A 79 -5.121 -24.618 26.598 1.00 41.45 C ATOM 1216 CD1 TRP A 79 -3.851 -24.983 26.256 1.00 75.25 C ATOM 1217 CD2 TRP A 79 -5.934 -25.785 26.428 1.00 12.22 C ATOM 1218 NE1 TRP A 79 -3.827 -26.303 25.878 1.00 33.30 N ATOM 1219 CE2 TRP A 79 -5.092 -26.820 25.980 1.00 24.51 C ATOM 1220 CE3 TRP A 79 -7.292 -26.056 26.613 1.00 43.34 C ATOM 1221 CZ2 TRP A 79 -5.565 -28.103 25.713 1.00 42.11 C ATOM 1222 CZ3 TRP A 79 -7.761 -27.328 26.347 1.00 21.20 C ATOM 1223 CH2 TRP A 79 -6.899 -28.339 25.903 1.00 21.34 C ATOM 0 H TRP A 79 -3.579 -21.568 26.637 1.00 10.32 H new ATOM 0 HA TRP A 79 -5.827 -22.597 25.015 1.00 13.44 H new ATOM 0 HB2 TRP A 79 -4.997 -22.957 27.917 1.00 75.12 H new ATOM 0 HB3 TRP A 79 -6.621 -23.330 27.374 1.00 75.12 H new ATOM 0 HD1 TRP A 79 -2.991 -24.330 26.279 1.00 75.25 H new ATOM 0 HE1 TRP A 79 -3.001 -26.816 25.571 1.00 33.30 H new ATOM 0 HE3 TRP A 79 -7.964 -25.284 26.958 1.00 43.34 H new ATOM 0 HZ2 TRP A 79 -4.902 -28.883 25.368 1.00 42.11 H new ATOM 0 HZ3 TRP A 79 -8.810 -27.547 26.484 1.00 21.20 H new ATOM 0 HH2 TRP A 79 -7.295 -29.324 25.707 1.00 21.34 H new ATOM 1234 N ILE A 80 -7.530 -20.933 25.719 1.00 1.41 N ATOM 1235 CA ILE A 80 -8.460 -19.816 25.887 1.00 64.22 C ATOM 1236 C ILE A 80 -9.488 -20.082 27.005 1.00 63.32 C ATOM 1237 O ILE A 80 -10.348 -20.956 26.873 1.00 40.33 O ATOM 1238 CB ILE A 80 -9.220 -19.551 24.561 1.00 50.45 C ATOM 1239 CG1 ILE A 80 -8.230 -19.321 23.405 1.00 11.11 C ATOM 1240 CG2 ILE A 80 -10.159 -18.359 24.712 1.00 72.23 C ATOM 1241 CD1 ILE A 80 -8.888 -19.179 22.048 1.00 64.43 C ATOM 0 H ILE A 80 -7.880 -21.672 25.109 1.00 1.41 H new ATOM 0 HA ILE A 80 -7.867 -18.945 26.165 1.00 64.22 H new ATOM 0 HB ILE A 80 -9.819 -20.431 24.326 1.00 50.45 H new ATOM 0 HG12 ILE A 80 -7.649 -18.422 23.611 1.00 11.11 H new ATOM 0 HG13 ILE A 80 -7.527 -20.154 23.371 1.00 11.11 H new ATOM 0 HG21 ILE A 80 -10.684 -18.188 23.772 1.00 72.23 H new ATOM 0 HG22 ILE A 80 -10.884 -18.564 25.500 1.00 72.23 H new ATOM 0 HG23 ILE A 80 -9.582 -17.472 24.972 1.00 72.23 H new ATOM 0 HD11 ILE A 80 -8.123 -19.020 21.288 1.00 64.43 H new ATOM 0 HD12 ILE A 80 -9.446 -20.087 21.817 1.00 64.43 H new ATOM 0 HD13 ILE A 80 -9.569 -18.328 22.061 1.00 64.43 H new ATOM 1253 N LEU A 81 -9.394 -19.325 28.101 1.00 12.10 N ATOM 1254 CA LEU A 81 -10.369 -19.416 29.200 1.00 72.42 C ATOM 1255 C LEU A 81 -11.414 -18.292 29.102 1.00 24.33 C ATOM 1256 O LEU A 81 -11.081 -17.105 29.195 1.00 31.53 O ATOM 1257 CB LEU A 81 -9.662 -19.351 30.567 1.00 63.24 C ATOM 1258 CG LEU A 81 -8.901 -20.619 30.998 1.00 70.42 C ATOM 1259 CD1 LEU A 81 -9.854 -21.804 31.125 1.00 20.03 C ATOM 1260 CD2 LEU A 81 -7.758 -20.937 30.033 1.00 32.13 C ATOM 0 H LEU A 81 -8.653 -18.641 28.255 1.00 12.10 H new ATOM 0 HA LEU A 81 -10.877 -20.376 29.111 1.00 72.42 H new ATOM 0 HB2 LEU A 81 -8.959 -18.518 30.550 1.00 63.24 H new ATOM 0 HB3 LEU A 81 -10.408 -19.123 31.328 1.00 63.24 H new ATOM 0 HG LEU A 81 -8.462 -20.428 31.977 1.00 70.42 H new ATOM 0 HD11 LEU A 81 -9.296 -22.689 31.430 1.00 20.03 H new ATOM 0 HD12 LEU A 81 -10.616 -21.580 31.872 1.00 20.03 H new ATOM 0 HD13 LEU A 81 -10.332 -21.991 30.164 1.00 20.03 H new ATOM 0 HD21 LEU A 81 -7.241 -21.837 30.365 1.00 32.13 H new ATOM 0 HD22 LEU A 81 -8.160 -21.098 29.033 1.00 32.13 H new ATOM 0 HD23 LEU A 81 -7.057 -20.103 30.012 1.00 32.13 H new ATOM 1272 N ARG A 82 -12.677 -18.667 28.916 1.00 65.20 N ATOM 1273 CA ARG A 82 -13.764 -17.692 28.784 1.00 63.13 C ATOM 1274 C ARG A 82 -14.620 -17.605 30.055 1.00 72.22 C ATOM 1275 O ARG A 82 -14.786 -18.587 30.778 1.00 15.41 O ATOM 1276 CB ARG A 82 -14.636 -18.036 27.567 1.00 14.42 C ATOM 1277 CG ARG A 82 -13.898 -17.886 26.238 1.00 61.53 C ATOM 1278 CD ARG A 82 -13.315 -16.484 26.090 1.00 5.12 C ATOM 1279 NE ARG A 82 -12.531 -16.320 24.873 1.00 41.44 N ATOM 1280 CZ ARG A 82 -11.694 -15.341 24.675 1.00 22.54 C ATOM 1281 NH1 ARG A 82 -11.540 -14.419 25.566 1.00 70.34 N ATOM 1282 NH2 ARG A 82 -11.025 -15.283 23.574 1.00 53.11 N ATOM 0 H ARG A 82 -12.977 -19.640 28.853 1.00 65.20 H new ATOM 0 HA ARG A 82 -13.312 -16.711 28.636 1.00 63.13 H new ATOM 0 HB2 ARG A 82 -14.994 -19.061 27.663 1.00 14.42 H new ATOM 0 HB3 ARG A 82 -15.514 -17.390 27.563 1.00 14.42 H new ATOM 0 HG2 ARG A 82 -13.098 -18.624 26.177 1.00 61.53 H new ATOM 0 HG3 ARG A 82 -14.582 -18.088 25.414 1.00 61.53 H new ATOM 0 HD2 ARG A 82 -14.127 -15.757 26.094 1.00 5.12 H new ATOM 0 HD3 ARG A 82 -12.686 -16.265 26.953 1.00 5.12 H new ATOM 0 HE ARG A 82 -12.644 -17.012 24.132 1.00 41.44 H new ATOM 0 HH11 ARG A 82 -12.076 -14.453 26.433 1.00 70.34 H new ATOM 0 HH12 ARG A 82 -10.883 -13.656 25.402 1.00 70.34 H new ATOM 0 HH21 ARG A 82 -11.152 -16.002 22.862 1.00 53.11 H new ATOM 0 HH22 ARG A 82 -10.369 -14.518 23.416 1.00 53.11 H new ATOM 1296 N THR A 83 -15.168 -16.413 30.306 1.00 22.12 N ATOM 1297 CA THR A 83 -15.998 -16.148 31.496 1.00 41.12 C ATOM 1298 C THR A 83 -17.185 -17.116 31.599 1.00 55.11 C ATOM 1299 O THR A 83 -17.665 -17.410 32.693 1.00 3.24 O ATOM 1300 CB THR A 83 -16.542 -14.701 31.480 1.00 65.24 C ATOM 1301 OG1 THR A 83 -17.334 -14.494 30.302 1.00 34.32 O ATOM 1302 CG2 THR A 83 -15.403 -13.685 31.511 1.00 55.32 C ATOM 0 H THR A 83 -15.053 -15.604 29.696 1.00 22.12 H new ATOM 0 HA THR A 83 -15.350 -16.293 32.360 1.00 41.12 H new ATOM 0 HB THR A 83 -17.156 -14.559 32.369 1.00 65.24 H new ATOM 0 HG1 THR A 83 -17.678 -13.577 30.296 1.00 34.32 H new ATOM 0 HG21 THR A 83 -15.815 -12.676 31.499 1.00 55.32 H new ATOM 0 HG22 THR A 83 -14.814 -13.826 32.418 1.00 55.32 H new ATOM 0 HG23 THR A 83 -14.765 -13.827 30.639 1.00 55.32 H new ATOM 1310 N ASP A 84 -17.651 -17.603 30.451 1.00 1.10 N ATOM 1311 CA ASP A 84 -18.719 -18.608 30.395 1.00 20.34 C ATOM 1312 C ASP A 84 -18.370 -19.863 31.221 1.00 32.13 C ATOM 1313 O ASP A 84 -19.249 -20.501 31.807 1.00 4.53 O ATOM 1314 CB ASP A 84 -18.973 -18.993 28.931 1.00 40.22 C ATOM 1315 CG ASP A 84 -19.950 -20.145 28.786 1.00 2.13 C ATOM 1316 OD1 ASP A 84 -21.159 -19.935 29.003 1.00 14.44 O ATOM 1317 OD2 ASP A 84 -19.512 -21.266 28.440 1.00 43.44 O ATOM 0 H ASP A 84 -17.303 -17.316 29.536 1.00 1.10 H new ATOM 0 HA ASP A 84 -19.620 -18.174 30.829 1.00 20.34 H new ATOM 0 HB2 ASP A 84 -19.358 -18.126 28.394 1.00 40.22 H new ATOM 0 HB3 ASP A 84 -18.027 -19.264 28.462 1.00 40.22 H new ATOM 1322 N GLY A 85 -17.084 -20.206 31.262 1.00 1.22 N ATOM 1323 CA GLY A 85 -16.640 -21.406 31.966 1.00 32.43 C ATOM 1324 C GLY A 85 -15.983 -22.420 31.035 1.00 53.10 C ATOM 1325 O GLY A 85 -15.146 -23.219 31.461 1.00 53.24 O ATOM 0 H GLY A 85 -16.336 -19.673 30.819 1.00 1.22 H new ATOM 0 HA2 GLY A 85 -15.934 -21.125 32.748 1.00 32.43 H new ATOM 0 HA3 GLY A 85 -17.494 -21.871 32.460 1.00 32.43 H new ATOM 1329 N SER A 86 -16.367 -22.390 29.758 1.00 11.45 N ATOM 1330 CA SER A 86 -15.782 -23.278 28.741 1.00 5.44 C ATOM 1331 C SER A 86 -14.357 -22.839 28.362 1.00 1.31 C ATOM 1332 O SER A 86 -13.988 -21.671 28.525 1.00 1.42 O ATOM 1333 CB SER A 86 -16.673 -23.314 27.486 1.00 12.22 C ATOM 1334 OG SER A 86 -16.932 -22.006 26.991 1.00 73.31 O ATOM 0 H SER A 86 -17.083 -21.759 29.398 1.00 11.45 H new ATOM 0 HA SER A 86 -15.724 -24.279 29.169 1.00 5.44 H new ATOM 0 HB2 SER A 86 -16.188 -23.908 26.711 1.00 12.22 H new ATOM 0 HB3 SER A 86 -17.616 -23.808 27.722 1.00 12.22 H new ATOM 0 HG SER A 86 -17.755 -21.661 27.395 1.00 73.31 H new ATOM 1340 N GLU A 87 -13.553 -23.784 27.862 1.00 22.32 N ATOM 1341 CA GLU A 87 -12.165 -23.495 27.480 1.00 55.21 C ATOM 1342 C GLU A 87 -11.765 -24.190 26.167 1.00 61.04 C ATOM 1343 O GLU A 87 -12.231 -25.288 25.857 1.00 2.10 O ATOM 1344 CB GLU A 87 -11.193 -23.919 28.597 1.00 33.34 C ATOM 1345 CG GLU A 87 -11.118 -25.427 28.857 1.00 4.14 C ATOM 1346 CD GLU A 87 -12.397 -26.016 29.444 1.00 4.15 C ATOM 1347 OE1 GLU A 87 -12.551 -26.002 30.685 1.00 55.10 O ATOM 1348 OE2 GLU A 87 -13.245 -26.510 28.672 1.00 34.02 O ATOM 0 H GLU A 87 -13.838 -24.752 27.713 1.00 22.32 H new ATOM 0 HA GLU A 87 -12.102 -22.418 27.326 1.00 55.21 H new ATOM 0 HB2 GLU A 87 -10.195 -23.560 28.345 1.00 33.34 H new ATOM 0 HB3 GLU A 87 -11.487 -23.421 29.521 1.00 33.34 H new ATOM 0 HG2 GLU A 87 -10.891 -25.937 27.921 1.00 4.14 H new ATOM 0 HG3 GLU A 87 -10.291 -25.628 29.538 1.00 4.14 H new ATOM 1355 N GLU A 88 -10.889 -23.539 25.406 1.00 61.34 N ATOM 1356 CA GLU A 88 -10.336 -24.111 24.167 1.00 43.22 C ATOM 1357 C GLU A 88 -8.819 -23.883 24.093 1.00 70.11 C ATOM 1358 O GLU A 88 -8.201 -23.440 25.055 1.00 52.35 O ATOM 1359 CB GLU A 88 -10.995 -23.485 22.923 1.00 51.52 C ATOM 1360 CG GLU A 88 -12.474 -23.818 22.742 1.00 72.43 C ATOM 1361 CD GLU A 88 -12.999 -23.372 21.385 1.00 14.34 C ATOM 1362 OE1 GLU A 88 -12.834 -24.125 20.399 1.00 24.21 O ATOM 1363 OE2 GLU A 88 -13.551 -22.259 21.285 1.00 51.41 O ATOM 0 H GLU A 88 -10.540 -22.605 25.623 1.00 61.34 H new ATOM 0 HA GLU A 88 -10.545 -25.181 24.183 1.00 43.22 H new ATOM 0 HB2 GLU A 88 -10.886 -22.402 22.978 1.00 51.52 H new ATOM 0 HB3 GLU A 88 -10.452 -23.815 22.037 1.00 51.52 H new ATOM 0 HG2 GLU A 88 -12.619 -24.893 22.851 1.00 72.43 H new ATOM 0 HG3 GLU A 88 -13.053 -23.337 23.530 1.00 72.43 H new ATOM 1370 N ARG A 89 -8.225 -24.201 22.949 1.00 24.25 N ATOM 1371 CA ARG A 89 -6.817 -23.877 22.681 1.00 32.00 C ATOM 1372 C ARG A 89 -6.646 -23.431 21.222 1.00 41.11 C ATOM 1373 O ARG A 89 -7.585 -23.529 20.428 1.00 55.34 O ATOM 1374 CB ARG A 89 -5.921 -25.097 22.950 1.00 34.51 C ATOM 1375 CG ARG A 89 -6.025 -26.176 21.879 1.00 51.24 C ATOM 1376 CD ARG A 89 -5.109 -27.363 22.152 1.00 60.35 C ATOM 1377 NE ARG A 89 -4.941 -28.187 20.958 1.00 73.23 N ATOM 1378 CZ ARG A 89 -4.826 -29.484 20.953 1.00 65.44 C ATOM 1379 NH1 ARG A 89 -4.898 -30.166 22.052 1.00 24.52 N ATOM 1380 NH2 ARG A 89 -4.645 -30.097 19.832 1.00 41.45 N ATOM 0 H ARG A 89 -8.694 -24.686 22.184 1.00 24.25 H new ATOM 0 HA ARG A 89 -6.521 -23.066 23.346 1.00 32.00 H new ATOM 0 HB2 ARG A 89 -4.885 -24.768 23.023 1.00 34.51 H new ATOM 0 HB3 ARG A 89 -6.187 -25.528 23.915 1.00 34.51 H new ATOM 0 HG2 ARG A 89 -7.056 -26.524 21.818 1.00 51.24 H new ATOM 0 HG3 ARG A 89 -5.776 -25.745 20.909 1.00 51.24 H new ATOM 0 HD2 ARG A 89 -4.136 -27.005 22.490 1.00 60.35 H new ATOM 0 HD3 ARG A 89 -5.524 -27.968 22.959 1.00 60.35 H new ATOM 0 HE ARG A 89 -4.911 -27.709 20.057 1.00 73.23 H new ATOM 0 HH11 ARG A 89 -5.047 -29.687 22.940 1.00 24.52 H new ATOM 0 HH12 ARG A 89 -4.806 -31.182 22.029 1.00 24.52 H new ATOM 0 HH21 ARG A 89 -4.593 -29.566 18.963 1.00 41.45 H new ATOM 0 HH22 ARG A 89 -4.553 -31.113 19.815 1.00 41.45 H new ATOM 1394 N PHE A 90 -5.458 -22.946 20.865 1.00 64.01 N ATOM 1395 CA PHE A 90 -5.155 -22.634 19.460 1.00 15.32 C ATOM 1396 C PHE A 90 -3.650 -22.756 19.158 1.00 52.23 C ATOM 1397 O PHE A 90 -2.808 -22.199 19.867 1.00 73.44 O ATOM 1398 CB PHE A 90 -5.683 -21.238 19.069 1.00 42.14 C ATOM 1399 CG PHE A 90 -5.030 -20.077 19.783 1.00 4.52 C ATOM 1400 CD1 PHE A 90 -5.360 -19.773 21.096 1.00 40.41 C ATOM 1401 CD2 PHE A 90 -4.103 -19.276 19.129 1.00 33.24 C ATOM 1402 CE1 PHE A 90 -4.779 -18.697 21.741 1.00 54.42 C ATOM 1403 CE2 PHE A 90 -3.517 -18.202 19.771 1.00 64.14 C ATOM 1404 CZ PHE A 90 -3.856 -17.911 21.078 1.00 12.32 C ATOM 0 H PHE A 90 -4.695 -22.761 21.516 1.00 64.01 H new ATOM 0 HA PHE A 90 -5.673 -23.374 18.850 1.00 15.32 H new ATOM 0 HB2 PHE A 90 -5.549 -21.105 17.996 1.00 42.14 H new ATOM 0 HB3 PHE A 90 -6.755 -21.206 19.263 1.00 42.14 H new ATOM 0 HD1 PHE A 90 -6.079 -20.384 21.620 1.00 40.41 H new ATOM 0 HD2 PHE A 90 -3.837 -19.495 18.106 1.00 33.24 H new ATOM 0 HE1 PHE A 90 -5.046 -18.471 22.763 1.00 54.42 H new ATOM 0 HE2 PHE A 90 -2.794 -17.590 19.251 1.00 64.14 H new ATOM 0 HZ PHE A 90 -3.400 -17.071 21.581 1.00 12.32 H new ATOM 1414 N SER A 91 -3.321 -23.504 18.105 1.00 40.21 N ATOM 1415 CA SER A 91 -1.925 -23.690 17.688 1.00 54.43 C ATOM 1416 C SER A 91 -1.466 -22.546 16.772 1.00 72.01 C ATOM 1417 O SER A 91 -1.692 -22.577 15.562 1.00 42.22 O ATOM 1418 CB SER A 91 -1.746 -25.037 16.963 1.00 11.41 C ATOM 1419 OG SER A 91 -2.092 -26.136 17.797 1.00 21.54 O ATOM 0 H SER A 91 -4.001 -23.993 17.522 1.00 40.21 H new ATOM 0 HA SER A 91 -1.310 -23.687 18.588 1.00 54.43 H new ATOM 0 HB2 SER A 91 -2.365 -25.052 16.066 1.00 11.41 H new ATOM 0 HB3 SER A 91 -0.711 -25.140 16.637 1.00 11.41 H new ATOM 0 HG SER A 91 -1.968 -26.973 17.303 1.00 21.54 H new ATOM 1425 N TYR A 92 -0.822 -21.540 17.362 1.00 63.12 N ATOM 1426 CA TYR A 92 -0.338 -20.360 16.621 1.00 31.42 C ATOM 1427 C TYR A 92 0.542 -20.737 15.406 1.00 64.32 C ATOM 1428 O TYR A 92 0.584 -20.015 14.406 1.00 62.03 O ATOM 1429 CB TYR A 92 0.437 -19.436 17.577 1.00 43.41 C ATOM 1430 CG TYR A 92 1.653 -20.089 18.221 1.00 35.31 C ATOM 1431 CD1 TYR A 92 1.524 -20.896 19.349 1.00 13.53 C ATOM 1432 CD2 TYR A 92 2.929 -19.902 17.697 1.00 51.21 C ATOM 1433 CE1 TYR A 92 2.626 -21.495 19.931 1.00 62.05 C ATOM 1434 CE2 TYR A 92 4.034 -20.496 18.275 1.00 13.54 C ATOM 1435 CZ TYR A 92 3.879 -21.291 19.390 1.00 31.03 C ATOM 1436 OH TYR A 92 4.979 -21.885 19.963 1.00 24.34 O ATOM 0 H TYR A 92 -0.618 -21.513 18.361 1.00 63.12 H new ATOM 0 HA TYR A 92 -1.210 -19.840 16.225 1.00 31.42 H new ATOM 0 HB2 TYR A 92 0.761 -18.552 17.028 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -0.238 -19.095 18.362 1.00 43.41 H new ATOM 0 HD1 TYR A 92 0.545 -21.057 19.777 1.00 13.53 H new ATOM 0 HD2 TYR A 92 3.057 -19.281 16.823 1.00 51.21 H new ATOM 0 HE1 TYR A 92 2.507 -22.119 20.804 1.00 62.05 H new ATOM 0 HE2 TYR A 92 5.016 -20.338 17.855 1.00 13.54 H new ATOM 0 HH TYR A 92 5.783 -21.640 19.459 1.00 24.34 H new ATOM 1446 N LYS A 93 1.232 -21.875 15.498 1.00 45.53 N ATOM 1447 CA LYS A 93 2.116 -22.355 14.421 1.00 60.33 C ATOM 1448 C LYS A 93 1.339 -22.777 13.157 1.00 64.20 C ATOM 1449 O LYS A 93 1.896 -22.806 12.057 1.00 21.32 O ATOM 1450 CB LYS A 93 2.956 -23.536 14.931 1.00 52.40 C ATOM 1451 CG LYS A 93 2.115 -24.688 15.477 1.00 73.13 C ATOM 1452 CD LYS A 93 2.970 -25.842 15.997 1.00 5.44 C ATOM 1453 CE LYS A 93 3.739 -26.542 14.883 1.00 41.11 C ATOM 1454 NZ LYS A 93 4.449 -27.751 15.382 1.00 73.35 N ATOM 0 H LYS A 93 1.198 -22.489 16.312 1.00 45.53 H new ATOM 0 HA LYS A 93 2.762 -21.524 14.139 1.00 60.33 H new ATOM 0 HB2 LYS A 93 3.581 -23.906 14.118 1.00 52.40 H new ATOM 0 HB3 LYS A 93 3.627 -23.183 15.714 1.00 52.40 H new ATOM 0 HG2 LYS A 93 1.479 -24.320 16.282 1.00 73.13 H new ATOM 0 HG3 LYS A 93 1.454 -25.055 14.692 1.00 73.13 H new ATOM 0 HD2 LYS A 93 3.674 -25.464 16.739 1.00 5.44 H new ATOM 0 HD3 LYS A 93 2.331 -26.565 16.504 1.00 5.44 H new ATOM 0 HE2 LYS A 93 3.050 -26.827 14.088 1.00 41.11 H new ATOM 0 HE3 LYS A 93 4.460 -25.850 14.448 1.00 41.11 H new ATOM 0 HZ1 LYS A 93 4.961 -28.201 14.597 1.00 73.35 H new ATOM 0 HZ2 LYS A 93 5.124 -27.476 16.123 1.00 73.35 H new ATOM 0 HZ3 LYS A 93 3.758 -28.422 15.775 1.00 73.35 H new