USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 82 SER OG : rot 180:sc= -0.257 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -7.71! C(o=-8!,f=-8.5!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -161:sc= 0.0114 (180deg=0) USER MOD Set 2.2: A 9 SER OG : rot 141:sc= 1.11 USER MOD Set 2.3: A 51 ASN : amide:sc= -0.221 X(o=0.9,f=1.2) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -5.75! C(o=-6.2!,f=-1.5!) USER MOD Set 3.2: A 40 SER OG : rot -165:sc= 0.347 USER MOD Set 3.3: A 45 SER OG : rot -178:sc= -0.798 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -125:sc= -2.62! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 169:sc= 0 (180deg=-0.0825) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= -0.0836 (180deg=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.671 K(o=-0.67,f=-0.088) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= -0.0103 (180deg=-0.0103) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0404) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.735 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00285) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0588 (180deg=-0.434) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.772 7.846 -7.347 1.00 32.15 N ATOM 48 CA LYS A 5 -3.038 8.561 -7.454 1.00 74.20 C ATOM 49 C LYS A 5 -4.028 8.078 -6.400 1.00 3.05 C ATOM 50 O LYS A 5 -3.865 6.998 -5.831 1.00 75.20 O ATOM 51 CB LYS A 5 -3.634 8.376 -8.852 1.00 35.32 C ATOM 52 CG LYS A 5 -3.209 7.084 -9.527 1.00 73.32 C ATOM 53 CD LYS A 5 -3.842 6.938 -10.901 1.00 40.20 C ATOM 54 CE LYS A 5 -3.074 7.723 -11.954 1.00 34.42 C ATOM 55 NZ LYS A 5 -3.462 7.323 -13.336 1.00 23.34 N ATOM 0 HA LYS A 5 -2.844 9.620 -7.285 1.00 74.20 H new ATOM 0 HB2 LYS A 5 -4.721 8.398 -8.780 1.00 35.32 H new ATOM 0 HB3 LYS A 5 -3.339 9.218 -9.478 1.00 35.32 H new ATOM 0 HG2 LYS A 5 -2.123 7.062 -9.621 1.00 73.32 H new ATOM 0 HG3 LYS A 5 -3.492 6.236 -8.903 1.00 73.32 H new ATOM 0 HD2 LYS A 5 -3.871 5.885 -11.180 1.00 40.20 H new ATOM 0 HD3 LYS A 5 -4.874 7.287 -10.866 1.00 40.20 H new ATOM 0 HE2 LYS A 5 -3.258 8.789 -11.819 1.00 34.42 H new ATOM 0 HE3 LYS A 5 -2.004 7.565 -11.817 1.00 34.42 H new ATOM 0 HZ1 LYS A 5 -2.917 7.880 -14.025 1.00 23.34 H new ATOM 0 HZ2 LYS A 5 -3.263 6.312 -13.474 1.00 23.34 H new ATOM 0 HZ3 LYS A 5 -4.478 7.498 -13.476 1.00 23.34 H new ATOM 69 N ILE A 6 -5.054 8.883 -6.144 1.00 63.20 N ATOM 70 CA ILE A 6 -6.070 8.535 -5.159 1.00 55.13 C ATOM 71 C ILE A 6 -7.417 9.157 -5.516 1.00 64.02 C ATOM 72 O ILE A 6 -7.479 10.181 -6.195 1.00 54.30 O ATOM 73 CB ILE A 6 -5.665 8.993 -3.745 1.00 71.04 C ATOM 74 CG1 ILE A 6 -5.443 10.506 -3.719 1.00 54.22 C ATOM 75 CG2 ILE A 6 -4.410 8.260 -3.291 1.00 15.51 C ATOM 76 CD1 ILE A 6 -5.681 11.129 -2.362 1.00 21.42 C ATOM 0 H ILE A 6 -5.203 9.780 -6.605 1.00 63.20 H new ATOM 0 HA ILE A 6 -6.159 7.449 -5.168 1.00 55.13 H new ATOM 0 HB ILE A 6 -6.474 8.752 -3.055 1.00 71.04 H new ATOM 0 HG12 ILE A 6 -4.422 10.721 -4.034 1.00 54.22 H new ATOM 0 HG13 ILE A 6 -6.106 10.975 -4.446 1.00 54.22 H new ATOM 0 HG21 ILE A 6 -4.136 8.594 -2.290 1.00 15.51 H new ATOM 0 HG22 ILE A 6 -4.601 7.187 -3.276 1.00 15.51 H new ATOM 0 HG23 ILE A 6 -3.594 8.474 -3.981 1.00 15.51 H new ATOM 0 HD11 ILE A 6 -5.505 12.203 -2.419 1.00 21.42 H new ATOM 0 HD12 ILE A 6 -6.710 10.946 -2.053 1.00 21.42 H new ATOM 0 HD13 ILE A 6 -5.000 10.688 -1.635 1.00 21.42 H new ATOM 88 N LYS A 7 -8.493 8.531 -5.052 1.00 22.35 N ATOM 89 CA LYS A 7 -9.839 9.022 -5.319 1.00 3.33 C ATOM 90 C LYS A 7 -10.150 10.247 -4.465 1.00 2.44 C ATOM 91 O LYS A 7 -9.714 10.341 -3.316 1.00 15.52 O ATOM 92 CB LYS A 7 -10.868 7.923 -5.046 1.00 73.01 C ATOM 93 CG LYS A 7 -11.701 7.555 -6.262 1.00 21.25 C ATOM 94 CD LYS A 7 -13.022 6.921 -5.862 1.00 75.00 C ATOM 95 CE LYS A 7 -14.206 7.720 -6.386 1.00 12.34 C ATOM 96 NZ LYS A 7 -14.623 7.268 -7.742 1.00 34.12 N ATOM 0 H LYS A 7 -8.459 7.681 -4.488 1.00 22.35 H new ATOM 0 HA LYS A 7 -9.893 9.309 -6.369 1.00 3.33 H new ATOM 0 HB2 LYS A 7 -10.351 7.033 -4.688 1.00 73.01 H new ATOM 0 HB3 LYS A 7 -11.532 8.249 -4.246 1.00 73.01 H new ATOM 0 HG2 LYS A 7 -11.891 8.448 -6.858 1.00 21.25 H new ATOM 0 HG3 LYS A 7 -11.141 6.864 -6.892 1.00 21.25 H new ATOM 0 HD2 LYS A 7 -13.070 5.903 -6.248 1.00 75.00 H new ATOM 0 HD3 LYS A 7 -13.080 6.853 -4.776 1.00 75.00 H new ATOM 0 HE2 LYS A 7 -15.044 7.621 -5.696 1.00 12.34 H new ATOM 0 HE3 LYS A 7 -13.944 8.777 -6.420 1.00 12.34 H new ATOM 0 HZ1 LYS A 7 -15.193 8.010 -8.195 1.00 34.12 H new ATOM 0 HZ2 LYS A 7 -13.779 7.078 -8.319 1.00 34.12 H new ATOM 0 HZ3 LYS A 7 -15.189 6.399 -7.660 1.00 34.12 H new ATOM 110 N CYS A 8 -10.905 11.181 -5.031 1.00 62.11 N ATOM 111 CA CYS A 8 -11.274 12.400 -4.321 1.00 13.32 C ATOM 112 C CYS A 8 -12.232 13.246 -5.153 1.00 50.32 C ATOM 113 O CYS A 8 -12.339 13.067 -6.367 1.00 12.51 O ATOM 114 CB CYS A 8 -10.025 13.212 -3.975 1.00 12.53 C ATOM 115 SG CYS A 8 -9.082 13.765 -5.416 1.00 53.31 S ATOM 0 H CYS A 8 -11.274 11.118 -5.980 1.00 62.11 H new ATOM 0 HA CYS A 8 -11.779 12.114 -3.398 1.00 13.32 H new ATOM 0 HB2 CYS A 8 -10.321 14.084 -3.392 1.00 12.53 H new ATOM 0 HB3 CYS A 8 -9.377 12.609 -3.340 1.00 12.53 H new ATOM 0 HG CYS A 8 -7.848 13.371 -5.304 1.00 53.31 H new ATOM 121 N SER A 9 -12.928 14.167 -4.494 1.00 45.11 N ATOM 122 CA SER A 9 -13.880 15.037 -5.172 1.00 74.01 C ATOM 123 C SER A 9 -13.497 16.503 -4.998 1.00 52.32 C ATOM 124 O SER A 9 -12.402 16.820 -4.534 1.00 24.22 O ATOM 125 CB SER A 9 -15.292 14.800 -4.634 1.00 14.30 C ATOM 126 OG SER A 9 -15.644 13.429 -4.708 1.00 65.11 O ATOM 0 H SER A 9 -12.850 14.330 -3.490 1.00 45.11 H new ATOM 0 HA SER A 9 -13.859 14.798 -6.235 1.00 74.01 H new ATOM 0 HB2 SER A 9 -15.352 15.138 -3.600 1.00 14.30 H new ATOM 0 HB3 SER A 9 -16.006 15.393 -5.205 1.00 14.30 H new ATOM 0 HG SER A 9 -16.143 13.176 -3.904 1.00 65.11 H new ATOM 132 N HIS A 10 -14.407 17.395 -5.375 1.00 54.51 N ATOM 133 CA HIS A 10 -14.166 18.829 -5.261 1.00 10.30 C ATOM 134 C HIS A 10 -15.443 19.619 -5.533 1.00 71.13 C ATOM 135 O HIS A 10 -16.277 19.208 -6.341 1.00 12.13 O ATOM 136 CB HIS A 10 -13.068 19.262 -6.233 1.00 12.53 C ATOM 137 CG HIS A 10 -13.369 18.933 -7.662 1.00 22.12 C ATOM 138 ND1 HIS A 10 -13.536 19.893 -8.636 1.00 43.34 N ATOM 139 CD2 HIS A 10 -13.531 17.740 -8.280 1.00 70.42 C ATOM 140 CE1 HIS A 10 -13.789 19.306 -9.792 1.00 70.25 C ATOM 141 NE2 HIS A 10 -13.791 17.998 -9.603 1.00 13.32 N ATOM 0 H HIS A 10 -15.318 17.150 -5.762 1.00 54.51 H new ATOM 0 HA HIS A 10 -13.842 19.037 -4.241 1.00 10.30 H new ATOM 0 HB2 HIS A 10 -12.916 20.337 -6.141 1.00 12.53 H new ATOM 0 HB3 HIS A 10 -12.132 18.782 -5.948 1.00 12.53 H new ATOM 0 HD2 HIS A 10 -13.468 16.766 -7.818 1.00 70.42 H new ATOM 0 HE1 HIS A 10 -13.964 19.809 -10.731 1.00 70.25 H new ATOM 0 HE2 HIS A 10 -13.958 17.295 -10.323 1.00 13.32 H new ATOM 149 N ILE A 11 -15.588 20.753 -4.856 1.00 22.34 N ATOM 150 CA ILE A 11 -16.763 21.598 -5.025 1.00 73.11 C ATOM 151 C ILE A 11 -16.401 23.074 -4.893 1.00 51.14 C ATOM 152 O ILE A 11 -15.822 23.495 -3.892 1.00 2.40 O ATOM 153 CB ILE A 11 -17.857 21.256 -3.997 1.00 63.11 C ATOM 154 CG1 ILE A 11 -18.369 19.830 -4.220 1.00 51.44 C ATOM 155 CG2 ILE A 11 -19.001 22.255 -4.087 1.00 50.13 C ATOM 156 CD1 ILE A 11 -19.310 19.350 -3.137 1.00 64.14 C ATOM 0 H ILE A 11 -14.906 21.108 -4.185 1.00 22.34 H new ATOM 0 HA ILE A 11 -17.147 21.407 -6.027 1.00 73.11 H new ATOM 0 HB ILE A 11 -17.427 21.316 -2.997 1.00 63.11 H new ATOM 0 HG12 ILE A 11 -18.880 19.782 -5.182 1.00 51.44 H new ATOM 0 HG13 ILE A 11 -17.518 19.152 -4.277 1.00 51.44 H new ATOM 0 HG21 ILE A 11 -19.766 21.999 -3.354 1.00 50.13 H new ATOM 0 HG22 ILE A 11 -18.625 23.258 -3.884 1.00 50.13 H new ATOM 0 HG23 ILE A 11 -19.433 22.225 -5.087 1.00 50.13 H new ATOM 0 HD11 ILE A 11 -19.633 18.333 -3.360 1.00 64.14 H new ATOM 0 HD12 ILE A 11 -18.796 19.365 -2.176 1.00 64.14 H new ATOM 0 HD13 ILE A 11 -20.180 20.005 -3.094 1.00 64.14 H new ATOM 168 N LEU A 12 -16.750 23.855 -5.909 1.00 5.10 N ATOM 169 CA LEU A 12 -16.464 25.286 -5.907 1.00 5.40 C ATOM 170 C LEU A 12 -17.727 26.094 -5.623 1.00 21.31 C ATOM 171 O LEU A 12 -18.783 25.837 -6.202 1.00 11.41 O ATOM 172 CB LEU A 12 -15.866 25.709 -7.250 1.00 2.21 C ATOM 173 CG LEU A 12 -14.341 25.641 -7.356 1.00 73.04 C ATOM 174 CD1 LEU A 12 -13.692 26.520 -6.300 1.00 2.22 C ATOM 175 CD2 LEU A 12 -13.862 24.202 -7.226 1.00 3.54 C ATOM 0 H LEU A 12 -17.231 23.522 -6.745 1.00 5.10 H new ATOM 0 HA LEU A 12 -15.742 25.485 -5.116 1.00 5.40 H new ATOM 0 HB2 LEU A 12 -16.293 25.079 -8.030 1.00 2.21 H new ATOM 0 HB3 LEU A 12 -16.180 26.732 -7.459 1.00 2.21 H new ATOM 0 HG LEU A 12 -14.047 26.013 -8.337 1.00 73.04 H new ATOM 0 HD11 LEU A 12 -12.608 26.458 -6.392 1.00 2.22 H new ATOM 0 HD12 LEU A 12 -14.010 27.553 -6.441 1.00 2.22 H new ATOM 0 HD13 LEU A 12 -13.992 26.180 -5.309 1.00 2.22 H new ATOM 0 HD21 LEU A 12 -12.775 24.172 -7.304 1.00 3.54 H new ATOM 0 HD22 LEU A 12 -14.168 23.803 -6.259 1.00 3.54 H new ATOM 0 HD23 LEU A 12 -14.299 23.600 -8.022 1.00 3.54 H new ATOM 187 N VAL A 13 -17.610 27.071 -4.730 1.00 10.11 N ATOM 188 CA VAL A 13 -18.741 27.918 -4.372 1.00 71.22 C ATOM 189 C VAL A 13 -18.349 29.391 -4.383 1.00 14.40 C ATOM 190 O VAL A 13 -17.230 29.744 -4.757 1.00 1.51 O ATOM 191 CB VAL A 13 -19.295 27.557 -2.981 1.00 70.42 C ATOM 192 CG1 VAL A 13 -19.765 26.111 -2.953 1.00 74.24 C ATOM 193 CG2 VAL A 13 -18.245 27.804 -1.908 1.00 43.55 C ATOM 0 H VAL A 13 -16.743 27.296 -4.241 1.00 10.11 H new ATOM 0 HA VAL A 13 -19.515 27.745 -5.120 1.00 71.22 H new ATOM 0 HB VAL A 13 -20.152 28.198 -2.773 1.00 70.42 H new ATOM 0 HG11 VAL A 13 -20.153 25.874 -1.962 1.00 74.24 H new ATOM 0 HG12 VAL A 13 -20.551 25.970 -3.694 1.00 74.24 H new ATOM 0 HG13 VAL A 13 -18.928 25.452 -3.182 1.00 74.24 H new ATOM 0 HG21 VAL A 13 -18.654 27.543 -0.932 1.00 43.55 H new ATOM 0 HG22 VAL A 13 -17.367 27.190 -2.109 1.00 43.55 H new ATOM 0 HG23 VAL A 13 -17.960 28.856 -1.913 1.00 43.55 H new ATOM 203 N SER A 14 -19.277 30.248 -3.971 1.00 54.12 N ATOM 204 CA SER A 14 -19.032 31.685 -3.937 1.00 45.45 C ATOM 205 C SER A 14 -18.991 32.196 -2.500 1.00 24.10 C ATOM 206 O SER A 14 -18.447 33.264 -2.223 1.00 45.34 O ATOM 207 CB SER A 14 -20.112 32.428 -4.724 1.00 53.45 C ATOM 208 OG SER A 14 -19.780 33.797 -4.880 1.00 44.52 O ATOM 0 H SER A 14 -20.207 29.972 -3.656 1.00 54.12 H new ATOM 0 HA SER A 14 -18.063 31.873 -4.399 1.00 45.45 H new ATOM 0 HB2 SER A 14 -20.234 31.967 -5.704 1.00 53.45 H new ATOM 0 HB3 SER A 14 -21.068 32.339 -4.208 1.00 53.45 H new ATOM 0 HG SER A 14 -20.486 34.249 -5.388 1.00 44.52 H new ATOM 214 N LYS A 15 -19.571 31.423 -1.588 1.00 34.13 N ATOM 215 CA LYS A 15 -19.602 31.793 -0.178 1.00 43.22 C ATOM 216 C LYS A 15 -19.304 30.588 0.708 1.00 64.14 C ATOM 217 O LYS A 15 -19.656 29.458 0.372 1.00 3.42 O ATOM 218 CB LYS A 15 -20.967 32.381 0.186 1.00 52.22 C ATOM 219 CG LYS A 15 -22.137 31.509 -0.234 1.00 21.12 C ATOM 220 CD LYS A 15 -23.454 32.263 -0.150 1.00 32.00 C ATOM 221 CE LYS A 15 -23.779 32.658 1.282 1.00 1.32 C ATOM 222 NZ LYS A 15 -24.105 34.106 1.398 1.00 43.23 N ATOM 0 H LYS A 15 -20.026 30.535 -1.801 1.00 34.13 H new ATOM 0 HA LYS A 15 -18.832 32.545 -0.009 1.00 43.22 H new ATOM 0 HB2 LYS A 15 -21.010 32.537 1.264 1.00 52.22 H new ATOM 0 HB3 LYS A 15 -21.068 33.360 -0.282 1.00 52.22 H new ATOM 0 HG2 LYS A 15 -21.982 31.158 -1.254 1.00 21.12 H new ATOM 0 HG3 LYS A 15 -22.181 30.626 0.404 1.00 21.12 H new ATOM 0 HD2 LYS A 15 -23.403 33.156 -0.773 1.00 32.00 H new ATOM 0 HD3 LYS A 15 -24.256 31.642 -0.548 1.00 32.00 H new ATOM 0 HE2 LYS A 15 -24.622 32.066 1.639 1.00 1.32 H new ATOM 0 HE3 LYS A 15 -22.930 32.424 1.925 1.00 1.32 H new ATOM 0 HZ1 LYS A 15 -24.321 34.335 2.389 1.00 43.23 H new ATOM 0 HZ2 LYS A 15 -23.292 34.671 1.081 1.00 43.23 H new ATOM 0 HZ3 LYS A 15 -24.931 34.325 0.805 1.00 43.23 H new ATOM 236 N GLN A 16 -18.653 30.838 1.839 1.00 34.20 N ATOM 237 CA GLN A 16 -18.308 29.773 2.773 1.00 34.43 C ATOM 238 C GLN A 16 -19.560 29.055 3.266 1.00 11.24 C ATOM 239 O GLN A 16 -19.505 27.891 3.664 1.00 54.21 O ATOM 240 CB GLN A 16 -17.529 30.339 3.961 1.00 14.12 C ATOM 241 CG GLN A 16 -18.172 31.570 4.579 1.00 14.44 C ATOM 242 CD GLN A 16 -18.061 31.590 6.091 1.00 10.13 C ATOM 243 OE1 GLN A 16 -17.354 30.776 6.684 1.00 63.44 O ATOM 244 NE2 GLN A 16 -18.762 32.524 6.725 1.00 64.34 N ATOM 0 H GLN A 16 -18.354 31.768 2.131 1.00 34.20 H new ATOM 0 HA GLN A 16 -17.681 29.053 2.247 1.00 34.43 H new ATOM 0 HB2 GLN A 16 -17.435 29.567 4.724 1.00 14.12 H new ATOM 0 HB3 GLN A 16 -16.520 30.591 3.636 1.00 14.12 H new ATOM 0 HG2 GLN A 16 -17.700 32.464 4.172 1.00 14.44 H new ATOM 0 HG3 GLN A 16 -19.224 31.607 4.295 1.00 14.44 H new ATOM 0 HE21 GLN A 16 -19.336 33.179 6.194 1.00 64.34 H new ATOM 0 HE22 GLN A 16 -18.726 32.586 7.743 1.00 64.34 H new ATOM 253 N SER A 17 -20.689 29.757 3.239 1.00 44.35 N ATOM 254 CA SER A 17 -21.955 29.188 3.687 1.00 3.41 C ATOM 255 C SER A 17 -22.317 27.955 2.866 1.00 31.01 C ATOM 256 O SER A 17 -23.099 27.112 3.304 1.00 13.50 O ATOM 257 CB SER A 17 -23.070 30.229 3.585 1.00 50.54 C ATOM 258 OG SER A 17 -24.222 29.814 4.297 1.00 74.04 O ATOM 0 H SER A 17 -20.753 30.721 2.911 1.00 44.35 H new ATOM 0 HA SER A 17 -21.842 28.888 4.729 1.00 3.41 H new ATOM 0 HB2 SER A 17 -22.719 31.182 3.980 1.00 50.54 H new ATOM 0 HB3 SER A 17 -23.325 30.392 2.538 1.00 50.54 H new ATOM 0 HG SER A 17 -24.920 30.498 4.217 1.00 74.04 H new ATOM 264 N GLU A 18 -21.742 27.857 1.671 1.00 4.43 N ATOM 265 CA GLU A 18 -22.005 26.727 0.788 1.00 10.10 C ATOM 266 C GLU A 18 -20.887 25.692 0.880 1.00 12.43 C ATOM 267 O GLU A 18 -21.144 24.495 1.007 1.00 50.53 O ATOM 268 CB GLU A 18 -22.155 27.206 -0.658 1.00 25.33 C ATOM 269 CG GLU A 18 -23.388 28.062 -0.892 1.00 43.23 C ATOM 270 CD GLU A 18 -23.256 28.955 -2.110 1.00 65.35 C ATOM 271 OE1 GLU A 18 -22.500 28.591 -3.035 1.00 25.14 O ATOM 272 OE2 GLU A 18 -23.910 30.018 -2.140 1.00 32.03 O ATOM 0 H GLU A 18 -21.092 28.546 1.293 1.00 4.43 H new ATOM 0 HA GLU A 18 -22.936 26.259 1.107 1.00 10.10 H new ATOM 0 HB2 GLU A 18 -21.269 27.777 -0.936 1.00 25.33 H new ATOM 0 HB3 GLU A 18 -22.195 26.338 -1.317 1.00 25.33 H new ATOM 0 HG2 GLU A 18 -24.257 27.415 -1.013 1.00 43.23 H new ATOM 0 HG3 GLU A 18 -23.570 28.679 -0.012 1.00 43.23 H new ATOM 279 N ALA A 19 -19.647 26.163 0.814 1.00 1.52 N ATOM 280 CA ALA A 19 -18.490 25.281 0.892 1.00 23.22 C ATOM 281 C ALA A 19 -18.422 24.580 2.245 1.00 12.52 C ATOM 282 O ALA A 19 -18.309 23.356 2.319 1.00 73.05 O ATOM 283 CB ALA A 19 -17.211 26.063 0.636 1.00 5.44 C ATOM 0 H ALA A 19 -19.418 27.151 0.707 1.00 1.52 H new ATOM 0 HA ALA A 19 -18.596 24.517 0.122 1.00 23.22 H new ATOM 0 HB1 ALA A 19 -16.355 25.391 0.698 1.00 5.44 H new ATOM 0 HB2 ALA A 19 -17.251 26.510 -0.357 1.00 5.44 H new ATOM 0 HB3 ALA A 19 -17.109 26.849 1.384 1.00 5.44 H new ATOM 289 N LEU A 20 -18.491 25.365 3.315 1.00 13.13 N ATOM 290 CA LEU A 20 -18.437 24.821 4.668 1.00 73.13 C ATOM 291 C LEU A 20 -19.675 23.982 4.966 1.00 23.44 C ATOM 292 O LEU A 20 -19.703 23.221 5.933 1.00 32.34 O ATOM 293 CB LEU A 20 -18.316 25.953 5.690 1.00 33.10 C ATOM 294 CG LEU A 20 -17.676 25.582 7.028 1.00 3.50 C ATOM 295 CD1 LEU A 20 -16.163 25.507 6.893 1.00 70.02 C ATOM 296 CD2 LEU A 20 -18.067 26.586 8.102 1.00 14.51 C ATOM 0 H LEU A 20 -18.584 26.380 3.272 1.00 13.13 H new ATOM 0 HA LEU A 20 -17.559 24.179 4.741 1.00 73.13 H new ATOM 0 HB2 LEU A 20 -17.734 26.759 5.243 1.00 33.10 H new ATOM 0 HB3 LEU A 20 -19.313 26.349 5.884 1.00 33.10 H new ATOM 0 HG LEU A 20 -18.043 24.600 7.325 1.00 3.50 H new ATOM 0 HD11 LEU A 20 -15.725 25.242 7.855 1.00 70.02 H new ATOM 0 HD12 LEU A 20 -15.901 24.750 6.154 1.00 70.02 H new ATOM 0 HD13 LEU A 20 -15.778 26.475 6.573 1.00 70.02 H new ATOM 0 HD21 LEU A 20 -17.603 26.306 9.048 1.00 14.51 H new ATOM 0 HD22 LEU A 20 -17.728 27.580 7.811 1.00 14.51 H new ATOM 0 HD23 LEU A 20 -19.151 26.592 8.218 1.00 14.51 H new ATOM 308 N ALA A 21 -20.697 24.123 4.128 1.00 62.01 N ATOM 309 CA ALA A 21 -21.936 23.375 4.299 1.00 25.43 C ATOM 310 C ALA A 21 -21.758 21.917 3.887 1.00 71.21 C ATOM 311 O ALA A 21 -22.624 21.079 4.143 1.00 4.52 O ATOM 312 CB ALA A 21 -23.057 24.018 3.498 1.00 42.12 C ATOM 0 H ALA A 21 -20.691 24.749 3.323 1.00 62.01 H new ATOM 0 HA ALA A 21 -22.201 23.398 5.356 1.00 25.43 H new ATOM 0 HB1 ALA A 21 -23.976 23.448 3.636 1.00 42.12 H new ATOM 0 HB2 ALA A 21 -23.209 25.041 3.842 1.00 42.12 H new ATOM 0 HB3 ALA A 21 -22.790 24.027 2.441 1.00 42.12 H new ATOM 318 N ILE A 22 -20.632 21.620 3.248 1.00 45.41 N ATOM 319 CA ILE A 22 -20.341 20.264 2.801 1.00 70.24 C ATOM 320 C ILE A 22 -20.020 19.354 3.981 1.00 65.42 C ATOM 321 O ILE A 22 -20.221 18.141 3.916 1.00 30.21 O ATOM 322 CB ILE A 22 -19.163 20.237 1.811 1.00 63.02 C ATOM 323 CG1 ILE A 22 -19.477 21.100 0.586 1.00 62.23 C ATOM 324 CG2 ILE A 22 -18.853 18.807 1.393 1.00 10.51 C ATOM 325 CD1 ILE A 22 -20.712 20.654 -0.165 1.00 14.12 C ATOM 0 H ILE A 22 -19.905 22.301 3.028 1.00 45.41 H new ATOM 0 HA ILE A 22 -21.236 19.900 2.297 1.00 70.24 H new ATOM 0 HB ILE A 22 -18.283 20.648 2.306 1.00 63.02 H new ATOM 0 HG12 ILE A 22 -19.608 22.134 0.904 1.00 62.23 H new ATOM 0 HG13 ILE A 22 -18.623 21.081 -0.091 1.00 62.23 H new ATOM 0 HG21 ILE A 22 -18.018 18.806 0.693 1.00 10.51 H new ATOM 0 HG22 ILE A 22 -18.590 18.220 2.273 1.00 10.51 H new ATOM 0 HG23 ILE A 22 -19.729 18.370 0.914 1.00 10.51 H new ATOM 0 HD11 ILE A 22 -20.874 21.310 -1.020 1.00 14.12 H new ATOM 0 HD12 ILE A 22 -20.576 19.630 -0.513 1.00 14.12 H new ATOM 0 HD13 ILE A 22 -21.577 20.700 0.497 1.00 14.12 H new ATOM 337 N MET A 23 -19.520 19.947 5.060 1.00 34.01 N ATOM 338 CA MET A 23 -19.174 19.190 6.257 1.00 22.24 C ATOM 339 C MET A 23 -20.350 19.138 7.228 1.00 4.53 C ATOM 340 O MET A 23 -20.414 18.265 8.093 1.00 64.13 O ATOM 341 CB MET A 23 -17.956 19.811 6.945 1.00 70.31 C ATOM 342 CG MET A 23 -18.187 21.238 7.416 1.00 70.04 C ATOM 343 SD MET A 23 -17.633 21.509 9.110 1.00 23.04 S ATOM 344 CE MET A 23 -15.887 21.137 8.959 1.00 74.13 C ATOM 0 H MET A 23 -19.345 20.950 5.130 1.00 34.01 H new ATOM 0 HA MET A 23 -18.931 18.171 5.954 1.00 22.24 H new ATOM 0 HB2 MET A 23 -17.679 19.195 7.800 1.00 70.31 H new ATOM 0 HB3 MET A 23 -17.112 19.797 6.255 1.00 70.31 H new ATOM 0 HG2 MET A 23 -17.662 21.925 6.752 1.00 70.04 H new ATOM 0 HG3 MET A 23 -19.249 21.473 7.343 1.00 70.04 H new ATOM 0 HE1 MET A 23 -15.370 21.444 9.868 1.00 74.13 H new ATOM 0 HE2 MET A 23 -15.755 20.065 8.811 1.00 74.13 H new ATOM 0 HE3 MET A 23 -15.473 21.675 8.106 1.00 74.13 H new ATOM 354 N GLU A 24 -21.277 20.079 7.078 1.00 2.52 N ATOM 355 CA GLU A 24 -22.449 20.140 7.943 1.00 5.42 C ATOM 356 C GLU A 24 -23.607 19.344 7.348 1.00 63.31 C ATOM 357 O GLU A 24 -24.252 18.554 8.037 1.00 41.51 O ATOM 358 CB GLU A 24 -22.874 21.594 8.161 1.00 34.00 C ATOM 359 CG GLU A 24 -21.709 22.567 8.223 1.00 21.00 C ATOM 360 CD GLU A 24 -21.916 23.661 9.252 1.00 74.24 C ATOM 361 OE1 GLU A 24 -21.520 23.460 10.418 1.00 4.14 O ATOM 362 OE2 GLU A 24 -22.474 24.718 8.890 1.00 33.23 O ATOM 0 H GLU A 24 -21.239 20.809 6.366 1.00 2.52 H new ATOM 0 HA GLU A 24 -22.183 19.698 8.903 1.00 5.42 H new ATOM 0 HB2 GLU A 24 -23.543 21.893 7.354 1.00 34.00 H new ATOM 0 HB3 GLU A 24 -23.443 21.662 9.088 1.00 34.00 H new ATOM 0 HG2 GLU A 24 -20.796 22.020 8.459 1.00 21.00 H new ATOM 0 HG3 GLU A 24 -21.566 23.019 7.242 1.00 21.00 H new ATOM 369 N LYS A 25 -23.864 19.557 6.062 1.00 44.24 N ATOM 370 CA LYS A 25 -24.942 18.860 5.371 1.00 51.22 C ATOM 371 C LYS A 25 -24.714 17.352 5.389 1.00 54.54 C ATOM 372 O LYS A 25 -25.551 16.594 5.880 1.00 35.43 O ATOM 373 CB LYS A 25 -25.052 19.353 3.926 1.00 2.11 C ATOM 374 CG LYS A 25 -25.547 20.785 3.807 1.00 25.13 C ATOM 375 CD LYS A 25 -27.062 20.858 3.871 1.00 14.32 C ATOM 376 CE LYS A 25 -27.548 22.297 3.941 1.00 53.25 C ATOM 377 NZ LYS A 25 -27.349 23.013 2.650 1.00 51.51 N ATOM 0 H LYS A 25 -23.340 20.207 5.477 1.00 44.24 H new ATOM 0 HA LYS A 25 -25.874 19.075 5.894 1.00 51.22 H new ATOM 0 HB2 LYS A 25 -24.075 19.274 3.449 1.00 2.11 H new ATOM 0 HB3 LYS A 25 -25.728 18.697 3.378 1.00 2.11 H new ATOM 0 HG2 LYS A 25 -25.119 21.387 4.609 1.00 25.13 H new ATOM 0 HG3 LYS A 25 -25.201 21.214 2.867 1.00 25.13 H new ATOM 0 HD2 LYS A 25 -27.488 20.371 2.994 1.00 14.32 H new ATOM 0 HD3 LYS A 25 -27.417 20.310 4.744 1.00 14.32 H new ATOM 0 HE2 LYS A 25 -28.606 22.311 4.205 1.00 53.25 H new ATOM 0 HE3 LYS A 25 -27.015 22.822 4.734 1.00 53.25 H new ATOM 0 HZ1 LYS A 25 -27.693 23.991 2.739 1.00 51.51 H new ATOM 0 HZ2 LYS A 25 -26.337 23.022 2.411 1.00 51.51 H new ATOM 0 HZ3 LYS A 25 -27.878 22.527 1.898 1.00 51.51 H new ATOM 465 N LYS A 31 -25.385 12.978 0.455 1.00 52.45 N ATOM 466 CA LYS A 31 -24.405 12.533 -0.528 1.00 52.44 C ATOM 467 C LYS A 31 -23.589 13.710 -1.054 1.00 54.33 C ATOM 468 O LYS A 31 -24.140 14.755 -1.401 1.00 53.35 O ATOM 469 CB LYS A 31 -25.104 11.825 -1.691 1.00 31.24 C ATOM 470 CG LYS A 31 -24.215 10.835 -2.423 1.00 44.23 C ATOM 471 CD LYS A 31 -23.970 9.585 -1.594 1.00 53.12 C ATOM 472 CE LYS A 31 -25.052 8.542 -1.826 1.00 3.45 C ATOM 473 NZ LYS A 31 -26.197 8.714 -0.889 1.00 51.54 N ATOM 0 HA LYS A 31 -23.728 11.833 -0.038 1.00 52.44 H new ATOM 0 HB2 LYS A 31 -25.981 11.301 -1.312 1.00 31.24 H new ATOM 0 HB3 LYS A 31 -25.461 12.573 -2.399 1.00 31.24 H new ATOM 0 HG2 LYS A 31 -24.679 10.559 -3.370 1.00 44.23 H new ATOM 0 HG3 LYS A 31 -23.262 11.307 -2.661 1.00 44.23 H new ATOM 0 HD2 LYS A 31 -22.997 9.164 -1.847 1.00 53.12 H new ATOM 0 HD3 LYS A 31 -23.938 9.849 -0.537 1.00 53.12 H new ATOM 0 HE2 LYS A 31 -25.410 8.612 -2.853 1.00 3.45 H new ATOM 0 HE3 LYS A 31 -24.628 7.545 -1.703 1.00 3.45 H new ATOM 0 HZ1 LYS A 31 -26.549 7.780 -0.596 1.00 51.54 H new ATOM 0 HZ2 LYS A 31 -25.883 9.244 -0.051 1.00 51.54 H new ATOM 0 HZ3 LYS A 31 -26.959 9.238 -1.365 1.00 51.54 H new ATOM 487 N PHE A 32 -22.273 13.533 -1.112 1.00 13.53 N ATOM 488 CA PHE A 32 -21.382 14.582 -1.595 1.00 70.34 C ATOM 489 C PHE A 32 -21.820 15.076 -2.970 1.00 71.04 C ATOM 490 O PHE A 32 -21.867 16.279 -3.224 1.00 30.31 O ATOM 491 CB PHE A 32 -19.943 14.065 -1.661 1.00 43.42 C ATOM 492 CG PHE A 32 -18.948 15.115 -2.065 1.00 2.14 C ATOM 493 CD1 PHE A 32 -18.794 15.469 -3.395 1.00 71.33 C ATOM 494 CD2 PHE A 32 -18.165 15.749 -1.112 1.00 34.41 C ATOM 495 CE1 PHE A 32 -17.878 16.435 -3.770 1.00 13.11 C ATOM 496 CE2 PHE A 32 -17.249 16.716 -1.480 1.00 74.04 C ATOM 497 CZ PHE A 32 -17.104 17.059 -2.811 1.00 32.24 C ATOM 0 H PHE A 32 -21.800 12.674 -0.831 1.00 13.53 H new ATOM 0 HA PHE A 32 -21.430 15.417 -0.896 1.00 70.34 H new ATOM 0 HB2 PHE A 32 -19.663 13.667 -0.686 1.00 43.42 H new ATOM 0 HB3 PHE A 32 -19.894 13.238 -2.369 1.00 43.42 H new ATOM 0 HD1 PHE A 32 -19.397 14.985 -4.149 1.00 71.33 H new ATOM 0 HD2 PHE A 32 -18.272 15.484 -0.071 1.00 34.41 H new ATOM 0 HE1 PHE A 32 -17.768 16.701 -4.811 1.00 13.11 H new ATOM 0 HE2 PHE A 32 -16.647 17.204 -0.728 1.00 74.04 H new ATOM 0 HZ PHE A 32 -16.387 17.813 -3.101 1.00 32.24 H new ATOM 507 N GLY A 33 -22.140 14.137 -3.857 1.00 1.32 N ATOM 508 CA GLY A 33 -22.570 14.496 -5.196 1.00 5.11 C ATOM 509 C GLY A 33 -23.787 15.399 -5.191 1.00 41.15 C ATOM 510 O GLY A 33 -23.882 16.330 -5.991 1.00 31.13 O ATOM 0 H GLY A 33 -22.109 13.134 -3.672 1.00 1.32 H new ATOM 0 HA2 GLY A 33 -21.752 14.996 -5.715 1.00 5.11 H new ATOM 0 HA3 GLY A 33 -22.796 13.589 -5.757 1.00 5.11 H new ATOM 514 N LYS A 34 -24.723 15.122 -4.290 1.00 11.43 N ATOM 515 CA LYS A 34 -25.942 15.916 -4.183 1.00 52.24 C ATOM 516 C LYS A 34 -25.615 17.388 -3.952 1.00 30.31 C ATOM 517 O LYS A 34 -26.418 18.269 -4.264 1.00 64.01 O ATOM 518 CB LYS A 34 -26.818 15.391 -3.044 1.00 53.41 C ATOM 519 CG LYS A 34 -27.395 14.011 -3.307 1.00 31.41 C ATOM 520 CD LYS A 34 -28.696 14.089 -4.088 1.00 51.43 C ATOM 521 CE LYS A 34 -29.340 12.719 -4.237 1.00 51.44 C ATOM 522 NZ LYS A 34 -30.580 12.777 -5.060 1.00 75.21 N ATOM 0 H LYS A 34 -24.661 14.353 -3.623 1.00 11.43 H new ATOM 0 HA LYS A 34 -26.487 15.828 -5.123 1.00 52.24 H new ATOM 0 HB2 LYS A 34 -26.228 15.360 -2.128 1.00 53.41 H new ATOM 0 HB3 LYS A 34 -27.636 16.091 -2.874 1.00 53.41 H new ATOM 0 HG2 LYS A 34 -26.672 13.413 -3.862 1.00 31.41 H new ATOM 0 HG3 LYS A 34 -27.569 13.502 -2.359 1.00 31.41 H new ATOM 0 HD2 LYS A 34 -29.386 14.763 -3.581 1.00 51.43 H new ATOM 0 HD3 LYS A 34 -28.505 14.511 -5.074 1.00 51.43 H new ATOM 0 HE2 LYS A 34 -28.630 12.032 -4.697 1.00 51.44 H new ATOM 0 HE3 LYS A 34 -29.577 12.319 -3.251 1.00 51.44 H new ATOM 0 HZ1 LYS A 34 -30.989 11.824 -5.138 1.00 75.21 H new ATOM 0 HZ2 LYS A 34 -31.267 13.413 -4.608 1.00 75.21 H new ATOM 0 HZ3 LYS A 34 -30.350 13.134 -6.009 1.00 75.21 H new ATOM 536 N LEU A 35 -24.433 17.647 -3.404 1.00 42.54 N ATOM 537 CA LEU A 35 -23.999 19.013 -3.132 1.00 11.10 C ATOM 538 C LEU A 35 -23.074 19.520 -4.233 1.00 30.02 C ATOM 539 O LEU A 35 -23.031 20.716 -4.520 1.00 12.12 O ATOM 540 CB LEU A 35 -23.288 19.083 -1.779 1.00 54.42 C ATOM 541 CG LEU A 35 -23.868 18.205 -0.670 1.00 1.51 C ATOM 542 CD1 LEU A 35 -23.138 18.451 0.641 1.00 4.42 C ATOM 543 CD2 LEU A 35 -25.359 18.463 -0.509 1.00 41.24 C ATOM 0 H LEU A 35 -23.758 16.929 -3.139 1.00 42.54 H new ATOM 0 HA LEU A 35 -24.883 19.650 -3.104 1.00 11.10 H new ATOM 0 HB2 LEU A 35 -22.244 18.807 -1.925 1.00 54.42 H new ATOM 0 HB3 LEU A 35 -23.299 20.118 -1.438 1.00 54.42 H new ATOM 0 HG LEU A 35 -23.729 17.161 -0.950 1.00 1.51 H new ATOM 0 HD11 LEU A 35 -23.564 17.818 1.419 1.00 4.42 H new ATOM 0 HD12 LEU A 35 -22.081 18.214 0.519 1.00 4.42 H new ATOM 0 HD13 LEU A 35 -23.245 19.498 0.926 1.00 4.42 H new ATOM 0 HD21 LEU A 35 -25.754 17.829 0.285 1.00 41.24 H new ATOM 0 HD22 LEU A 35 -25.521 19.510 -0.252 1.00 41.24 H new ATOM 0 HD23 LEU A 35 -25.871 18.235 -1.444 1.00 41.24 H new ATOM 555 N ALA A 36 -22.336 18.602 -4.848 1.00 2.13 N ATOM 556 CA ALA A 36 -21.414 18.955 -5.920 1.00 50.45 C ATOM 557 C ALA A 36 -22.161 19.208 -7.225 1.00 61.41 C ATOM 558 O ALA A 36 -21.645 19.861 -8.132 1.00 62.12 O ATOM 559 CB ALA A 36 -20.376 17.858 -6.108 1.00 13.14 C ATOM 0 H ALA A 36 -22.359 17.608 -4.622 1.00 2.13 H new ATOM 0 HA ALA A 36 -20.905 19.877 -5.638 1.00 50.45 H new ATOM 0 HB1 ALA A 36 -19.694 18.136 -6.912 1.00 13.14 H new ATOM 0 HB2 ALA A 36 -19.813 17.728 -5.184 1.00 13.14 H new ATOM 0 HB3 ALA A 36 -20.876 16.924 -6.363 1.00 13.14 H new ATOM 565 N LYS A 37 -23.380 18.685 -7.314 1.00 42.21 N ATOM 566 CA LYS A 37 -24.200 18.854 -8.508 1.00 70.45 C ATOM 567 C LYS A 37 -24.963 20.173 -8.462 1.00 53.33 C ATOM 568 O LYS A 37 -25.758 20.471 -9.353 1.00 53.12 O ATOM 569 CB LYS A 37 -25.181 17.687 -8.647 1.00 14.42 C ATOM 570 CG LYS A 37 -25.317 17.172 -10.068 1.00 64.05 C ATOM 571 CD LYS A 37 -26.683 17.496 -10.651 1.00 43.44 C ATOM 572 CE LYS A 37 -27.656 16.343 -10.464 1.00 21.02 C ATOM 573 NZ LYS A 37 -29.071 16.781 -10.617 1.00 71.03 N ATOM 0 H LYS A 37 -23.822 18.141 -6.573 1.00 42.21 H new ATOM 0 HA LYS A 37 -23.538 18.869 -9.374 1.00 70.45 H new ATOM 0 HB2 LYS A 37 -24.854 16.870 -8.003 1.00 14.42 H new ATOM 0 HB3 LYS A 37 -26.161 18.003 -8.289 1.00 14.42 H new ATOM 0 HG2 LYS A 37 -24.540 17.614 -10.692 1.00 64.05 H new ATOM 0 HG3 LYS A 37 -25.161 16.093 -10.081 1.00 64.05 H new ATOM 0 HD2 LYS A 37 -27.081 18.391 -10.172 1.00 43.44 H new ATOM 0 HD3 LYS A 37 -26.583 17.720 -11.713 1.00 43.44 H new ATOM 0 HE2 LYS A 37 -27.437 15.561 -11.192 1.00 21.02 H new ATOM 0 HE3 LYS A 37 -27.516 15.906 -9.475 1.00 21.02 H new ATOM 0 HZ1 LYS A 37 -29.703 15.966 -10.482 1.00 71.03 H new ATOM 0 HZ2 LYS A 37 -29.288 17.509 -9.906 1.00 71.03 H new ATOM 0 HZ3 LYS A 37 -29.212 17.174 -11.569 1.00 71.03 H new ATOM 587 N GLU A 38 -24.717 20.958 -7.418 1.00 25.12 N ATOM 588 CA GLU A 38 -25.382 22.246 -7.257 1.00 70.12 C ATOM 589 C GLU A 38 -24.391 23.318 -6.812 1.00 34.31 C ATOM 590 O GLU A 38 -24.184 24.315 -7.505 1.00 54.15 O ATOM 591 CB GLU A 38 -26.520 22.133 -6.241 1.00 51.13 C ATOM 592 CG GLU A 38 -27.585 21.122 -6.630 1.00 73.02 C ATOM 593 CD GLU A 38 -28.751 21.756 -7.365 1.00 14.23 C ATOM 594 OE1 GLU A 38 -29.328 22.729 -6.835 1.00 14.11 O ATOM 595 OE2 GLU A 38 -29.087 21.279 -8.468 1.00 50.13 O ATOM 0 H GLU A 38 -24.062 20.725 -6.671 1.00 25.12 H new ATOM 0 HA GLU A 38 -25.795 22.537 -8.223 1.00 70.12 H new ATOM 0 HB2 GLU A 38 -26.105 21.856 -5.272 1.00 51.13 H new ATOM 0 HB3 GLU A 38 -26.986 23.111 -6.120 1.00 51.13 H new ATOM 0 HG2 GLU A 38 -27.138 20.353 -7.260 1.00 73.02 H new ATOM 0 HG3 GLU A 38 -27.953 20.624 -5.733 1.00 73.02 H new ATOM 602 N LEU A 39 -23.784 23.107 -5.650 1.00 4.11 N ATOM 603 CA LEU A 39 -22.815 24.055 -5.110 1.00 31.32 C ATOM 604 C LEU A 39 -21.676 24.290 -6.096 1.00 52.45 C ATOM 605 O LEU A 39 -21.342 25.432 -6.411 1.00 3.21 O ATOM 606 CB LEU A 39 -22.256 23.542 -3.781 1.00 73.13 C ATOM 607 CG LEU A 39 -23.271 23.362 -2.651 1.00 31.01 C ATOM 608 CD1 LEU A 39 -22.568 22.974 -1.359 1.00 63.25 C ATOM 609 CD2 LEU A 39 -24.083 24.633 -2.457 1.00 10.41 C ATOM 0 H LEU A 39 -23.945 22.288 -5.063 1.00 4.11 H new ATOM 0 HA LEU A 39 -23.326 25.003 -4.941 1.00 31.32 H new ATOM 0 HB2 LEU A 39 -21.768 22.584 -3.960 1.00 73.13 H new ATOM 0 HB3 LEU A 39 -21.485 24.234 -3.443 1.00 73.13 H new ATOM 0 HG LEU A 39 -23.953 22.557 -2.925 1.00 31.01 H new ATOM 0 HD11 LEU A 39 -23.306 22.850 -0.566 1.00 63.25 H new ATOM 0 HD12 LEU A 39 -22.031 22.037 -1.504 1.00 63.25 H new ATOM 0 HD13 LEU A 39 -21.863 23.757 -1.079 1.00 63.25 H new ATOM 0 HD21 LEU A 39 -24.800 24.487 -1.649 1.00 10.41 H new ATOM 0 HD22 LEU A 39 -23.415 25.457 -2.205 1.00 10.41 H new ATOM 0 HD23 LEU A 39 -24.617 24.868 -3.378 1.00 10.41 H new ATOM 621 N SER A 40 -21.086 23.203 -6.582 1.00 1.10 N ATOM 622 CA SER A 40 -19.983 23.292 -7.532 1.00 5.32 C ATOM 623 C SER A 40 -20.351 24.189 -8.709 1.00 45.33 C ATOM 624 O SER A 40 -21.107 23.790 -9.596 1.00 22.02 O ATOM 625 CB SER A 40 -19.604 21.898 -8.037 1.00 44.41 C ATOM 626 OG SER A 40 -18.220 21.823 -8.333 1.00 23.24 O ATOM 0 H SER A 40 -21.353 22.250 -6.334 1.00 1.10 H new ATOM 0 HA SER A 40 -19.127 23.730 -7.018 1.00 5.32 H new ATOM 0 HB2 SER A 40 -19.859 21.153 -7.284 1.00 44.41 H new ATOM 0 HB3 SER A 40 -20.184 21.661 -8.929 1.00 44.41 H new ATOM 0 HG SER A 40 -18.042 21.018 -8.863 1.00 23.24 H new ATOM 632 N ILE A 41 -19.812 25.404 -8.711 1.00 25.20 N ATOM 633 CA ILE A 41 -20.081 26.357 -9.779 1.00 52.52 C ATOM 634 C ILE A 41 -19.276 26.025 -11.030 1.00 44.33 C ATOM 635 O ILE A 41 -19.635 26.426 -12.138 1.00 32.32 O ATOM 636 CB ILE A 41 -19.759 27.799 -9.342 1.00 62.15 C ATOM 637 CG1 ILE A 41 -18.319 27.889 -8.831 1.00 73.13 C ATOM 638 CG2 ILE A 41 -20.736 28.259 -8.272 1.00 11.50 C ATOM 639 CD1 ILE A 41 -17.582 29.117 -9.317 1.00 2.40 C ATOM 0 H ILE A 41 -19.186 25.751 -7.984 1.00 25.20 H new ATOM 0 HA ILE A 41 -21.145 26.283 -10.005 1.00 52.52 H new ATOM 0 HB ILE A 41 -19.861 28.457 -10.205 1.00 62.15 H new ATOM 0 HG12 ILE A 41 -18.328 27.888 -7.741 1.00 73.13 H new ATOM 0 HG13 ILE A 41 -17.774 26.999 -9.146 1.00 73.13 H new ATOM 0 HG21 ILE A 41 -20.495 29.279 -7.974 1.00 11.50 H new ATOM 0 HG22 ILE A 41 -21.751 28.227 -8.668 1.00 11.50 H new ATOM 0 HG23 ILE A 41 -20.663 27.601 -7.406 1.00 11.50 H new ATOM 0 HD11 ILE A 41 -16.568 29.115 -8.916 1.00 2.40 H new ATOM 0 HD12 ILE A 41 -17.542 29.110 -10.406 1.00 2.40 H new ATOM 0 HD13 ILE A 41 -18.104 30.012 -8.979 1.00 2.40 H new ATOM 651 N ASP A 42 -18.185 25.289 -10.846 1.00 71.55 N ATOM 652 CA ASP A 42 -17.329 24.899 -11.960 1.00 51.05 C ATOM 653 C ASP A 42 -18.108 24.073 -12.981 1.00 43.35 C ATOM 654 O ASP A 42 -18.557 22.966 -12.685 1.00 45.22 O ATOM 655 CB ASP A 42 -16.126 24.103 -11.453 1.00 52.03 C ATOM 656 CG ASP A 42 -15.316 23.495 -12.582 1.00 13.04 C ATOM 657 OD1 ASP A 42 -15.392 24.016 -13.713 1.00 53.24 O ATOM 658 OD2 ASP A 42 -14.608 22.497 -12.333 1.00 12.02 O ATOM 0 H ASP A 42 -17.873 24.951 -9.936 1.00 71.55 H new ATOM 0 HA ASP A 42 -16.974 25.807 -12.448 1.00 51.05 H new ATOM 0 HB2 ASP A 42 -15.485 24.756 -10.861 1.00 52.03 H new ATOM 0 HB3 ASP A 42 -16.472 23.310 -10.790 1.00 52.03 H new ATOM 663 N SER A 43 -18.264 24.621 -14.182 1.00 21.32 N ATOM 664 CA SER A 43 -18.992 23.938 -15.245 1.00 14.24 C ATOM 665 C SER A 43 -18.460 22.522 -15.444 1.00 31.10 C ATOM 666 O SER A 43 -19.226 21.583 -15.661 1.00 4.14 O ATOM 667 CB SER A 43 -18.885 24.725 -16.553 1.00 70.41 C ATOM 668 OG SER A 43 -19.539 25.977 -16.450 1.00 31.31 O ATOM 0 H SER A 43 -17.896 25.536 -14.443 1.00 21.32 H new ATOM 0 HA SER A 43 -20.040 23.876 -14.952 1.00 14.24 H new ATOM 0 HB2 SER A 43 -17.835 24.879 -16.803 1.00 70.41 H new ATOM 0 HB3 SER A 43 -19.325 24.147 -17.366 1.00 70.41 H new ATOM 0 HG SER A 43 -19.455 26.461 -17.298 1.00 31.31 H new ATOM 674 N GLY A 44 -17.140 22.377 -15.370 1.00 62.43 N ATOM 675 CA GLY A 44 -16.527 21.072 -15.545 1.00 10.30 C ATOM 676 C GLY A 44 -16.367 20.327 -14.234 1.00 73.32 C ATOM 677 O GLY A 44 -15.304 19.774 -13.952 1.00 52.33 O ATOM 0 H GLY A 44 -16.485 23.138 -15.192 1.00 62.43 H new ATOM 0 HA2 GLY A 44 -17.135 20.477 -16.226 1.00 10.30 H new ATOM 0 HA3 GLY A 44 -15.550 21.193 -16.013 1.00 10.30 H new ATOM 681 N SER A 45 -17.427 20.311 -13.432 1.00 12.43 N ATOM 682 CA SER A 45 -17.398 19.632 -12.142 1.00 74.12 C ATOM 683 C SER A 45 -18.813 19.333 -11.653 1.00 41.13 C ATOM 684 O SER A 45 -19.083 18.257 -11.122 1.00 2.10 O ATOM 685 CB SER A 45 -16.659 20.485 -11.108 1.00 54.15 C ATOM 686 OG SER A 45 -16.637 19.847 -9.844 1.00 5.12 O ATOM 0 H SER A 45 -18.316 20.760 -13.653 1.00 12.43 H new ATOM 0 HA SER A 45 -16.868 18.688 -12.269 1.00 74.12 H new ATOM 0 HB2 SER A 45 -15.638 20.667 -11.445 1.00 54.15 H new ATOM 0 HB3 SER A 45 -17.144 21.457 -11.020 1.00 54.15 H new ATOM 0 HG SER A 45 -16.186 20.425 -9.194 1.00 5.12 H new ATOM 692 N ALA A 46 -19.711 20.294 -11.839 1.00 50.32 N ATOM 693 CA ALA A 46 -21.098 20.135 -11.420 1.00 21.42 C ATOM 694 C ALA A 46 -21.806 19.073 -12.257 1.00 1.32 C ATOM 695 O ALA A 46 -22.909 18.639 -11.924 1.00 1.31 O ATOM 696 CB ALA A 46 -21.834 21.463 -11.516 1.00 73.41 C ATOM 0 H ALA A 46 -19.503 21.191 -12.277 1.00 50.32 H new ATOM 0 HA ALA A 46 -21.103 19.804 -10.381 1.00 21.42 H new ATOM 0 HB1 ALA A 46 -22.869 21.329 -11.200 1.00 73.41 H new ATOM 0 HB2 ALA A 46 -21.349 22.195 -10.870 1.00 73.41 H new ATOM 0 HB3 ALA A 46 -21.812 21.817 -12.547 1.00 73.41 H new ATOM 702 N LYS A 47 -21.165 18.660 -13.344 1.00 30.12 N ATOM 703 CA LYS A 47 -21.732 17.649 -14.229 1.00 44.42 C ATOM 704 C LYS A 47 -21.289 16.251 -13.811 1.00 44.02 C ATOM 705 O LYS A 47 -21.920 15.256 -14.169 1.00 24.13 O ATOM 706 CB LYS A 47 -21.314 17.916 -15.677 1.00 1.11 C ATOM 707 CG LYS A 47 -22.307 17.399 -16.702 1.00 21.52 C ATOM 708 CD LYS A 47 -21.932 16.009 -17.189 1.00 73.44 C ATOM 709 CE LYS A 47 -22.133 15.872 -18.691 1.00 32.13 C ATOM 710 NZ LYS A 47 -21.054 16.552 -19.459 1.00 44.03 N ATOM 0 H LYS A 47 -20.252 19.010 -13.634 1.00 30.12 H new ATOM 0 HA LYS A 47 -22.818 17.705 -14.155 1.00 44.42 H new ATOM 0 HB2 LYS A 47 -21.186 18.989 -15.817 1.00 1.11 H new ATOM 0 HB3 LYS A 47 -20.344 17.453 -15.858 1.00 1.11 H new ATOM 0 HG2 LYS A 47 -23.305 17.375 -16.264 1.00 21.52 H new ATOM 0 HG3 LYS A 47 -22.347 18.084 -17.549 1.00 21.52 H new ATOM 0 HD2 LYS A 47 -20.891 15.803 -16.940 1.00 73.44 H new ATOM 0 HD3 LYS A 47 -22.537 15.265 -16.670 1.00 73.44 H new ATOM 0 HE2 LYS A 47 -22.159 14.816 -18.959 1.00 32.13 H new ATOM 0 HE3 LYS A 47 -23.098 16.295 -18.968 1.00 32.13 H new ATOM 0 HZ1 LYS A 47 -21.227 16.436 -20.478 1.00 44.03 H new ATOM 0 HZ2 LYS A 47 -21.045 17.565 -19.223 1.00 44.03 H new ATOM 0 HZ3 LYS A 47 -20.135 16.131 -19.214 1.00 44.03 H new ATOM 724 N LYS A 48 -20.202 16.181 -13.050 1.00 45.31 N ATOM 725 CA LYS A 48 -19.676 14.905 -12.581 1.00 2.14 C ATOM 726 C LYS A 48 -19.764 14.807 -11.061 1.00 3.41 C ATOM 727 O LYS A 48 -18.999 14.078 -10.431 1.00 45.13 O ATOM 728 CB LYS A 48 -18.223 14.732 -13.030 1.00 52.43 C ATOM 729 CG LYS A 48 -17.394 15.999 -12.907 1.00 43.33 C ATOM 730 CD LYS A 48 -17.327 16.752 -14.226 1.00 22.10 C ATOM 731 CE LYS A 48 -16.144 16.298 -15.067 1.00 72.25 C ATOM 732 NZ LYS A 48 -16.379 16.522 -16.521 1.00 53.41 N ATOM 0 H LYS A 48 -19.668 16.994 -12.745 1.00 45.31 H new ATOM 0 HA LYS A 48 -20.281 14.109 -13.015 1.00 2.14 H new ATOM 0 HB2 LYS A 48 -17.759 13.945 -12.436 1.00 52.43 H new ATOM 0 HB3 LYS A 48 -18.209 14.398 -14.067 1.00 52.43 H new ATOM 0 HG2 LYS A 48 -17.824 16.644 -12.141 1.00 43.33 H new ATOM 0 HG3 LYS A 48 -16.386 15.745 -12.580 1.00 43.33 H new ATOM 0 HD2 LYS A 48 -18.251 16.597 -14.782 1.00 22.10 H new ATOM 0 HD3 LYS A 48 -17.248 17.822 -14.032 1.00 22.10 H new ATOM 0 HE2 LYS A 48 -15.249 16.837 -14.756 1.00 72.25 H new ATOM 0 HE3 LYS A 48 -15.956 15.239 -14.888 1.00 72.25 H new ATOM 0 HZ1 LYS A 48 -15.550 16.200 -17.060 1.00 53.41 H new ATOM 0 HZ2 LYS A 48 -17.218 15.987 -16.823 1.00 53.41 H new ATOM 0 HZ3 LYS A 48 -16.533 17.536 -16.696 1.00 53.41 H new ATOM 746 N ASN A 49 -20.703 15.545 -10.478 1.00 22.43 N ATOM 747 CA ASN A 49 -20.891 15.539 -9.032 1.00 13.11 C ATOM 748 C ASN A 49 -19.582 15.848 -8.312 1.00 1.51 C ATOM 749 O ASN A 49 -19.340 15.364 -7.207 1.00 51.41 O ATOM 750 CB ASN A 49 -21.432 14.184 -8.572 1.00 24.04 C ATOM 751 CG ASN A 49 -22.851 13.935 -9.047 1.00 44.52 C ATOM 752 OD1 ASN A 49 -23.089 13.089 -9.908 1.00 74.41 O ATOM 753 ND2 ASN A 49 -23.800 14.676 -8.487 1.00 43.41 N ATOM 0 H ASN A 49 -21.345 16.154 -10.984 1.00 22.43 H new ATOM 0 HA ASN A 49 -21.615 16.315 -8.782 1.00 13.11 H new ATOM 0 HB2 ASN A 49 -20.783 13.392 -8.945 1.00 24.04 H new ATOM 0 HB3 ASN A 49 -21.402 14.135 -7.484 1.00 24.04 H new ATOM 0 HD21 ASN A 49 -24.773 14.555 -8.767 1.00 43.41 H new ATOM 0 HD22 ASN A 49 -23.556 15.366 -7.776 1.00 43.41 H new ATOM 760 N GLY A 50 -18.741 16.660 -8.946 1.00 72.42 N ATOM 761 CA GLY A 50 -17.467 17.020 -8.351 1.00 30.23 C ATOM 762 C GLY A 50 -16.565 15.820 -8.141 1.00 72.05 C ATOM 763 O GLY A 50 -15.582 15.895 -7.407 1.00 3.42 O ATOM 0 H GLY A 50 -18.919 17.075 -9.861 1.00 72.42 H new ATOM 0 HA2 GLY A 50 -16.962 17.743 -8.992 1.00 30.23 H new ATOM 0 HA3 GLY A 50 -17.642 17.511 -7.394 1.00 30.23 H new ATOM 767 N ASN A 51 -16.902 14.708 -8.787 1.00 43.13 N ATOM 768 CA ASN A 51 -16.117 13.486 -8.666 1.00 23.24 C ATOM 769 C ASN A 51 -15.072 13.398 -9.774 1.00 71.45 C ATOM 770 O ASN A 51 -15.358 12.928 -10.877 1.00 10.43 O ATOM 771 CB ASN A 51 -17.031 12.260 -8.713 1.00 5.33 C ATOM 772 CG ASN A 51 -16.624 11.197 -7.711 1.00 14.11 C ATOM 773 OD1 ASN A 51 -16.288 10.073 -8.083 1.00 31.11 O ATOM 774 ND2 ASN A 51 -16.655 11.548 -6.430 1.00 61.10 N ATOM 0 H ASN A 51 -17.714 14.629 -9.400 1.00 43.13 H new ATOM 0 HA ASN A 51 -15.601 13.510 -7.706 1.00 23.24 H new ATOM 0 HB2 ASN A 51 -18.058 12.568 -8.515 1.00 5.33 H new ATOM 0 HB3 ASN A 51 -17.013 11.835 -9.717 1.00 5.33 H new ATOM 0 HD21 ASN A 51 -16.394 10.874 -5.710 1.00 61.10 H new ATOM 0 HD22 ASN A 51 -16.940 12.491 -6.166 1.00 61.10 H new ATOM 781 N LEU A 52 -13.860 13.852 -9.475 1.00 3.30 N ATOM 782 CA LEU A 52 -12.771 13.825 -10.445 1.00 4.20 C ATOM 783 C LEU A 52 -12.076 12.467 -10.446 1.00 73.31 C ATOM 784 O LEU A 52 -11.089 12.264 -11.150 1.00 51.13 O ATOM 785 CB LEU A 52 -11.758 14.928 -10.137 1.00 13.42 C ATOM 786 CG LEU A 52 -11.144 14.904 -8.736 1.00 61.23 C ATOM 787 CD1 LEU A 52 -9.991 13.913 -8.677 1.00 73.21 C ATOM 788 CD2 LEU A 52 -10.676 16.295 -8.334 1.00 11.00 C ATOM 0 H LEU A 52 -13.606 14.244 -8.568 1.00 3.30 H new ATOM 0 HA LEU A 52 -13.195 13.997 -11.434 1.00 4.20 H new ATOM 0 HB2 LEU A 52 -10.951 14.866 -10.867 1.00 13.42 H new ATOM 0 HB3 LEU A 52 -12.246 15.892 -10.282 1.00 13.42 H new ATOM 0 HG LEU A 52 -11.909 14.583 -8.030 1.00 61.23 H new ATOM 0 HD11 LEU A 52 -9.566 13.909 -7.673 1.00 73.21 H new ATOM 0 HD12 LEU A 52 -10.356 12.915 -8.921 1.00 73.21 H new ATOM 0 HD13 LEU A 52 -9.224 14.204 -9.395 1.00 73.21 H new ATOM 0 HD21 LEU A 52 -10.242 16.258 -7.335 1.00 11.00 H new ATOM 0 HD22 LEU A 52 -9.926 16.645 -9.043 1.00 11.00 H new ATOM 0 HD23 LEU A 52 -11.525 16.979 -8.336 1.00 11.00 H new ATOM 800 N GLY A 53 -12.601 11.539 -9.651 1.00 41.22 N ATOM 801 CA GLY A 53 -12.019 10.212 -9.577 1.00 35.45 C ATOM 802 C GLY A 53 -10.598 10.229 -9.048 1.00 51.44 C ATOM 803 O GLY A 53 -10.319 10.842 -8.017 1.00 15.21 O ATOM 0 H GLY A 53 -13.418 11.683 -9.058 1.00 41.22 H new ATOM 0 HA2 GLY A 53 -12.635 9.584 -8.933 1.00 35.45 H new ATOM 0 HA3 GLY A 53 -12.029 9.759 -10.568 1.00 35.45 H new ATOM 807 N TYR A 54 -9.698 9.555 -9.755 1.00 1.45 N ATOM 808 CA TYR A 54 -8.298 9.493 -9.348 1.00 54.04 C ATOM 809 C TYR A 54 -7.504 10.647 -9.954 1.00 14.03 C ATOM 810 O TYR A 54 -7.697 11.007 -11.115 1.00 0.33 O ATOM 811 CB TYR A 54 -7.682 8.158 -9.770 1.00 51.30 C ATOM 812 CG TYR A 54 -7.644 7.132 -8.661 1.00 2.02 C ATOM 813 CD1 TYR A 54 -8.722 6.969 -7.800 1.00 73.52 C ATOM 814 CD2 TYR A 54 -6.529 6.324 -8.473 1.00 73.34 C ATOM 815 CE1 TYR A 54 -8.691 6.033 -6.785 1.00 55.34 C ATOM 816 CE2 TYR A 54 -6.489 5.385 -7.462 1.00 73.21 C ATOM 817 CZ TYR A 54 -7.572 5.243 -6.620 1.00 75.30 C ATOM 818 OH TYR A 54 -7.538 4.309 -5.610 1.00 75.12 O ATOM 0 H TYR A 54 -9.912 9.044 -10.612 1.00 1.45 H new ATOM 0 HA TYR A 54 -8.256 9.578 -8.262 1.00 54.04 H new ATOM 0 HB2 TYR A 54 -8.250 7.754 -10.608 1.00 51.30 H new ATOM 0 HB3 TYR A 54 -6.667 8.332 -10.127 1.00 51.30 H new ATOM 0 HD1 TYR A 54 -9.600 7.585 -7.927 1.00 73.52 H new ATOM 0 HD2 TYR A 54 -5.679 6.433 -9.130 1.00 73.34 H new ATOM 0 HE1 TYR A 54 -9.538 5.920 -6.124 1.00 55.34 H new ATOM 0 HE2 TYR A 54 -5.614 4.765 -7.331 1.00 73.21 H new ATOM 0 HH TYR A 54 -6.680 3.835 -5.631 1.00 75.12 H new ATOM 828 N PHE A 55 -6.608 11.221 -9.158 1.00 15.15 N ATOM 829 CA PHE A 55 -5.784 12.335 -9.613 1.00 33.53 C ATOM 830 C PHE A 55 -4.353 12.196 -9.100 1.00 12.31 C ATOM 831 O PHE A 55 -4.019 11.234 -8.408 1.00 55.21 O ATOM 832 CB PHE A 55 -6.379 13.664 -9.144 1.00 74.43 C ATOM 833 CG PHE A 55 -5.904 14.088 -7.785 1.00 23.10 C ATOM 834 CD1 PHE A 55 -5.992 13.225 -6.705 1.00 12.11 C ATOM 835 CD2 PHE A 55 -5.368 15.350 -7.587 1.00 52.34 C ATOM 836 CE1 PHE A 55 -5.554 13.613 -5.452 1.00 24.52 C ATOM 837 CE2 PHE A 55 -4.928 15.743 -6.337 1.00 3.02 C ATOM 838 CZ PHE A 55 -5.022 14.874 -5.268 1.00 31.40 C ATOM 0 H PHE A 55 -6.434 10.933 -8.195 1.00 15.15 H new ATOM 0 HA PHE A 55 -5.765 12.319 -10.703 1.00 33.53 H new ATOM 0 HB2 PHE A 55 -6.127 14.440 -9.866 1.00 74.43 H new ATOM 0 HB3 PHE A 55 -7.466 13.581 -9.131 1.00 74.43 H new ATOM 0 HD1 PHE A 55 -6.407 12.238 -6.843 1.00 12.11 H new ATOM 0 HD2 PHE A 55 -5.293 16.035 -8.419 1.00 52.34 H new ATOM 0 HE1 PHE A 55 -5.628 12.931 -4.618 1.00 24.52 H new ATOM 0 HE2 PHE A 55 -4.511 16.729 -6.196 1.00 3.02 H new ATOM 0 HZ PHE A 55 -4.680 15.180 -4.290 1.00 31.40 H new ATOM 848 N THR A 56 -3.511 13.166 -9.444 1.00 34.22 N ATOM 849 CA THR A 56 -2.117 13.153 -9.021 1.00 42.14 C ATOM 850 C THR A 56 -1.595 14.569 -8.805 1.00 31.21 C ATOM 851 O THR A 56 -2.269 15.547 -9.131 1.00 4.40 O ATOM 852 CB THR A 56 -1.223 12.442 -10.054 1.00 32.35 C ATOM 853 OG1 THR A 56 -1.120 13.234 -11.242 1.00 70.21 O ATOM 854 CG2 THR A 56 -1.783 11.070 -10.400 1.00 71.22 C ATOM 0 H THR A 56 -3.771 13.970 -10.015 1.00 34.22 H new ATOM 0 HA THR A 56 -2.078 12.606 -8.079 1.00 42.14 H new ATOM 0 HB THR A 56 -0.233 12.314 -9.617 1.00 32.35 H new ATOM 0 HG1 THR A 56 -0.548 12.775 -11.893 1.00 70.21 H new ATOM 0 HG21 THR A 56 -1.135 10.586 -11.131 1.00 71.22 H new ATOM 0 HG22 THR A 56 -1.832 10.459 -9.499 1.00 71.22 H new ATOM 0 HG23 THR A 56 -2.783 11.180 -10.818 1.00 71.22 H new ATOM 862 N LYS A 57 -0.391 14.673 -8.253 1.00 24.10 N ATOM 863 CA LYS A 57 0.223 15.970 -7.995 1.00 3.34 C ATOM 864 C LYS A 57 0.687 16.621 -9.294 1.00 50.21 C ATOM 865 O LYS A 57 1.735 16.275 -9.834 1.00 25.30 O ATOM 866 CB LYS A 57 1.409 15.814 -7.039 1.00 45.22 C ATOM 867 CG LYS A 57 1.110 14.936 -5.837 1.00 41.04 C ATOM 868 CD LYS A 57 1.968 15.315 -4.642 1.00 25.42 C ATOM 869 CE LYS A 57 3.448 15.118 -4.934 1.00 10.04 C ATOM 870 NZ LYS A 57 4.255 15.044 -3.684 1.00 63.10 N ATOM 0 H LYS A 57 0.179 13.874 -7.976 1.00 24.10 H new ATOM 0 HA LYS A 57 -0.526 16.614 -7.534 1.00 3.34 H new ATOM 0 HB2 LYS A 57 2.252 15.392 -7.586 1.00 45.22 H new ATOM 0 HB3 LYS A 57 1.716 16.800 -6.691 1.00 45.22 H new ATOM 0 HG2 LYS A 57 0.056 15.026 -5.573 1.00 41.04 H new ATOM 0 HG3 LYS A 57 1.286 13.892 -6.095 1.00 41.04 H new ATOM 0 HD2 LYS A 57 1.784 16.356 -4.376 1.00 25.42 H new ATOM 0 HD3 LYS A 57 1.682 14.711 -3.781 1.00 25.42 H new ATOM 0 HE2 LYS A 57 3.586 14.203 -5.510 1.00 10.04 H new ATOM 0 HE3 LYS A 57 3.809 15.941 -5.551 1.00 10.04 H new ATOM 0 HZ1 LYS A 57 5.258 14.910 -3.926 1.00 63.10 H new ATOM 0 HZ2 LYS A 57 4.144 15.927 -3.146 1.00 63.10 H new ATOM 0 HZ3 LYS A 57 3.928 14.243 -3.106 1.00 63.10 H new ATOM 884 N GLY A 58 -0.104 17.570 -9.790 1.00 24.51 N ATOM 885 CA GLY A 58 0.244 18.255 -11.021 1.00 12.04 C ATOM 886 C GLY A 58 -0.937 18.386 -11.964 1.00 5.34 C ATOM 887 O GLY A 58 -0.831 19.015 -13.016 1.00 64.44 O ATOM 0 H GLY A 58 -0.978 17.875 -9.361 1.00 24.51 H new ATOM 0 HA2 GLY A 58 0.629 19.247 -10.785 1.00 12.04 H new ATOM 0 HA3 GLY A 58 1.046 17.713 -11.521 1.00 12.04 H new ATOM 891 N MET A 59 -2.063 17.790 -11.587 1.00 21.54 N ATOM 892 CA MET A 59 -3.267 17.842 -12.407 1.00 3.00 C ATOM 893 C MET A 59 -4.248 18.878 -11.867 1.00 43.32 C ATOM 894 O MET A 59 -5.344 19.045 -12.400 1.00 34.12 O ATOM 895 CB MET A 59 -3.936 16.468 -12.457 1.00 14.00 C ATOM 896 CG MET A 59 -3.054 15.384 -13.055 1.00 73.53 C ATOM 897 SD MET A 59 -3.160 15.315 -14.854 1.00 14.30 S ATOM 898 CE MET A 59 -4.484 14.128 -15.070 1.00 30.13 C ATOM 0 H MET A 59 -2.167 17.265 -10.719 1.00 21.54 H new ATOM 0 HA MET A 59 -2.976 18.133 -13.416 1.00 3.00 H new ATOM 0 HB2 MET A 59 -4.223 16.176 -11.447 1.00 14.00 H new ATOM 0 HB3 MET A 59 -4.854 16.541 -13.040 1.00 14.00 H new ATOM 0 HG2 MET A 59 -2.019 15.561 -12.763 1.00 73.53 H new ATOM 0 HG3 MET A 59 -3.342 14.418 -12.641 1.00 73.53 H new ATOM 0 HE1 MET A 59 -4.668 13.978 -16.134 1.00 30.13 H new ATOM 0 HE2 MET A 59 -4.201 13.180 -14.614 1.00 30.13 H new ATOM 0 HE3 MET A 59 -5.390 14.503 -14.594 1.00 30.13 H new ATOM 908 N MET A 60 -3.845 19.572 -10.807 1.00 44.22 N ATOM 909 CA MET A 60 -4.688 20.593 -10.197 1.00 71.13 C ATOM 910 C MET A 60 -3.876 21.839 -9.859 1.00 52.32 C ATOM 911 O MET A 60 -2.730 21.980 -10.285 1.00 43.14 O ATOM 912 CB MET A 60 -5.354 20.046 -8.933 1.00 12.13 C ATOM 913 CG MET A 60 -6.060 18.717 -9.144 1.00 64.34 C ATOM 914 SD MET A 60 -7.630 18.895 -10.013 1.00 2.00 S ATOM 915 CE MET A 60 -7.776 17.284 -10.783 1.00 24.13 C ATOM 0 H MET A 60 -2.940 19.446 -10.353 1.00 44.22 H new ATOM 0 HA MET A 60 -5.460 20.868 -10.916 1.00 71.13 H new ATOM 0 HB2 MET A 60 -4.598 19.927 -8.157 1.00 12.13 H new ATOM 0 HB3 MET A 60 -6.075 20.777 -8.567 1.00 12.13 H new ATOM 0 HG2 MET A 60 -5.409 18.050 -9.710 1.00 64.34 H new ATOM 0 HG3 MET A 60 -6.236 18.246 -8.177 1.00 64.34 H new ATOM 0 HE1 MET A 60 -8.701 17.238 -11.359 1.00 24.13 H new ATOM 0 HE2 MET A 60 -6.927 17.120 -11.447 1.00 24.13 H new ATOM 0 HE3 MET A 60 -7.789 16.513 -10.013 1.00 24.13 H new ATOM 925 N VAL A 61 -4.478 22.742 -9.092 1.00 1.23 N ATOM 926 CA VAL A 61 -3.809 23.977 -8.696 1.00 73.12 C ATOM 927 C VAL A 61 -3.156 23.833 -7.326 1.00 43.25 C ATOM 928 O VAL A 61 -3.455 22.903 -6.578 1.00 21.31 O ATOM 929 CB VAL A 61 -4.794 25.162 -8.662 1.00 65.51 C ATOM 930 CG1 VAL A 61 -5.506 25.303 -9.998 1.00 43.25 C ATOM 931 CG2 VAL A 61 -5.795 24.989 -7.530 1.00 24.31 C ATOM 0 H VAL A 61 -5.427 22.642 -8.732 1.00 1.23 H new ATOM 0 HA VAL A 61 -3.040 24.175 -9.443 1.00 73.12 H new ATOM 0 HB VAL A 61 -4.230 26.077 -8.481 1.00 65.51 H new ATOM 0 HG11 VAL A 61 -6.197 26.145 -9.955 1.00 43.25 H new ATOM 0 HG12 VAL A 61 -4.772 25.476 -10.785 1.00 43.25 H new ATOM 0 HG13 VAL A 61 -6.060 24.389 -10.213 1.00 43.25 H new ATOM 0 HG21 VAL A 61 -6.483 25.834 -7.520 1.00 24.31 H new ATOM 0 HG22 VAL A 61 -6.356 24.066 -7.678 1.00 24.31 H new ATOM 0 HG23 VAL A 61 -5.264 24.942 -6.579 1.00 24.31 H new ATOM 941 N LYS A 62 -2.262 24.762 -7.004 1.00 65.33 N ATOM 942 CA LYS A 62 -1.565 24.741 -5.723 1.00 2.12 C ATOM 943 C LYS A 62 -2.556 24.695 -4.565 1.00 21.30 C ATOM 944 O LYS A 62 -2.543 23.780 -3.740 1.00 43.35 O ATOM 945 CB LYS A 62 -0.665 25.972 -5.589 1.00 21.40 C ATOM 946 CG LYS A 62 -0.444 26.410 -4.152 1.00 12.34 C ATOM 947 CD LYS A 62 0.201 25.310 -3.326 1.00 30.14 C ATOM 948 CE LYS A 62 1.657 25.103 -3.713 1.00 62.23 C ATOM 949 NZ LYS A 62 2.527 26.202 -3.209 1.00 71.33 N ATOM 0 H LYS A 62 -2.003 25.539 -7.612 1.00 65.33 H new ATOM 0 HA LYS A 62 -0.949 23.842 -5.687 1.00 2.12 H new ATOM 0 HB2 LYS A 62 0.300 25.757 -6.047 1.00 21.40 H new ATOM 0 HB3 LYS A 62 -1.107 26.797 -6.148 1.00 21.40 H new ATOM 0 HG2 LYS A 62 0.188 27.298 -4.135 1.00 12.34 H new ATOM 0 HG3 LYS A 62 -1.398 26.690 -3.705 1.00 12.34 H new ATOM 0 HD2 LYS A 62 0.137 25.563 -2.268 1.00 30.14 H new ATOM 0 HD3 LYS A 62 -0.349 24.379 -3.465 1.00 30.14 H new ATOM 0 HE2 LYS A 62 2.007 24.151 -3.314 1.00 62.23 H new ATOM 0 HE3 LYS A 62 1.739 25.043 -4.798 1.00 62.23 H new ATOM 0 HZ1 LYS A 62 3.525 25.959 -3.374 1.00 71.33 H new ATOM 0 HZ2 LYS A 62 2.298 27.084 -3.711 1.00 71.33 H new ATOM 0 HZ3 LYS A 62 2.367 26.332 -2.190 1.00 71.33 H new ATOM 963 N PRO A 63 -3.439 25.702 -4.500 1.00 41.45 N ATOM 964 CA PRO A 63 -4.456 25.798 -3.448 1.00 45.23 C ATOM 965 C PRO A 63 -5.536 24.731 -3.587 1.00 61.05 C ATOM 966 O PRO A 63 -6.728 25.022 -3.483 1.00 5.41 O ATOM 967 CB PRO A 63 -5.051 27.192 -3.656 1.00 54.35 C ATOM 968 CG PRO A 63 -4.812 27.496 -5.095 1.00 14.33 C ATOM 969 CD PRO A 63 -3.513 26.826 -5.449 1.00 44.43 C ATOM 0 HA PRO A 63 -4.032 25.645 -2.456 1.00 45.23 H new ATOM 0 HB2 PRO A 63 -6.115 27.207 -3.420 1.00 54.35 H new ATOM 0 HB3 PRO A 63 -4.571 27.928 -3.011 1.00 54.35 H new ATOM 0 HG2 PRO A 63 -5.627 27.120 -5.714 1.00 14.33 H new ATOM 0 HG3 PRO A 63 -4.755 28.572 -5.263 1.00 14.33 H new ATOM 0 HD2 PRO A 63 -3.508 26.480 -6.483 1.00 44.43 H new ATOM 0 HD3 PRO A 63 -2.667 27.504 -5.336 1.00 44.43 H new ATOM 977 N PHE A 64 -5.112 23.494 -3.825 1.00 71.23 N ATOM 978 CA PHE A 64 -6.044 22.383 -3.979 1.00 22.41 C ATOM 979 C PHE A 64 -5.315 21.045 -3.894 1.00 24.22 C ATOM 980 O PHE A 64 -5.572 20.243 -2.997 1.00 14.32 O ATOM 981 CB PHE A 64 -6.782 22.489 -5.315 1.00 44.44 C ATOM 982 CG PHE A 64 -7.705 21.337 -5.584 1.00 74.01 C ATOM 983 CD1 PHE A 64 -7.224 20.157 -6.127 1.00 64.13 C ATOM 984 CD2 PHE A 64 -9.057 21.433 -5.295 1.00 52.41 C ATOM 985 CE1 PHE A 64 -8.072 19.094 -6.375 1.00 25.24 C ATOM 986 CE2 PHE A 64 -9.910 20.374 -5.541 1.00 23.33 C ATOM 987 CZ PHE A 64 -9.417 19.203 -6.082 1.00 70.13 C ATOM 0 H PHE A 64 -4.129 23.236 -3.915 1.00 71.23 H new ATOM 0 HA PHE A 64 -6.768 22.435 -3.166 1.00 22.41 H new ATOM 0 HB2 PHE A 64 -7.356 23.415 -5.331 1.00 44.44 H new ATOM 0 HB3 PHE A 64 -6.051 22.554 -6.121 1.00 44.44 H new ATOM 0 HD1 PHE A 64 -6.173 20.066 -6.360 1.00 64.13 H new ATOM 0 HD2 PHE A 64 -9.449 22.346 -4.872 1.00 52.41 H new ATOM 0 HE1 PHE A 64 -7.683 18.179 -6.797 1.00 25.24 H new ATOM 0 HE2 PHE A 64 -10.961 20.462 -5.310 1.00 23.33 H new ATOM 0 HZ PHE A 64 -10.082 18.374 -6.276 1.00 70.13 H new ATOM 997 N GLU A 65 -4.404 20.813 -4.834 1.00 12.10 N ATOM 998 CA GLU A 65 -3.638 19.572 -4.865 1.00 51.02 C ATOM 999 C GLU A 65 -2.981 19.305 -3.514 1.00 44.12 C ATOM 1000 O GLU A 65 -2.958 18.170 -3.037 1.00 5.20 O ATOM 1001 CB GLU A 65 -2.573 19.633 -5.961 1.00 21.30 C ATOM 1002 CG GLU A 65 -1.742 18.365 -6.072 1.00 11.13 C ATOM 1003 CD GLU A 65 -0.252 18.645 -6.097 1.00 24.34 C ATOM 1004 OE1 GLU A 65 0.243 19.140 -7.130 1.00 64.24 O ATOM 1005 OE2 GLU A 65 0.420 18.368 -5.080 1.00 1.33 O ATOM 0 H GLU A 65 -4.178 21.467 -5.583 1.00 12.10 H new ATOM 0 HA GLU A 65 -4.325 18.754 -5.082 1.00 51.02 H new ATOM 0 HB2 GLU A 65 -3.059 19.824 -6.918 1.00 21.30 H new ATOM 0 HB3 GLU A 65 -1.910 20.476 -5.766 1.00 21.30 H new ATOM 0 HG2 GLU A 65 -1.971 17.710 -5.231 1.00 11.13 H new ATOM 0 HG3 GLU A 65 -2.023 17.829 -6.979 1.00 11.13 H new ATOM 1012 N ASP A 66 -2.447 20.357 -2.905 1.00 24.24 N ATOM 1013 CA ASP A 66 -1.789 20.237 -1.609 1.00 4.41 C ATOM 1014 C ASP A 66 -2.719 19.594 -0.584 1.00 43.25 C ATOM 1015 O ASP A 66 -2.382 18.577 0.022 1.00 45.44 O ATOM 1016 CB ASP A 66 -1.336 21.611 -1.113 1.00 50.42 C ATOM 1017 CG ASP A 66 -0.178 21.524 -0.140 1.00 31.04 C ATOM 1018 OD1 ASP A 66 -0.166 20.587 0.686 1.00 34.23 O ATOM 1019 OD2 ASP A 66 0.717 22.392 -0.204 1.00 22.03 O ATOM 0 H ASP A 66 -2.457 21.303 -3.287 1.00 24.24 H new ATOM 0 HA ASP A 66 -0.915 19.597 -1.732 1.00 4.41 H new ATOM 0 HB2 ASP A 66 -1.044 22.224 -1.966 1.00 50.42 H new ATOM 0 HB3 ASP A 66 -2.174 22.114 -0.631 1.00 50.42 H new ATOM 1024 N ALA A 67 -3.889 20.194 -0.395 1.00 51.54 N ATOM 1025 CA ALA A 67 -4.868 19.680 0.554 1.00 5.42 C ATOM 1026 C ALA A 67 -5.866 18.756 -0.132 1.00 70.11 C ATOM 1027 O ALA A 67 -7.032 18.689 0.253 1.00 11.34 O ATOM 1028 CB ALA A 67 -5.593 20.829 1.239 1.00 51.13 C ATOM 0 H ALA A 67 -4.182 21.038 -0.887 1.00 51.54 H new ATOM 0 HA ALA A 67 -4.336 19.100 1.308 1.00 5.42 H new ATOM 0 HB1 ALA A 67 -6.321 20.430 1.945 1.00 51.13 H new ATOM 0 HB2 ALA A 67 -4.872 21.448 1.772 1.00 51.13 H new ATOM 0 HB3 ALA A 67 -6.106 21.433 0.491 1.00 51.13 H new ATOM 1034 N ALA A 68 -5.400 18.043 -1.153 1.00 64.22 N ATOM 1035 CA ALA A 68 -6.253 17.121 -1.893 1.00 23.11 C ATOM 1036 C ALA A 68 -5.971 15.675 -1.498 1.00 45.44 C ATOM 1037 O ALA A 68 -6.819 14.800 -1.662 1.00 33.32 O ATOM 1038 CB ALA A 68 -6.058 17.309 -3.390 1.00 71.44 C ATOM 0 H ALA A 68 -4.437 18.086 -1.486 1.00 64.22 H new ATOM 0 HA ALA A 68 -7.290 17.343 -1.642 1.00 23.11 H new ATOM 0 HB1 ALA A 68 -6.701 16.614 -3.931 1.00 71.44 H new ATOM 0 HB2 ALA A 68 -6.316 18.332 -3.665 1.00 71.44 H new ATOM 0 HB3 ALA A 68 -5.017 17.116 -3.648 1.00 71.44 H new ATOM 1044 N PHE A 69 -4.772 15.432 -0.979 1.00 4.41 N ATOM 1045 CA PHE A 69 -4.376 14.092 -0.562 1.00 35.34 C ATOM 1046 C PHE A 69 -4.021 14.066 0.922 1.00 41.41 C ATOM 1047 O PHE A 69 -3.796 13.002 1.500 1.00 3.54 O ATOM 1048 CB PHE A 69 -3.186 13.606 -1.391 1.00 73.02 C ATOM 1049 CG PHE A 69 -2.138 14.660 -1.608 1.00 63.14 C ATOM 1050 CD1 PHE A 69 -1.468 15.221 -0.534 1.00 22.03 C ATOM 1051 CD2 PHE A 69 -1.822 15.089 -2.887 1.00 61.43 C ATOM 1052 CE1 PHE A 69 -0.503 16.190 -0.730 1.00 5.41 C ATOM 1053 CE2 PHE A 69 -0.857 16.057 -3.090 1.00 13.23 C ATOM 1054 CZ PHE A 69 -0.197 16.609 -2.010 1.00 12.23 C ATOM 0 H PHE A 69 -4.057 16.146 -0.837 1.00 4.41 H new ATOM 0 HA PHE A 69 -5.221 13.424 -0.727 1.00 35.34 H new ATOM 0 HB2 PHE A 69 -2.731 12.750 -0.893 1.00 73.02 H new ATOM 0 HB3 PHE A 69 -3.546 13.257 -2.359 1.00 73.02 H new ATOM 0 HD1 PHE A 69 -1.703 14.897 0.469 1.00 22.03 H new ATOM 0 HD2 PHE A 69 -2.336 14.662 -3.735 1.00 61.43 H new ATOM 0 HE1 PHE A 69 0.012 16.619 0.117 1.00 5.41 H new ATOM 0 HE2 PHE A 69 -0.619 16.381 -4.092 1.00 13.23 H new ATOM 0 HZ PHE A 69 0.557 17.367 -2.166 1.00 12.23 H new ATOM 1064 N LYS A 70 -3.971 15.245 1.533 1.00 62.24 N ATOM 1065 CA LYS A 70 -3.643 15.360 2.949 1.00 12.20 C ATOM 1066 C LYS A 70 -4.816 14.914 3.817 1.00 40.23 C ATOM 1067 O LYS A 70 -4.683 14.775 5.033 1.00 15.12 O ATOM 1068 CB LYS A 70 -3.263 16.803 3.289 1.00 11.24 C ATOM 1069 CG LYS A 70 -1.947 17.246 2.674 1.00 11.11 C ATOM 1070 CD LYS A 70 -1.736 18.743 2.826 1.00 54.24 C ATOM 1071 CE LYS A 70 -1.782 19.168 4.286 1.00 71.42 C ATOM 1072 NZ LYS A 70 -0.844 20.290 4.567 1.00 34.00 N ATOM 0 H LYS A 70 -4.154 16.135 1.069 1.00 62.24 H new ATOM 0 HA LYS A 70 -2.794 14.709 3.154 1.00 12.20 H new ATOM 0 HB2 LYS A 70 -4.056 17.469 2.948 1.00 11.24 H new ATOM 0 HB3 LYS A 70 -3.202 16.908 4.372 1.00 11.24 H new ATOM 0 HG2 LYS A 70 -1.124 16.712 3.149 1.00 11.11 H new ATOM 0 HG3 LYS A 70 -1.931 16.981 1.617 1.00 11.11 H new ATOM 0 HD2 LYS A 70 -0.774 19.021 2.395 1.00 54.24 H new ATOM 0 HD3 LYS A 70 -2.503 19.278 2.266 1.00 54.24 H new ATOM 0 HE2 LYS A 70 -2.797 19.470 4.545 1.00 71.42 H new ATOM 0 HE3 LYS A 70 -1.531 18.318 4.920 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 -0.905 20.550 5.572 1.00 34.00 H new ATOM 0 HZ2 LYS A 70 0.128 19.994 4.344 1.00 34.00 H new ATOM 0 HZ3 LYS A 70 -1.099 21.111 3.981 1.00 34.00 H new ATOM 1086 N LEU A 71 -5.963 14.691 3.184 1.00 24.14 N ATOM 1087 CA LEU A 71 -7.159 14.258 3.899 1.00 62.13 C ATOM 1088 C LEU A 71 -7.120 12.757 4.167 1.00 13.33 C ATOM 1089 O LEU A 71 -6.237 12.054 3.680 1.00 64.42 O ATOM 1090 CB LEU A 71 -8.412 14.612 3.096 1.00 72.44 C ATOM 1091 CG LEU A 71 -8.393 15.964 2.382 1.00 33.03 C ATOM 1092 CD1 LEU A 71 -9.489 16.028 1.330 1.00 42.52 C ATOM 1093 CD2 LEU A 71 -8.549 17.098 3.386 1.00 22.04 C ATOM 0 H LEU A 71 -6.090 14.803 2.178 1.00 24.14 H new ATOM 0 HA LEU A 71 -7.189 14.778 4.856 1.00 62.13 H new ATOM 0 HB2 LEU A 71 -8.574 13.833 2.351 1.00 72.44 H new ATOM 0 HB3 LEU A 71 -9.269 14.592 3.770 1.00 72.44 H new ATOM 0 HG LEU A 71 -7.431 16.076 1.882 1.00 33.03 H new ATOM 0 HD11 LEU A 71 -9.460 16.997 0.833 1.00 42.52 H new ATOM 0 HD12 LEU A 71 -9.334 15.238 0.595 1.00 42.52 H new ATOM 0 HD13 LEU A 71 -10.460 15.894 1.807 1.00 42.52 H new ATOM 0 HD21 LEU A 71 -8.533 18.053 2.861 1.00 22.04 H new ATOM 0 HD22 LEU A 71 -9.497 16.989 3.913 1.00 22.04 H new ATOM 0 HD23 LEU A 71 -7.729 17.065 4.103 1.00 22.04 H new ATOM 1105 N GLN A 72 -8.084 12.275 4.945 1.00 13.44 N ATOM 1106 CA GLN A 72 -8.160 10.858 5.278 1.00 54.44 C ATOM 1107 C GLN A 72 -9.161 10.141 4.378 1.00 63.02 C ATOM 1108 O GLN A 72 -9.808 10.761 3.534 1.00 0.14 O ATOM 1109 CB GLN A 72 -8.555 10.677 6.744 1.00 23.02 C ATOM 1110 CG GLN A 72 -7.466 11.090 7.722 1.00 72.30 C ATOM 1111 CD GLN A 72 -7.858 10.849 9.168 1.00 43.24 C ATOM 1112 OE1 GLN A 72 -8.258 11.773 9.876 1.00 2.42 O ATOM 1113 NE2 GLN A 72 -7.745 9.603 9.612 1.00 13.42 N ATOM 0 H GLN A 72 -8.823 12.845 5.356 1.00 13.44 H new ATOM 0 HA GLN A 72 -7.175 10.420 5.118 1.00 54.44 H new ATOM 0 HB2 GLN A 72 -9.453 11.261 6.945 1.00 23.02 H new ATOM 0 HB3 GLN A 72 -8.810 9.631 6.917 1.00 23.02 H new ATOM 0 HG2 GLN A 72 -6.554 10.536 7.500 1.00 72.30 H new ATOM 0 HG3 GLN A 72 -7.239 12.147 7.582 1.00 72.30 H new ATOM 0 HE21 GLN A 72 -7.409 8.868 8.989 1.00 13.42 H new ATOM 0 HE22 GLN A 72 -7.994 9.380 10.576 1.00 13.42 H new ATOM 1122 N VAL A 73 -9.283 8.830 4.563 1.00 1.24 N ATOM 1123 CA VAL A 73 -10.206 8.028 3.768 1.00 23.25 C ATOM 1124 C VAL A 73 -11.653 8.416 4.049 1.00 40.53 C ATOM 1125 O VAL A 73 -12.294 7.863 4.940 1.00 22.21 O ATOM 1126 CB VAL A 73 -10.026 6.524 4.048 1.00 64.02 C ATOM 1127 CG1 VAL A 73 -11.015 5.707 3.231 1.00 0.15 C ATOM 1128 CG2 VAL A 73 -8.596 6.095 3.755 1.00 41.52 C ATOM 0 H VAL A 73 -8.754 8.301 5.256 1.00 1.24 H new ATOM 0 HA VAL A 73 -9.977 8.226 2.721 1.00 23.25 H new ATOM 0 HB VAL A 73 -10.226 6.342 5.104 1.00 64.02 H new ATOM 0 HG11 VAL A 73 -10.873 4.647 3.442 1.00 0.15 H new ATOM 0 HG12 VAL A 73 -12.032 5.997 3.495 1.00 0.15 H new ATOM 0 HG13 VAL A 73 -10.850 5.891 2.169 1.00 0.15 H new ATOM 0 HG21 VAL A 73 -8.487 5.030 3.958 1.00 41.52 H new ATOM 0 HG22 VAL A 73 -8.365 6.290 2.708 1.00 41.52 H new ATOM 0 HG23 VAL A 73 -7.910 6.657 4.389 1.00 41.52 H new ATOM 1138 N GLY A 74 -12.163 9.374 3.278 1.00 22.35 N ATOM 1139 CA GLY A 74 -13.531 9.821 3.459 1.00 22.42 C ATOM 1140 C GLY A 74 -13.627 11.066 4.318 1.00 64.00 C ATOM 1141 O GLY A 74 -14.656 11.318 4.943 1.00 42.40 O ATOM 0 H GLY A 74 -11.652 9.847 2.532 1.00 22.35 H new ATOM 0 HA2 GLY A 74 -13.976 10.021 2.484 1.00 22.42 H new ATOM 0 HA3 GLY A 74 -14.113 9.022 3.917 1.00 22.42 H new ATOM 1145 N GLU A 75 -12.549 11.844 4.350 1.00 15.41 N ATOM 1146 CA GLU A 75 -12.517 13.068 5.143 1.00 44.32 C ATOM 1147 C GLU A 75 -12.614 14.299 4.246 1.00 51.53 C ATOM 1148 O GLU A 75 -11.903 14.412 3.248 1.00 53.45 O ATOM 1149 CB GLU A 75 -11.232 13.130 5.973 1.00 34.32 C ATOM 1150 CG GLU A 75 -11.472 13.027 7.470 1.00 3.32 C ATOM 1151 CD GLU A 75 -12.300 11.815 7.848 1.00 52.22 C ATOM 1152 OE1 GLU A 75 -13.543 11.932 7.870 1.00 33.22 O ATOM 1153 OE2 GLU A 75 -11.706 10.752 8.120 1.00 35.25 O ATOM 0 H GLU A 75 -11.689 11.649 3.838 1.00 15.41 H new ATOM 0 HA GLU A 75 -13.376 13.059 5.814 1.00 44.32 H new ATOM 0 HB2 GLU A 75 -10.569 12.322 5.663 1.00 34.32 H new ATOM 0 HB3 GLU A 75 -10.716 14.066 5.759 1.00 34.32 H new ATOM 0 HG2 GLU A 75 -10.513 12.981 7.985 1.00 3.32 H new ATOM 0 HG3 GLU A 75 -11.977 13.929 7.816 1.00 3.32 H new ATOM 1160 N VAL A 76 -13.502 15.220 4.609 1.00 21.11 N ATOM 1161 CA VAL A 76 -13.694 16.443 3.839 1.00 5.14 C ATOM 1162 C VAL A 76 -12.661 17.498 4.218 1.00 50.24 C ATOM 1163 O VAL A 76 -12.344 17.678 5.394 1.00 54.34 O ATOM 1164 CB VAL A 76 -15.105 17.023 4.050 1.00 42.25 C ATOM 1165 CG1 VAL A 76 -15.277 18.310 3.258 1.00 23.20 C ATOM 1166 CG2 VAL A 76 -16.163 16.002 3.660 1.00 72.23 C ATOM 0 H VAL A 76 -14.100 15.142 5.432 1.00 21.11 H new ATOM 0 HA VAL A 76 -13.571 16.179 2.789 1.00 5.14 H new ATOM 0 HB VAL A 76 -15.229 17.256 5.107 1.00 42.25 H new ATOM 0 HG11 VAL A 76 -16.280 18.705 3.419 1.00 23.20 H new ATOM 0 HG12 VAL A 76 -14.541 19.042 3.589 1.00 23.20 H new ATOM 0 HG13 VAL A 76 -15.134 18.106 2.197 1.00 23.20 H new ATOM 0 HG21 VAL A 76 -17.154 16.428 3.815 1.00 72.23 H new ATOM 0 HG22 VAL A 76 -16.043 15.736 2.610 1.00 72.23 H new ATOM 0 HG23 VAL A 76 -16.051 15.109 4.275 1.00 72.23 H new ATOM 1176 N SER A 77 -12.139 18.194 3.214 1.00 64.14 N ATOM 1177 CA SER A 77 -11.138 19.231 3.440 1.00 10.21 C ATOM 1178 C SER A 77 -11.798 20.538 3.870 1.00 65.44 C ATOM 1179 O SER A 77 -12.990 20.573 4.171 1.00 21.21 O ATOM 1180 CB SER A 77 -10.310 19.456 2.174 1.00 41.35 C ATOM 1181 OG SER A 77 -9.090 20.111 2.472 1.00 12.51 O ATOM 0 H SER A 77 -12.392 18.059 2.235 1.00 64.14 H new ATOM 0 HA SER A 77 -10.479 18.896 4.241 1.00 10.21 H new ATOM 0 HB2 SER A 77 -10.105 18.499 1.695 1.00 41.35 H new ATOM 0 HB3 SER A 77 -10.882 20.052 1.463 1.00 41.35 H new ATOM 0 HG SER A 77 -8.579 20.241 1.646 1.00 12.51 H new ATOM 1187 N GLU A 78 -11.011 21.609 3.895 1.00 52.42 N ATOM 1188 CA GLU A 78 -11.518 22.919 4.289 1.00 73.14 C ATOM 1189 C GLU A 78 -11.760 23.799 3.065 1.00 41.21 C ATOM 1190 O GLU A 78 -11.266 23.532 1.969 1.00 1.13 O ATOM 1191 CB GLU A 78 -10.537 23.606 5.239 1.00 4.54 C ATOM 1192 CG GLU A 78 -9.511 22.661 5.842 1.00 24.11 C ATOM 1193 CD GLU A 78 -8.561 23.362 6.794 1.00 25.30 C ATOM 1194 OE1 GLU A 78 -8.178 24.516 6.507 1.00 64.25 O ATOM 1195 OE2 GLU A 78 -8.199 22.757 7.825 1.00 64.12 O ATOM 0 H GLU A 78 -10.022 21.596 3.648 1.00 52.42 H new ATOM 0 HA GLU A 78 -12.468 22.773 4.804 1.00 73.14 H new ATOM 0 HB2 GLU A 78 -10.017 24.398 4.700 1.00 4.54 H new ATOM 0 HB3 GLU A 78 -11.097 24.083 6.044 1.00 4.54 H new ATOM 0 HG2 GLU A 78 -10.027 21.861 6.373 1.00 24.11 H new ATOM 0 HG3 GLU A 78 -8.938 22.194 5.041 1.00 24.11 H new ATOM 1202 N PRO A 79 -12.538 24.875 3.255 1.00 33.22 N ATOM 1203 CA PRO A 79 -12.863 25.817 2.180 1.00 65.23 C ATOM 1204 C PRO A 79 -11.656 26.644 1.749 1.00 31.13 C ATOM 1205 O PRO A 79 -11.475 27.775 2.201 1.00 25.44 O ATOM 1206 CB PRO A 79 -13.932 26.715 2.806 1.00 52.42 C ATOM 1207 CG PRO A 79 -13.676 26.642 4.272 1.00 12.54 C ATOM 1208 CD PRO A 79 -13.161 25.255 4.535 1.00 61.43 C ATOM 0 HA PRO A 79 -13.193 25.306 1.276 1.00 65.23 H new ATOM 0 HB2 PRO A 79 -13.853 27.739 2.441 1.00 52.42 H new ATOM 0 HB3 PRO A 79 -14.935 26.366 2.561 1.00 52.42 H new ATOM 0 HG2 PRO A 79 -12.948 27.393 4.579 1.00 12.54 H new ATOM 0 HG3 PRO A 79 -14.588 26.833 4.837 1.00 12.54 H new ATOM 0 HD2 PRO A 79 -12.440 25.242 5.352 1.00 61.43 H new ATOM 0 HD3 PRO A 79 -13.966 24.573 4.809 1.00 61.43 H new ATOM 1216 N ILE A 80 -10.836 26.073 0.874 1.00 5.31 N ATOM 1217 CA ILE A 80 -9.648 26.759 0.383 1.00 45.24 C ATOM 1218 C ILE A 80 -10.015 27.841 -0.626 1.00 53.44 C ATOM 1219 O ILE A 80 -10.438 27.545 -1.746 1.00 24.04 O ATOM 1220 CB ILE A 80 -8.660 25.775 -0.274 1.00 2.53 C ATOM 1221 CG1 ILE A 80 -8.466 24.546 0.616 1.00 61.42 C ATOM 1222 CG2 ILE A 80 -7.328 26.460 -0.538 1.00 1.51 C ATOM 1223 CD1 ILE A 80 -7.853 24.864 1.961 1.00 30.30 C ATOM 0 H ILE A 80 -10.972 25.138 0.491 1.00 5.31 H new ATOM 0 HA ILE A 80 -9.170 27.219 1.248 1.00 45.24 H new ATOM 0 HB ILE A 80 -9.074 25.449 -1.228 1.00 2.53 H new ATOM 0 HG12 ILE A 80 -9.431 24.064 0.771 1.00 61.42 H new ATOM 0 HG13 ILE A 80 -7.831 23.828 0.097 1.00 61.42 H new ATOM 0 HG21 ILE A 80 -6.641 25.753 -1.002 1.00 1.51 H new ATOM 0 HG22 ILE A 80 -7.481 27.308 -1.205 1.00 1.51 H new ATOM 0 HG23 ILE A 80 -6.906 26.811 0.404 1.00 1.51 H new ATOM 0 HD11 ILE A 80 -7.745 23.946 2.538 1.00 30.30 H new ATOM 0 HD12 ILE A 80 -6.873 25.319 1.816 1.00 30.30 H new ATOM 0 HD13 ILE A 80 -8.498 25.557 2.500 1.00 30.30 H new ATOM 1235 N LYS A 81 -9.852 29.098 -0.225 1.00 72.22 N ATOM 1236 CA LYS A 81 -10.164 30.226 -1.095 1.00 70.02 C ATOM 1237 C LYS A 81 -9.099 30.391 -2.176 1.00 34.24 C ATOM 1238 O LYS A 81 -7.950 30.716 -1.882 1.00 24.32 O ATOM 1239 CB LYS A 81 -10.276 31.512 -0.274 1.00 74.03 C ATOM 1240 CG LYS A 81 -10.743 32.710 -1.083 1.00 54.41 C ATOM 1241 CD LYS A 81 -12.114 33.188 -0.633 1.00 21.24 C ATOM 1242 CE LYS A 81 -12.584 34.381 -1.450 1.00 54.11 C ATOM 1243 NZ LYS A 81 -11.845 35.623 -1.094 1.00 51.55 N ATOM 0 H LYS A 81 -9.505 29.361 0.698 1.00 72.22 H new ATOM 0 HA LYS A 81 -11.120 30.026 -1.580 1.00 70.02 H new ATOM 0 HB2 LYS A 81 -10.970 31.348 0.550 1.00 74.03 H new ATOM 0 HB3 LYS A 81 -9.305 31.738 0.167 1.00 74.03 H new ATOM 0 HG2 LYS A 81 -10.023 33.522 -0.982 1.00 54.41 H new ATOM 0 HG3 LYS A 81 -10.778 32.445 -2.140 1.00 54.41 H new ATOM 0 HD2 LYS A 81 -12.833 32.375 -0.728 1.00 21.24 H new ATOM 0 HD3 LYS A 81 -12.078 33.460 0.422 1.00 21.24 H new ATOM 0 HE2 LYS A 81 -12.450 34.170 -2.511 1.00 54.11 H new ATOM 0 HE3 LYS A 81 -13.651 34.534 -1.288 1.00 54.11 H new ATOM 0 HZ1 LYS A 81 -12.206 36.417 -1.661 1.00 51.55 H new ATOM 0 HZ2 LYS A 81 -11.980 35.830 -0.084 1.00 51.55 H new ATOM 0 HZ3 LYS A 81 -10.832 35.492 -1.289 1.00 51.55 H new ATOM 1257 N SER A 82 -9.492 30.166 -3.426 1.00 14.43 N ATOM 1258 CA SER A 82 -8.570 30.288 -4.549 1.00 33.22 C ATOM 1259 C SER A 82 -9.188 31.119 -5.670 1.00 70.21 C ATOM 1260 O SER A 82 -10.255 31.708 -5.503 1.00 44.41 O ATOM 1261 CB SER A 82 -8.190 28.902 -5.076 1.00 4.43 C ATOM 1262 OG SER A 82 -8.353 27.914 -4.074 1.00 24.10 O ATOM 0 H SER A 82 -10.441 29.899 -3.686 1.00 14.43 H new ATOM 0 HA SER A 82 -7.671 30.795 -4.197 1.00 33.22 H new ATOM 0 HB2 SER A 82 -8.809 28.655 -5.939 1.00 4.43 H new ATOM 0 HB3 SER A 82 -7.155 28.911 -5.418 1.00 4.43 H new ATOM 0 HG SER A 82 -8.105 27.037 -4.436 1.00 24.10 H new ATOM 1268 N GLU A 83 -8.508 31.158 -6.811 1.00 61.24 N ATOM 1269 CA GLU A 83 -8.989 31.917 -7.961 1.00 22.24 C ATOM 1270 C GLU A 83 -10.395 31.474 -8.355 1.00 14.44 C ATOM 1271 O GLU A 83 -11.190 32.270 -8.856 1.00 33.32 O ATOM 1272 CB GLU A 83 -8.038 31.748 -9.146 1.00 63.42 C ATOM 1273 CG GLU A 83 -8.074 30.358 -9.762 1.00 11.44 C ATOM 1274 CD GLU A 83 -6.752 29.964 -10.390 1.00 25.52 C ATOM 1275 OE1 GLU A 83 -5.776 29.756 -9.636 1.00 12.11 O ATOM 1276 OE2 GLU A 83 -6.690 29.862 -11.632 1.00 73.23 O ATOM 0 H GLU A 83 -7.623 30.674 -6.965 1.00 61.24 H new ATOM 0 HA GLU A 83 -9.024 32.970 -7.681 1.00 22.24 H new ATOM 0 HB2 GLU A 83 -8.290 32.482 -9.911 1.00 63.42 H new ATOM 0 HB3 GLU A 83 -7.021 31.965 -8.819 1.00 63.42 H new ATOM 0 HG2 GLU A 83 -8.338 29.631 -8.994 1.00 11.44 H new ATOM 0 HG3 GLU A 83 -8.857 30.320 -10.519 1.00 11.44 H new ATOM 1283 N PHE A 84 -10.694 30.200 -8.125 1.00 14.33 N ATOM 1284 CA PHE A 84 -12.003 29.650 -8.457 1.00 14.31 C ATOM 1285 C PHE A 84 -12.963 29.778 -7.276 1.00 65.42 C ATOM 1286 O PHE A 84 -14.180 29.744 -7.446 1.00 10.31 O ATOM 1287 CB PHE A 84 -11.874 28.183 -8.867 1.00 73.54 C ATOM 1288 CG PHE A 84 -10.818 27.942 -9.907 1.00 72.25 C ATOM 1289 CD1 PHE A 84 -10.854 28.616 -11.118 1.00 45.02 C ATOM 1290 CD2 PHE A 84 -9.790 27.043 -9.675 1.00 72.45 C ATOM 1291 CE1 PHE A 84 -9.883 28.395 -12.077 1.00 44.35 C ATOM 1292 CE2 PHE A 84 -8.816 26.818 -10.631 1.00 12.21 C ATOM 1293 CZ PHE A 84 -8.863 27.497 -11.833 1.00 24.24 C ATOM 0 H PHE A 84 -10.048 29.529 -7.710 1.00 14.33 H new ATOM 0 HA PHE A 84 -12.407 30.220 -9.294 1.00 14.31 H new ATOM 0 HB2 PHE A 84 -11.646 27.586 -7.984 1.00 73.54 H new ATOM 0 HB3 PHE A 84 -12.834 27.835 -9.248 1.00 73.54 H new ATOM 0 HD1 PHE A 84 -11.649 29.321 -11.314 1.00 45.02 H new ATOM 0 HD2 PHE A 84 -9.748 26.511 -8.736 1.00 72.45 H new ATOM 0 HE1 PHE A 84 -9.922 28.925 -13.017 1.00 44.35 H new ATOM 0 HE2 PHE A 84 -8.021 26.113 -10.438 1.00 12.21 H new ATOM 0 HZ PHE A 84 -8.103 27.326 -12.581 1.00 24.24 H new ATOM 1303 N GLY A 85 -12.402 29.923 -6.079 1.00 42.44 N ATOM 1304 CA GLY A 85 -13.221 30.052 -4.888 1.00 63.42 C ATOM 1305 C GLY A 85 -12.884 29.012 -3.838 1.00 12.22 C ATOM 1306 O GLY A 85 -11.752 28.530 -3.771 1.00 53.52 O ATOM 0 H GLY A 85 -11.396 29.953 -5.913 1.00 42.44 H new ATOM 0 HA2 GLY A 85 -13.087 31.048 -4.465 1.00 63.42 H new ATOM 0 HA3 GLY A 85 -14.272 29.960 -5.162 1.00 63.42 H new ATOM 1310 N TYR A 86 -13.867 28.666 -3.014 1.00 62.22 N ATOM 1311 CA TYR A 86 -13.668 27.679 -1.959 1.00 45.13 C ATOM 1312 C TYR A 86 -13.682 26.263 -2.528 1.00 13.32 C ATOM 1313 O TYR A 86 -14.666 25.834 -3.131 1.00 71.01 O ATOM 1314 CB TYR A 86 -14.750 27.822 -0.888 1.00 74.12 C ATOM 1315 CG TYR A 86 -14.700 29.140 -0.148 1.00 31.40 C ATOM 1316 CD1 TYR A 86 -13.575 29.511 0.575 1.00 23.21 C ATOM 1317 CD2 TYR A 86 -15.780 30.015 -0.175 1.00 24.34 C ATOM 1318 CE1 TYR A 86 -13.525 30.713 1.253 1.00 51.12 C ATOM 1319 CE2 TYR A 86 -15.738 31.220 0.499 1.00 73.21 C ATOM 1320 CZ TYR A 86 -14.610 31.565 1.212 1.00 24.40 C ATOM 1321 OH TYR A 86 -14.563 32.764 1.885 1.00 74.24 O ATOM 0 H TYR A 86 -14.809 29.054 -3.056 1.00 62.22 H new ATOM 0 HA TYR A 86 -12.693 27.859 -1.507 1.00 45.13 H new ATOM 0 HB2 TYR A 86 -15.729 27.715 -1.356 1.00 74.12 H new ATOM 0 HB3 TYR A 86 -14.649 27.008 -0.170 1.00 74.12 H new ATOM 0 HD1 TYR A 86 -12.723 28.848 0.608 1.00 23.21 H new ATOM 0 HD2 TYR A 86 -16.666 29.748 -0.732 1.00 24.34 H new ATOM 0 HE1 TYR A 86 -12.642 30.985 1.812 1.00 51.12 H new ATOM 0 HE2 TYR A 86 -16.585 31.889 0.467 1.00 73.21 H new ATOM 0 HH TYR A 86 -15.406 33.246 1.754 1.00 74.24 H new ATOM 1331 N HIS A 87 -12.584 25.542 -2.330 1.00 3.13 N ATOM 1332 CA HIS A 87 -12.470 24.173 -2.821 1.00 4.52 C ATOM 1333 C HIS A 87 -12.738 23.170 -1.703 1.00 21.02 C ATOM 1334 O HIS A 87 -12.102 23.216 -0.649 1.00 74.12 O ATOM 1335 CB HIS A 87 -11.080 23.935 -3.411 1.00 43.34 C ATOM 1336 CG HIS A 87 -10.858 24.627 -4.721 1.00 53.12 C ATOM 1337 ND1 HIS A 87 -11.020 24.001 -5.939 1.00 45.15 N ATOM 1338 CD2 HIS A 87 -10.489 25.899 -4.999 1.00 12.52 C ATOM 1339 CE1 HIS A 87 -10.757 24.858 -6.909 1.00 41.15 C ATOM 1340 NE2 HIS A 87 -10.433 26.017 -6.366 1.00 14.20 N ATOM 0 H HIS A 87 -11.761 25.882 -1.833 1.00 3.13 H new ATOM 0 HA HIS A 87 -13.218 24.030 -3.601 1.00 4.52 H new ATOM 0 HB2 HIS A 87 -10.329 24.275 -2.698 1.00 43.34 H new ATOM 0 HB3 HIS A 87 -10.930 22.864 -3.545 1.00 43.34 H new ATOM 0 HD1 HIS A 87 -11.299 23.029 -6.070 1.00 45.15 H new ATOM 0 HD2 HIS A 87 -10.278 26.676 -4.280 1.00 12.52 H new ATOM 0 HE1 HIS A 87 -10.800 24.646 -7.967 1.00 41.15 H new ATOM 1348 N ILE A 88 -13.685 22.268 -1.939 1.00 64.32 N ATOM 1349 CA ILE A 88 -14.036 21.255 -0.951 1.00 63.24 C ATOM 1350 C ILE A 88 -13.644 19.861 -1.430 1.00 63.05 C ATOM 1351 O ILE A 88 -14.454 19.146 -2.022 1.00 45.35 O ATOM 1352 CB ILE A 88 -15.545 21.272 -0.640 1.00 44.42 C ATOM 1353 CG1 ILE A 88 -15.962 22.646 -0.114 1.00 14.20 C ATOM 1354 CG2 ILE A 88 -15.890 20.186 0.367 1.00 23.44 C ATOM 1355 CD1 ILE A 88 -15.312 23.014 1.201 1.00 3.22 C ATOM 0 H ILE A 88 -14.222 22.218 -2.805 1.00 64.32 H new ATOM 0 HA ILE A 88 -13.482 21.494 -0.043 1.00 63.24 H new ATOM 0 HB ILE A 88 -16.094 21.074 -1.560 1.00 44.42 H new ATOM 0 HG12 ILE A 88 -15.711 23.402 -0.858 1.00 14.20 H new ATOM 0 HG13 ILE A 88 -17.045 22.666 0.008 1.00 14.20 H new ATOM 0 HG21 ILE A 88 -16.959 20.211 0.577 1.00 23.44 H new ATOM 0 HG22 ILE A 88 -15.623 19.212 -0.043 1.00 23.44 H new ATOM 0 HG23 ILE A 88 -15.335 20.356 1.290 1.00 23.44 H new ATOM 0 HD11 ILE A 88 -15.654 24.001 1.513 1.00 3.22 H new ATOM 0 HD12 ILE A 88 -15.584 22.280 1.959 1.00 3.22 H new ATOM 0 HD13 ILE A 88 -14.229 23.027 1.080 1.00 3.22 H new ATOM 1367 N ILE A 89 -12.398 19.480 -1.169 1.00 10.31 N ATOM 1368 CA ILE A 89 -11.899 18.171 -1.571 1.00 14.52 C ATOM 1369 C ILE A 89 -12.303 17.098 -0.567 1.00 32.34 C ATOM 1370 O ILE A 89 -12.198 17.293 0.645 1.00 31.00 O ATOM 1371 CB ILE A 89 -10.366 18.173 -1.714 1.00 63.23 C ATOM 1372 CG1 ILE A 89 -9.906 19.402 -2.502 1.00 14.14 C ATOM 1373 CG2 ILE A 89 -9.896 16.895 -2.395 1.00 51.24 C ATOM 1374 CD1 ILE A 89 -9.191 20.429 -1.653 1.00 50.35 C ATOM 0 H ILE A 89 -11.715 20.060 -0.681 1.00 10.31 H new ATOM 0 HA ILE A 89 -12.346 17.946 -2.540 1.00 14.52 H new ATOM 0 HB ILE A 89 -9.924 18.216 -0.719 1.00 63.23 H new ATOM 0 HG12 ILE A 89 -9.243 19.081 -3.306 1.00 14.14 H new ATOM 0 HG13 ILE A 89 -10.772 19.869 -2.970 1.00 14.14 H new ATOM 0 HG21 ILE A 89 -8.810 16.911 -2.489 1.00 51.24 H new ATOM 0 HG22 ILE A 89 -10.196 16.033 -1.799 1.00 51.24 H new ATOM 0 HG23 ILE A 89 -10.345 16.824 -3.386 1.00 51.24 H new ATOM 0 HD11 ILE A 89 -8.893 21.272 -2.276 1.00 50.35 H new ATOM 0 HD12 ILE A 89 -9.858 20.778 -0.865 1.00 50.35 H new ATOM 0 HD13 ILE A 89 -8.305 19.978 -1.205 1.00 50.35 H new ATOM 1386 N LYS A 90 -12.764 15.961 -1.077 1.00 74.45 N ATOM 1387 CA LYS A 90 -13.182 14.853 -0.227 1.00 31.02 C ATOM 1388 C LYS A 90 -12.723 13.519 -0.806 1.00 73.44 C ATOM 1389 O LYS A 90 -13.106 13.150 -1.918 1.00 4.12 O ATOM 1390 CB LYS A 90 -14.704 14.853 -0.062 1.00 41.41 C ATOM 1391 CG LYS A 90 -15.223 13.724 0.810 1.00 64.02 C ATOM 1392 CD LYS A 90 -16.709 13.493 0.599 1.00 2.44 C ATOM 1393 CE LYS A 90 -17.140 12.127 1.109 1.00 32.20 C ATOM 1394 NZ LYS A 90 -18.614 11.941 1.017 1.00 73.44 N ATOM 0 H LYS A 90 -12.858 15.783 -2.077 1.00 74.45 H new ATOM 0 HA LYS A 90 -12.717 14.984 0.750 1.00 31.02 H new ATOM 0 HB2 LYS A 90 -15.014 15.805 0.369 1.00 41.41 H new ATOM 0 HB3 LYS A 90 -15.167 14.783 -1.046 1.00 41.41 H new ATOM 0 HG2 LYS A 90 -14.676 12.808 0.585 1.00 64.02 H new ATOM 0 HG3 LYS A 90 -15.036 13.957 1.858 1.00 64.02 H new ATOM 0 HD2 LYS A 90 -17.275 14.269 1.113 1.00 2.44 H new ATOM 0 HD3 LYS A 90 -16.944 13.577 -0.462 1.00 2.44 H new ATOM 0 HE2 LYS A 90 -16.639 11.349 0.532 1.00 32.20 H new ATOM 0 HE3 LYS A 90 -16.823 12.010 2.145 1.00 32.20 H new ATOM 0 HZ1 LYS A 90 -18.895 11.114 1.581 1.00 73.44 H new ATOM 0 HZ2 LYS A 90 -19.094 12.788 1.381 1.00 73.44 H new ATOM 0 HZ3 LYS A 90 -18.884 11.790 0.024 1.00 73.44 H new ATOM 1408 N ARG A 91 -11.904 12.798 -0.048 1.00 13.22 N ATOM 1409 CA ARG A 91 -11.395 11.505 -0.487 1.00 1.45 C ATOM 1410 C ARG A 91 -12.509 10.463 -0.516 1.00 61.31 C ATOM 1411 O ARG A 91 -13.422 10.492 0.309 1.00 73.02 O ATOM 1412 CB ARG A 91 -10.269 11.036 0.437 1.00 62.03 C ATOM 1413 CG ARG A 91 -9.745 9.648 0.102 1.00 13.53 C ATOM 1414 CD ARG A 91 -8.393 9.393 0.750 1.00 11.22 C ATOM 1415 NE ARG A 91 -8.059 7.972 0.775 1.00 62.02 N ATOM 1416 CZ ARG A 91 -6.820 7.511 0.909 1.00 62.13 C ATOM 1417 NH1 ARG A 91 -5.805 8.354 1.031 1.00 42.24 N ATOM 1418 NH2 ARG A 91 -6.595 6.203 0.922 1.00 33.34 N ATOM 0 H ARG A 91 -11.579 13.088 0.874 1.00 13.22 H new ATOM 0 HA ARG A 91 -11.003 11.622 -1.497 1.00 1.45 H new ATOM 0 HB2 ARG A 91 -9.446 11.749 0.384 1.00 62.03 H new ATOM 0 HB3 ARG A 91 -10.629 11.041 1.466 1.00 62.03 H new ATOM 0 HG2 ARG A 91 -10.459 8.897 0.439 1.00 13.53 H new ATOM 0 HG3 ARG A 91 -9.658 9.542 -0.979 1.00 13.53 H new ATOM 0 HD2 ARG A 91 -7.621 9.937 0.206 1.00 11.22 H new ATOM 0 HD3 ARG A 91 -8.400 9.782 1.768 1.00 11.22 H new ATOM 0 HE ARG A 91 -8.818 7.296 0.685 1.00 62.02 H new ATOM 0 HH11 ARG A 91 -5.974 9.360 1.022 1.00 42.24 H new ATOM 0 HH12 ARG A 91 -4.855 7.997 1.134 1.00 42.24 H new ATOM 0 HH21 ARG A 91 -7.374 5.551 0.829 1.00 33.34 H new ATOM 0 HH22 ARG A 91 -5.644 5.850 1.025 1.00 33.34 H new ATOM 1432 N PHE A 92 -12.427 9.544 -1.473 1.00 74.20 N ATOM 1433 CA PHE A 92 -13.430 8.494 -1.611 1.00 62.11 C ATOM 1434 C PHE A 92 -12.793 7.113 -1.479 1.00 62.01 C ATOM 1435 O PHE A 92 -13.426 6.168 -1.011 1.00 13.22 O ATOM 1436 CB PHE A 92 -14.140 8.612 -2.961 1.00 11.41 C ATOM 1437 CG PHE A 92 -15.328 9.532 -2.935 1.00 4.34 C ATOM 1438 CD1 PHE A 92 -15.194 10.844 -2.509 1.00 55.54 C ATOM 1439 CD2 PHE A 92 -16.575 9.086 -3.336 1.00 75.43 C ATOM 1440 CE1 PHE A 92 -16.285 11.692 -2.484 1.00 54.31 C ATOM 1441 CE2 PHE A 92 -17.670 9.930 -3.314 1.00 31.15 C ATOM 1442 CZ PHE A 92 -17.524 11.235 -2.888 1.00 20.12 C ATOM 0 H PHE A 92 -11.677 9.505 -2.164 1.00 74.20 H new ATOM 0 HA PHE A 92 -14.161 8.617 -0.811 1.00 62.11 H new ATOM 0 HB2 PHE A 92 -13.430 8.970 -3.706 1.00 11.41 H new ATOM 0 HB3 PHE A 92 -14.464 7.621 -3.280 1.00 11.41 H new ATOM 0 HD1 PHE A 92 -14.227 11.207 -2.193 1.00 55.54 H new ATOM 0 HD2 PHE A 92 -16.694 8.066 -3.670 1.00 75.43 H new ATOM 0 HE1 PHE A 92 -16.169 12.712 -2.149 1.00 54.31 H new ATOM 0 HE2 PHE A 92 -18.638 9.569 -3.630 1.00 31.15 H new ATOM 0 HZ PHE A 92 -18.377 11.897 -2.871 1.00 20.12 H new ATOM 1452 N GLY A 93 -11.535 7.006 -1.895 1.00 21.01 N ATOM 1453 CA GLY A 93 -10.832 5.739 -1.815 1.00 52.12 C ATOM 1454 C GLY A 93 -10.897 5.126 -0.430 1.00 42.21 C ATOM 1455 O GLY A 93 -9.890 4.648 0.092 1.00 41.42 O ATOM 0 H GLY A 93 -10.990 7.774 -2.286 1.00 21.01 H new ATOM 0 HA2 GLY A 93 -11.260 5.044 -2.537 1.00 52.12 H new ATOM 0 HA3 GLY A 93 -9.789 5.887 -2.095 1.00 52.12 H new