USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 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= -0.847 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.77! C(o=-7.6!,f=-8.2!) USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -1.78! C(o=-5!,f=-0.49!) USER MOD Set 2.2: A 40 SER OG : rot -170:sc= 0.561 USER MOD Set 2.3: A 45 SER OG : rot 116:sc= 0.729 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= 1.33 (180deg=-0.355) USER MOD Single : A 8 CYS SG : rot -126:sc= -2.99! USER MOD Single : A 9 SER OG : rot 96:sc= 1.31 USER MOD Single : A 14 SER OG : rot -51:sc= 0.00435 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.00071) USER MOD Single : A 17 SER OG : rot 180:sc= 0.013 USER MOD Single : A 23 MET CE :methyl -178:sc= -2.02 (180deg=-2.06) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0925) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.146 (180deg=-0.639) USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -0.249 (180deg=-1.71!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.0743 (180deg=-0.541) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.121) USER MOD Single : A 49 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.19) USER MOD Single : A 51 ASN : amide:sc= -0.136 K(o=-0.14,f=-2!) 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+ 170:sc= 0 (180deg=-0.0593) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= 0.0176 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.15) USER MOD Single : A 77 SER OG : rot -140:sc= -0.769 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.821 7.782 -7.307 1.00 61.24 N ATOM 48 CA LYS A 5 -3.085 8.501 -7.412 1.00 4.45 C ATOM 49 C LYS A 5 -4.068 8.031 -6.345 1.00 1.24 C ATOM 50 O LYS A 5 -3.907 6.953 -5.772 1.00 1.23 O ATOM 51 CB LYS A 5 -3.693 8.309 -8.803 1.00 20.52 C ATOM 52 CG LYS A 5 -3.286 7.005 -9.469 1.00 14.25 C ATOM 53 CD LYS A 5 -3.930 6.853 -10.836 1.00 44.21 C ATOM 54 CE LYS A 5 -2.905 6.476 -11.895 1.00 14.33 C ATOM 55 NZ LYS A 5 -3.229 7.076 -13.219 1.00 24.13 N ATOM 0 HA LYS A 5 -2.885 9.561 -7.255 1.00 4.45 H new ATOM 0 HB2 LYS A 5 -4.780 8.343 -8.724 1.00 20.52 H new ATOM 0 HB3 LYS A 5 -3.394 9.142 -9.440 1.00 20.52 H new ATOM 0 HG2 LYS A 5 -2.201 6.970 -9.571 1.00 14.25 H new ATOM 0 HG3 LYS A 5 -3.574 6.166 -8.835 1.00 14.25 H new ATOM 0 HD2 LYS A 5 -4.706 6.089 -10.791 1.00 44.21 H new ATOM 0 HD3 LYS A 5 -4.418 7.787 -11.116 1.00 44.21 H new ATOM 0 HE2 LYS A 5 -1.916 6.808 -11.578 1.00 14.33 H new ATOM 0 HE3 LYS A 5 -2.862 5.391 -11.989 1.00 14.33 H new ATOM 0 HZ1 LYS A 5 -2.507 6.796 -13.913 1.00 24.13 H new ATOM 0 HZ2 LYS A 5 -4.161 6.740 -13.534 1.00 24.13 H new ATOM 0 HZ3 LYS A 5 -3.245 8.113 -13.136 1.00 24.13 H new ATOM 69 N ILE A 6 -5.087 8.844 -6.085 1.00 44.13 N ATOM 70 CA ILE A 6 -6.097 8.508 -5.090 1.00 41.00 C ATOM 71 C ILE A 6 -7.442 9.136 -5.439 1.00 73.44 C ATOM 72 O ILE A 6 -7.504 10.171 -6.103 1.00 52.03 O ATOM 73 CB ILE A 6 -5.678 8.972 -3.684 1.00 4.23 C ATOM 74 CG1 ILE A 6 -5.442 10.484 -3.670 1.00 61.33 C ATOM 75 CG2 ILE A 6 -4.427 8.232 -3.233 1.00 52.10 C ATOM 76 CD1 ILE A 6 -5.703 11.124 -2.325 1.00 14.24 C ATOM 0 H ILE A 6 -5.234 9.740 -6.550 1.00 44.13 H new ATOM 0 HA ILE A 6 -6.193 7.422 -5.092 1.00 41.00 H new ATOM 0 HB ILE A 6 -6.484 8.743 -2.987 1.00 4.23 H new ATOM 0 HG12 ILE A 6 -4.412 10.686 -3.965 1.00 61.33 H new ATOM 0 HG13 ILE A 6 -6.085 10.951 -4.416 1.00 61.33 H new ATOM 0 HG21 ILE A 6 -4.143 8.571 -2.237 1.00 52.10 H new ATOM 0 HG22 ILE A 6 -4.627 7.161 -3.208 1.00 52.10 H new ATOM 0 HG23 ILE A 6 -3.614 8.433 -3.930 1.00 52.10 H new ATOM 0 HD11 ILE A 6 -5.516 12.196 -2.390 1.00 14.24 H new ATOM 0 HD12 ILE A 6 -6.740 10.954 -2.036 1.00 14.24 H new ATOM 0 HD13 ILE A 6 -5.042 10.684 -1.578 1.00 14.24 H new ATOM 88 N LYS A 7 -8.519 8.503 -4.987 1.00 35.34 N ATOM 89 CA LYS A 7 -9.865 8.999 -5.248 1.00 35.23 C ATOM 90 C LYS A 7 -10.160 10.238 -4.409 1.00 35.12 C ATOM 91 O LYS A 7 -9.708 10.350 -3.269 1.00 31.42 O ATOM 92 CB LYS A 7 -10.900 7.911 -4.951 1.00 22.13 C ATOM 93 CG LYS A 7 -11.774 7.560 -6.143 1.00 1.25 C ATOM 94 CD LYS A 7 -13.165 7.133 -5.706 1.00 54.53 C ATOM 95 CE LYS A 7 -14.208 8.180 -6.070 1.00 21.11 C ATOM 96 NZ LYS A 7 -15.594 7.688 -5.833 1.00 44.21 N ATOM 0 H LYS A 7 -8.486 7.644 -4.437 1.00 35.34 H new ATOM 0 HA LYS A 7 -9.926 9.271 -6.302 1.00 35.23 H new ATOM 0 HB2 LYS A 7 -10.383 7.013 -4.613 1.00 22.13 H new ATOM 0 HB3 LYS A 7 -11.536 8.241 -4.130 1.00 22.13 H new ATOM 0 HG2 LYS A 7 -11.848 8.421 -6.807 1.00 1.25 H new ATOM 0 HG3 LYS A 7 -11.308 6.757 -6.713 1.00 1.25 H new ATOM 0 HD2 LYS A 7 -13.420 6.184 -6.177 1.00 54.53 H new ATOM 0 HD3 LYS A 7 -13.175 6.967 -4.629 1.00 54.53 H new ATOM 0 HE2 LYS A 7 -14.037 9.082 -5.483 1.00 21.11 H new ATOM 0 HE3 LYS A 7 -14.095 8.456 -7.118 1.00 21.11 H new ATOM 0 HZ1 LYS A 7 -16.149 7.778 -6.708 1.00 44.21 H new ATOM 0 HZ2 LYS A 7 -15.563 6.690 -5.543 1.00 44.21 H new ATOM 0 HZ3 LYS A 7 -16.039 8.253 -5.082 1.00 44.21 H new ATOM 110 N CYS A 8 -10.923 11.165 -4.979 1.00 0.40 N ATOM 111 CA CYS A 8 -11.280 12.396 -4.282 1.00 2.14 C ATOM 112 C CYS A 8 -12.236 13.238 -5.120 1.00 72.31 C ATOM 113 O CYS A 8 -12.320 13.072 -6.337 1.00 41.34 O ATOM 114 CB CYS A 8 -10.022 13.204 -3.956 1.00 35.43 C ATOM 115 SG CYS A 8 -9.041 13.660 -5.403 1.00 73.13 S ATOM 0 H CYS A 8 -11.306 11.087 -5.921 1.00 0.40 H new ATOM 0 HA CYS A 8 -11.782 12.126 -3.353 1.00 2.14 H new ATOM 0 HB2 CYS A 8 -10.313 14.112 -3.427 1.00 35.43 H new ATOM 0 HB3 CYS A 8 -9.398 12.625 -3.275 1.00 35.43 H new ATOM 0 HG CYS A 8 -7.813 13.268 -5.236 1.00 73.13 H new ATOM 121 N SER A 9 -12.956 14.139 -4.461 1.00 53.31 N ATOM 122 CA SER A 9 -13.911 15.004 -5.144 1.00 61.32 C ATOM 123 C SER A 9 -13.524 16.471 -4.989 1.00 32.31 C ATOM 124 O SER A 9 -12.417 16.790 -4.554 1.00 53.24 O ATOM 125 CB SER A 9 -15.320 14.775 -4.595 1.00 55.12 C ATOM 126 OG SER A 9 -15.659 13.399 -4.613 1.00 60.21 O ATOM 0 H SER A 9 -12.896 14.290 -3.454 1.00 53.31 H new ATOM 0 HA SER A 9 -13.897 14.754 -6.205 1.00 61.32 H new ATOM 0 HB2 SER A 9 -15.382 15.154 -3.575 1.00 55.12 H new ATOM 0 HB3 SER A 9 -16.040 15.338 -5.189 1.00 55.12 H new ATOM 0 HG SER A 9 -15.476 13.005 -3.734 1.00 60.21 H new ATOM 132 N HIS A 10 -14.444 17.361 -5.349 1.00 20.33 N ATOM 133 CA HIS A 10 -14.201 18.795 -5.249 1.00 41.51 C ATOM 134 C HIS A 10 -15.476 19.584 -5.529 1.00 73.45 C ATOM 135 O HIS A 10 -16.291 19.187 -6.363 1.00 35.20 O ATOM 136 CB HIS A 10 -13.102 19.216 -6.227 1.00 15.40 C ATOM 137 CG HIS A 10 -13.441 18.949 -7.661 1.00 15.21 C ATOM 138 ND1 HIS A 10 -13.640 17.785 -8.322 1.00 32.22 N flip ATOM 139 CD2 HIS A 10 -13.613 19.951 -8.593 1.00 23.13 C flip ATOM 140 CE1 HIS A 10 -13.926 18.101 -9.627 1.00 43.24 C flip ATOM 141 NE2 HIS A 10 -13.904 19.414 -9.764 1.00 62.11 N flip ATOM 0 H HIS A 10 -15.364 17.114 -5.712 1.00 20.33 H new ATOM 0 HA HIS A 10 -13.876 19.013 -4.232 1.00 41.51 H new ATOM 0 HB2 HIS A 10 -12.904 20.280 -6.101 1.00 15.40 H new ATOM 0 HB3 HIS A 10 -12.182 18.688 -5.976 1.00 15.40 H new ATOM 0 HD1 HIS A 10 -13.587 16.847 -7.924 1.00 32.22 H new ATOM 0 HD2 HIS A 10 -13.524 21.009 -8.396 1.00 23.13 H new ATOM 0 HE1 HIS A 10 -14.135 17.391 -10.414 1.00 43.24 H new ATOM 149 N ILE A 11 -15.642 20.700 -4.828 1.00 53.24 N ATOM 150 CA ILE A 11 -16.818 21.543 -5.002 1.00 21.00 C ATOM 151 C ILE A 11 -16.464 23.019 -4.854 1.00 64.12 C ATOM 152 O ILE A 11 -15.944 23.443 -3.820 1.00 72.25 O ATOM 153 CB ILE A 11 -17.921 21.187 -3.988 1.00 24.34 C ATOM 154 CG1 ILE A 11 -18.462 19.782 -4.260 1.00 60.05 C ATOM 155 CG2 ILE A 11 -19.044 22.213 -4.043 1.00 63.05 C ATOM 156 CD1 ILE A 11 -19.398 19.275 -3.186 1.00 4.21 C ATOM 0 H ILE A 11 -14.977 21.042 -4.134 1.00 53.24 H new ATOM 0 HA ILE A 11 -17.190 21.361 -6.010 1.00 21.00 H new ATOM 0 HB ILE A 11 -17.490 21.202 -2.987 1.00 24.34 H new ATOM 0 HG12 ILE A 11 -18.986 19.782 -5.216 1.00 60.05 H new ATOM 0 HG13 ILE A 11 -17.624 19.091 -4.356 1.00 60.05 H new ATOM 0 HG21 ILE A 11 -19.816 21.947 -3.320 1.00 63.05 H new ATOM 0 HG22 ILE A 11 -18.647 23.200 -3.804 1.00 63.05 H new ATOM 0 HG23 ILE A 11 -19.474 22.228 -5.044 1.00 63.05 H new ATOM 0 HD11 ILE A 11 -19.742 18.274 -3.446 1.00 4.21 H new ATOM 0 HD12 ILE A 11 -18.873 19.242 -2.232 1.00 4.21 H new ATOM 0 HD13 ILE A 11 -20.255 19.943 -3.105 1.00 4.21 H new ATOM 168 N LEU A 12 -16.748 23.797 -5.892 1.00 11.13 N ATOM 169 CA LEU A 12 -16.461 25.227 -5.877 1.00 14.31 C ATOM 170 C LEU A 12 -17.722 26.032 -5.578 1.00 5.24 C ATOM 171 O LEU A 12 -18.802 25.725 -6.082 1.00 2.10 O ATOM 172 CB LEU A 12 -15.872 25.663 -7.220 1.00 24.44 C ATOM 173 CG LEU A 12 -14.347 25.632 -7.324 1.00 42.54 C ATOM 174 CD1 LEU A 12 -13.721 26.537 -6.273 1.00 51.12 C ATOM 175 CD2 LEU A 12 -13.830 24.208 -7.180 1.00 2.31 C ATOM 0 H LEU A 12 -17.177 23.462 -6.755 1.00 11.13 H new ATOM 0 HA LEU A 12 -15.733 25.418 -5.088 1.00 14.31 H new ATOM 0 HB2 LEU A 12 -16.283 25.022 -8.000 1.00 24.44 H new ATOM 0 HB3 LEU A 12 -16.210 26.678 -7.431 1.00 24.44 H new ATOM 0 HG LEU A 12 -14.063 26.002 -8.309 1.00 42.54 H new ATOM 0 HD11 LEU A 12 -12.635 26.502 -6.363 1.00 51.12 H new ATOM 0 HD12 LEU A 12 -14.065 27.561 -6.423 1.00 51.12 H new ATOM 0 HD13 LEU A 12 -14.014 26.198 -5.279 1.00 51.12 H new ATOM 0 HD21 LEU A 12 -12.743 24.206 -7.257 1.00 2.31 H new ATOM 0 HD22 LEU A 12 -14.126 23.810 -6.209 1.00 2.31 H new ATOM 0 HD23 LEU A 12 -14.251 23.587 -7.971 1.00 2.31 H new ATOM 187 N VAL A 13 -17.575 27.066 -4.755 1.00 33.03 N ATOM 188 CA VAL A 13 -18.701 27.918 -4.389 1.00 42.23 C ATOM 189 C VAL A 13 -18.286 29.384 -4.337 1.00 41.23 C ATOM 190 O VAL A 13 -17.165 29.736 -4.703 1.00 71.25 O ATOM 191 CB VAL A 13 -19.292 27.514 -3.026 1.00 33.20 C ATOM 192 CG1 VAL A 13 -19.699 26.049 -3.034 1.00 23.14 C ATOM 193 CG2 VAL A 13 -18.297 27.794 -1.910 1.00 45.52 C ATOM 0 H VAL A 13 -16.688 27.334 -4.329 1.00 33.03 H new ATOM 0 HA VAL A 13 -19.461 27.785 -5.159 1.00 42.23 H new ATOM 0 HB VAL A 13 -20.184 28.113 -2.844 1.00 33.20 H new ATOM 0 HG11 VAL A 13 -20.115 25.782 -2.062 1.00 23.14 H new ATOM 0 HG12 VAL A 13 -20.449 25.884 -3.807 1.00 23.14 H new ATOM 0 HG13 VAL A 13 -18.825 25.430 -3.238 1.00 23.14 H new ATOM 0 HG21 VAL A 13 -18.731 27.502 -0.954 1.00 45.52 H new ATOM 0 HG22 VAL A 13 -17.385 27.223 -2.084 1.00 45.52 H new ATOM 0 HG23 VAL A 13 -18.061 28.858 -1.892 1.00 45.52 H new ATOM 203 N SER A 14 -19.198 30.236 -3.878 1.00 73.24 N ATOM 204 CA SER A 14 -18.928 31.666 -3.781 1.00 31.32 C ATOM 205 C SER A 14 -19.234 32.181 -2.378 1.00 43.53 C ATOM 206 O SER A 14 -19.319 33.389 -2.153 1.00 31.03 O ATOM 207 CB SER A 14 -19.757 32.433 -4.811 1.00 52.53 C ATOM 208 OG SER A 14 -19.129 33.653 -5.165 1.00 42.15 O ATOM 0 H SER A 14 -20.130 29.961 -3.568 1.00 73.24 H new ATOM 0 HA SER A 14 -17.870 31.827 -3.986 1.00 31.32 H new ATOM 0 HB2 SER A 14 -19.895 31.819 -5.701 1.00 52.53 H new ATOM 0 HB3 SER A 14 -20.749 32.635 -4.407 1.00 52.53 H new ATOM 0 HG SER A 14 -18.894 34.148 -4.352 1.00 42.15 H new ATOM 214 N LYS A 15 -19.400 31.257 -1.437 1.00 64.24 N ATOM 215 CA LYS A 15 -19.695 31.616 -0.056 1.00 30.21 C ATOM 216 C LYS A 15 -19.266 30.506 0.898 1.00 70.23 C ATOM 217 O LYS A 15 -19.459 29.323 0.615 1.00 33.00 O ATOM 218 CB LYS A 15 -21.190 31.897 0.111 1.00 32.21 C ATOM 219 CG LYS A 15 -22.079 30.752 -0.346 1.00 13.31 C ATOM 220 CD LYS A 15 -23.482 31.234 -0.677 1.00 2.40 C ATOM 221 CE LYS A 15 -24.172 31.822 0.544 1.00 52.35 C ATOM 222 NZ LYS A 15 -25.613 32.094 0.288 1.00 34.32 N ATOM 0 H LYS A 15 -19.335 30.253 -1.607 1.00 64.24 H new ATOM 0 HA LYS A 15 -19.133 32.517 0.187 1.00 30.21 H new ATOM 0 HB2 LYS A 15 -21.396 32.110 1.160 1.00 32.21 H new ATOM 0 HB3 LYS A 15 -21.448 32.794 -0.453 1.00 32.21 H new ATOM 0 HG2 LYS A 15 -21.640 30.277 -1.223 1.00 13.31 H new ATOM 0 HG3 LYS A 15 -22.129 29.994 0.436 1.00 13.31 H new ATOM 0 HD2 LYS A 15 -23.433 31.985 -1.466 1.00 2.40 H new ATOM 0 HD3 LYS A 15 -24.071 30.403 -1.064 1.00 2.40 H new ATOM 0 HE2 LYS A 15 -24.076 31.133 1.383 1.00 52.35 H new ATOM 0 HE3 LYS A 15 -23.673 32.747 0.833 1.00 52.35 H new ATOM 0 HZ1 LYS A 15 -26.048 32.494 1.144 1.00 34.32 H new ATOM 0 HZ2 LYS A 15 -25.705 32.771 -0.496 1.00 34.32 H new ATOM 0 HZ3 LYS A 15 -26.094 31.207 0.037 1.00 34.32 H new ATOM 236 N GLN A 16 -18.685 30.894 2.028 1.00 61.21 N ATOM 237 CA GLN A 16 -18.230 29.930 3.023 1.00 10.10 C ATOM 238 C GLN A 16 -19.397 29.104 3.555 1.00 62.14 C ATOM 239 O GLN A 16 -19.223 27.955 3.960 1.00 30.11 O ATOM 240 CB GLN A 16 -17.531 30.649 4.179 1.00 44.43 C ATOM 241 CG GLN A 16 -16.055 30.911 3.929 1.00 70.21 C ATOM 242 CD GLN A 16 -15.225 30.826 5.194 1.00 41.22 C ATOM 243 OE1 GLN A 16 -15.587 31.392 6.226 1.00 32.03 O ATOM 244 NE2 GLN A 16 -14.104 30.119 5.122 1.00 63.23 N ATOM 0 H GLN A 16 -18.518 31.869 2.278 1.00 61.21 H new ATOM 0 HA GLN A 16 -17.521 29.256 2.541 1.00 10.10 H new ATOM 0 HB2 GLN A 16 -18.034 31.598 4.363 1.00 44.43 H new ATOM 0 HB3 GLN A 16 -17.637 30.052 5.085 1.00 44.43 H new ATOM 0 HG2 GLN A 16 -15.680 30.189 3.204 1.00 70.21 H new ATOM 0 HG3 GLN A 16 -15.935 31.900 3.486 1.00 70.21 H new ATOM 0 HE21 GLN A 16 -13.842 29.666 4.246 1.00 63.23 H new ATOM 0 HE22 GLN A 16 -13.505 30.028 5.942 1.00 63.23 H new ATOM 253 N SER A 17 -20.587 29.697 3.549 1.00 3.42 N ATOM 254 CA SER A 17 -21.782 29.018 4.035 1.00 23.33 C ATOM 255 C SER A 17 -22.074 27.773 3.204 1.00 31.40 C ATOM 256 O SER A 17 -22.819 26.891 3.629 1.00 75.22 O ATOM 257 CB SER A 17 -22.983 29.964 3.996 1.00 71.41 C ATOM 258 OG SER A 17 -22.620 31.267 4.417 1.00 1.50 O ATOM 0 H SER A 17 -20.749 30.646 3.213 1.00 3.42 H new ATOM 0 HA SER A 17 -21.603 28.712 5.066 1.00 23.33 H new ATOM 0 HB2 SER A 17 -23.385 30.004 2.984 1.00 71.41 H new ATOM 0 HB3 SER A 17 -23.775 29.578 4.638 1.00 71.41 H new ATOM 0 HG SER A 17 -23.405 31.853 4.381 1.00 1.50 H new ATOM 264 N GLU A 18 -21.479 27.708 2.016 1.00 30.22 N ATOM 265 CA GLU A 18 -21.677 26.572 1.124 1.00 22.33 C ATOM 266 C GLU A 18 -20.515 25.588 1.232 1.00 53.34 C ATOM 267 O GLU A 18 -20.715 24.399 1.480 1.00 52.12 O ATOM 268 CB GLU A 18 -21.822 27.049 -0.322 1.00 52.15 C ATOM 269 CG GLU A 18 -23.215 27.558 -0.657 1.00 43.45 C ATOM 270 CD GLU A 18 -23.425 27.743 -2.148 1.00 31.04 C ATOM 271 OE1 GLU A 18 -22.494 28.230 -2.823 1.00 32.21 O ATOM 272 OE2 GLU A 18 -24.522 27.400 -2.638 1.00 5.30 O ATOM 0 H GLU A 18 -20.857 28.428 1.650 1.00 30.22 H new ATOM 0 HA GLU A 18 -22.593 26.062 1.424 1.00 22.33 H new ATOM 0 HB2 GLU A 18 -21.099 27.843 -0.508 1.00 52.15 H new ATOM 0 HB3 GLU A 18 -21.573 26.228 -0.994 1.00 52.15 H new ATOM 0 HG2 GLU A 18 -23.956 26.857 -0.274 1.00 43.45 H new ATOM 0 HG3 GLU A 18 -23.383 28.508 -0.149 1.00 43.45 H new ATOM 279 N ALA A 19 -19.300 26.093 1.043 1.00 31.01 N ATOM 280 CA ALA A 19 -18.106 25.260 1.120 1.00 13.20 C ATOM 281 C ALA A 19 -17.959 24.639 2.505 1.00 42.35 C ATOM 282 O ALA A 19 -17.484 23.511 2.643 1.00 73.21 O ATOM 283 CB ALA A 19 -16.870 26.076 0.771 1.00 53.34 C ATOM 0 H ALA A 19 -19.117 27.075 0.836 1.00 31.01 H new ATOM 0 HA ALA A 19 -18.210 24.451 0.397 1.00 13.20 H new ATOM 0 HB1 ALA A 19 -15.986 25.442 0.833 1.00 53.34 H new ATOM 0 HB2 ALA A 19 -16.966 26.467 -0.242 1.00 53.34 H new ATOM 0 HB3 ALA A 19 -16.771 26.905 1.472 1.00 53.34 H new ATOM 289 N LEU A 20 -18.367 25.382 3.528 1.00 33.31 N ATOM 290 CA LEU A 20 -18.279 24.904 4.903 1.00 32.41 C ATOM 291 C LEU A 20 -19.585 24.244 5.335 1.00 2.40 C ATOM 292 O LEU A 20 -19.841 24.072 6.526 1.00 51.13 O ATOM 293 CB LEU A 20 -17.944 26.061 5.846 1.00 51.55 C ATOM 294 CG LEU A 20 -17.317 25.675 7.185 1.00 11.52 C ATOM 295 CD1 LEU A 20 -15.803 25.811 7.126 1.00 52.42 C ATOM 296 CD2 LEU A 20 -17.886 26.531 8.307 1.00 34.13 C ATOM 0 H LEU A 20 -18.762 26.317 3.431 1.00 33.31 H new ATOM 0 HA LEU A 20 -17.483 24.161 4.952 1.00 32.41 H new ATOM 0 HB2 LEU A 20 -17.263 26.738 5.330 1.00 51.55 H new ATOM 0 HB3 LEU A 20 -18.859 26.619 6.044 1.00 51.55 H new ATOM 0 HG LEU A 20 -17.560 24.632 7.390 1.00 11.52 H new ATOM 0 HD11 LEU A 20 -15.375 25.532 8.089 1.00 52.42 H new ATOM 0 HD12 LEU A 20 -15.409 25.155 6.350 1.00 52.42 H new ATOM 0 HD13 LEU A 20 -15.539 26.844 6.897 1.00 52.42 H new ATOM 0 HD21 LEU A 20 -17.428 26.242 9.253 1.00 34.13 H new ATOM 0 HD22 LEU A 20 -17.674 27.581 8.107 1.00 34.13 H new ATOM 0 HD23 LEU A 20 -18.964 26.384 8.366 1.00 34.13 H new ATOM 308 N ALA A 21 -20.406 23.874 4.357 1.00 55.43 N ATOM 309 CA ALA A 21 -21.683 23.230 4.636 1.00 60.21 C ATOM 310 C ALA A 21 -21.696 21.794 4.122 1.00 40.12 C ATOM 311 O ALA A 21 -22.505 20.975 4.561 1.00 60.02 O ATOM 312 CB ALA A 21 -22.822 24.024 4.015 1.00 55.51 C ATOM 0 H ALA A 21 -20.209 24.009 3.365 1.00 55.43 H new ATOM 0 HA ALA A 21 -21.820 23.204 5.717 1.00 60.21 H new ATOM 0 HB1 ALA A 21 -23.770 23.531 4.232 1.00 55.51 H new ATOM 0 HB2 ALA A 21 -22.833 25.031 4.432 1.00 55.51 H new ATOM 0 HB3 ALA A 21 -22.680 24.080 2.936 1.00 55.51 H new ATOM 318 N ILE A 22 -20.797 21.495 3.190 1.00 35.12 N ATOM 319 CA ILE A 22 -20.707 20.158 2.618 1.00 24.14 C ATOM 320 C ILE A 22 -20.188 19.155 3.643 1.00 2.14 C ATOM 321 O ILE A 22 -20.525 17.973 3.595 1.00 24.24 O ATOM 322 CB ILE A 22 -19.785 20.135 1.383 1.00 32.13 C ATOM 323 CG1 ILE A 22 -20.339 21.051 0.290 1.00 32.11 C ATOM 324 CG2 ILE A 22 -19.631 18.714 0.864 1.00 20.12 C ATOM 325 CD1 ILE A 22 -19.461 22.249 0.004 1.00 72.14 C ATOM 0 H ILE A 22 -20.121 22.161 2.815 1.00 35.12 H new ATOM 0 HA ILE A 22 -21.715 19.876 2.315 1.00 24.14 H new ATOM 0 HB ILE A 22 -18.801 20.502 1.675 1.00 32.13 H new ATOM 0 HG12 ILE A 22 -20.464 20.475 -0.627 1.00 32.11 H new ATOM 0 HG13 ILE A 22 -21.329 21.398 0.585 1.00 32.11 H new ATOM 0 HG21 ILE A 22 -18.977 18.714 -0.008 1.00 20.12 H new ATOM 0 HG22 ILE A 22 -19.197 18.087 1.643 1.00 20.12 H new ATOM 0 HG23 ILE A 22 -20.608 18.321 0.585 1.00 20.12 H new ATOM 0 HD11 ILE A 22 -19.915 22.854 -0.781 1.00 72.14 H new ATOM 0 HD12 ILE A 22 -19.356 22.848 0.909 1.00 72.14 H new ATOM 0 HD13 ILE A 22 -18.478 21.910 -0.322 1.00 72.14 H new ATOM 337 N MET A 23 -19.368 19.637 4.572 1.00 61.31 N ATOM 338 CA MET A 23 -18.805 18.783 5.612 1.00 75.24 C ATOM 339 C MET A 23 -19.744 18.695 6.811 1.00 51.42 C ATOM 340 O MET A 23 -19.427 18.056 7.813 1.00 51.34 O ATOM 341 CB MET A 23 -17.441 19.314 6.055 1.00 2.22 C ATOM 342 CG MET A 23 -17.467 20.773 6.484 1.00 64.24 C ATOM 343 SD MET A 23 -16.227 21.768 5.635 1.00 64.12 S ATOM 344 CE MET A 23 -15.443 22.589 7.022 1.00 72.04 C ATOM 0 H MET A 23 -19.079 20.614 4.626 1.00 61.31 H new ATOM 0 HA MET A 23 -18.680 17.783 5.197 1.00 75.24 H new ATOM 0 HB2 MET A 23 -17.075 18.707 6.883 1.00 2.22 H new ATOM 0 HB3 MET A 23 -16.731 19.197 5.236 1.00 2.22 H new ATOM 0 HG2 MET A 23 -18.456 21.188 6.289 1.00 64.24 H new ATOM 0 HG3 MET A 23 -17.302 20.834 7.560 1.00 64.24 H new ATOM 0 HE1 MET A 23 -14.675 23.269 6.655 1.00 72.04 H new ATOM 0 HE2 MET A 23 -16.190 23.153 7.581 1.00 72.04 H new ATOM 0 HE3 MET A 23 -14.987 21.845 7.675 1.00 72.04 H new ATOM 354 N GLU A 24 -20.900 19.344 6.700 1.00 63.42 N ATOM 355 CA GLU A 24 -21.883 19.339 7.777 1.00 71.23 C ATOM 356 C GLU A 24 -23.181 18.675 7.325 1.00 24.34 C ATOM 357 O GLU A 24 -23.791 17.907 8.070 1.00 14.34 O ATOM 358 CB GLU A 24 -22.165 20.768 8.246 1.00 35.10 C ATOM 359 CG GLU A 24 -20.959 21.686 8.159 1.00 63.24 C ATOM 360 CD GLU A 24 -20.908 22.692 9.292 1.00 4.12 C ATOM 361 OE1 GLU A 24 -21.949 23.321 9.574 1.00 14.14 O ATOM 362 OE2 GLU A 24 -19.827 22.850 9.898 1.00 52.32 O ATOM 0 H GLU A 24 -21.178 19.879 5.877 1.00 63.42 H new ATOM 0 HA GLU A 24 -21.472 18.766 8.608 1.00 71.23 H new ATOM 0 HB2 GLU A 24 -22.973 21.186 7.645 1.00 35.10 H new ATOM 0 HB3 GLU A 24 -22.516 20.740 9.278 1.00 35.10 H new ATOM 0 HG2 GLU A 24 -20.049 21.086 8.170 1.00 63.24 H new ATOM 0 HG3 GLU A 24 -20.979 22.217 7.207 1.00 63.24 H new ATOM 369 N LYS A 25 -23.598 18.975 6.100 1.00 4.31 N ATOM 370 CA LYS A 25 -24.822 18.408 5.547 1.00 53.14 C ATOM 371 C LYS A 25 -24.747 16.886 5.509 1.00 60.15 C ATOM 372 O LYS A 25 -25.646 16.198 5.995 1.00 75.34 O ATOM 373 CB LYS A 25 -25.070 18.953 4.138 1.00 60.11 C ATOM 374 CG LYS A 25 -25.683 20.342 4.123 1.00 74.24 C ATOM 375 CD LYS A 25 -27.201 20.280 4.090 1.00 14.21 C ATOM 376 CE LYS A 25 -27.818 21.666 4.213 1.00 22.04 C ATOM 377 NZ LYS A 25 -27.425 22.551 3.084 1.00 63.05 N ATOM 0 H LYS A 25 -23.106 19.609 5.470 1.00 4.31 H new ATOM 0 HA LYS A 25 -25.651 18.697 6.193 1.00 53.14 H new ATOM 0 HB2 LYS A 25 -24.125 18.976 3.595 1.00 60.11 H new ATOM 0 HB3 LYS A 25 -25.729 18.268 3.603 1.00 60.11 H new ATOM 0 HG2 LYS A 25 -25.359 20.893 5.006 1.00 74.24 H new ATOM 0 HG3 LYS A 25 -25.321 20.891 3.254 1.00 74.24 H new ATOM 0 HD2 LYS A 25 -27.527 19.817 3.159 1.00 14.21 H new ATOM 0 HD3 LYS A 25 -27.558 19.648 4.903 1.00 14.21 H new ATOM 0 HE2 LYS A 25 -28.904 21.578 4.244 1.00 22.04 H new ATOM 0 HE3 LYS A 25 -27.508 22.119 5.154 1.00 22.04 H new ATOM 0 HZ1 LYS A 25 -27.969 23.436 3.131 1.00 63.05 H new ATOM 0 HZ2 LYS A 25 -26.409 22.766 3.148 1.00 63.05 H new ATOM 0 HZ3 LYS A 25 -27.621 22.071 2.182 1.00 63.05 H new ATOM 465 N LYS A 31 -25.446 12.868 0.316 1.00 0.31 N ATOM 466 CA LYS A 31 -24.436 12.432 -0.640 1.00 62.34 C ATOM 467 C LYS A 31 -23.627 13.617 -1.157 1.00 11.53 C ATOM 468 O LYS A 31 -24.186 14.656 -1.508 1.00 40.55 O ATOM 469 CB LYS A 31 -25.096 11.701 -1.812 1.00 0.30 C ATOM 470 CG LYS A 31 -24.157 10.764 -2.551 1.00 44.34 C ATOM 471 CD LYS A 31 -23.847 9.524 -1.730 1.00 75.32 C ATOM 472 CE LYS A 31 -23.064 8.501 -2.539 1.00 23.04 C ATOM 473 NZ LYS A 31 -23.003 7.180 -1.854 1.00 13.42 N ATOM 0 HA LYS A 31 -23.758 11.749 -0.128 1.00 62.34 H new ATOM 0 HB2 LYS A 31 -25.947 11.130 -1.440 1.00 0.30 H new ATOM 0 HB3 LYS A 31 -25.488 12.437 -2.514 1.00 0.30 H new ATOM 0 HG2 LYS A 31 -24.607 10.470 -3.500 1.00 44.34 H new ATOM 0 HG3 LYS A 31 -23.230 11.287 -2.786 1.00 44.34 H new ATOM 0 HD2 LYS A 31 -23.275 9.805 -0.846 1.00 75.32 H new ATOM 0 HD3 LYS A 31 -24.777 9.077 -1.379 1.00 75.32 H new ATOM 0 HE2 LYS A 31 -23.527 8.381 -3.518 1.00 23.04 H new ATOM 0 HE3 LYS A 31 -22.052 8.869 -2.708 1.00 23.04 H new ATOM 0 HZ1 LYS A 31 -22.461 6.511 -2.437 1.00 13.42 H new ATOM 0 HZ2 LYS A 31 -22.538 7.289 -0.930 1.00 13.42 H new ATOM 0 HZ3 LYS A 31 -23.967 6.816 -1.715 1.00 13.42 H new ATOM 487 N PHE A 32 -22.309 13.454 -1.202 1.00 20.34 N ATOM 488 CA PHE A 32 -21.424 14.511 -1.675 1.00 60.25 C ATOM 489 C PHE A 32 -21.871 15.024 -3.042 1.00 35.31 C ATOM 490 O PHE A 32 -22.025 16.227 -3.245 1.00 13.42 O ATOM 491 CB PHE A 32 -19.983 14.000 -1.757 1.00 53.52 C ATOM 492 CG PHE A 32 -18.992 15.061 -2.142 1.00 52.22 C ATOM 493 CD1 PHE A 32 -18.848 15.445 -3.466 1.00 2.21 C ATOM 494 CD2 PHE A 32 -18.204 15.674 -1.181 1.00 75.02 C ATOM 495 CE1 PHE A 32 -17.937 16.421 -3.823 1.00 51.45 C ATOM 496 CE2 PHE A 32 -17.293 16.651 -1.533 1.00 3.13 C ATOM 497 CZ PHE A 32 -17.158 17.024 -2.856 1.00 2.40 C ATOM 0 H PHE A 32 -21.830 12.600 -0.916 1.00 20.34 H new ATOM 0 HA PHE A 32 -21.471 15.335 -0.963 1.00 60.25 H new ATOM 0 HB2 PHE A 32 -19.699 13.582 -0.791 1.00 53.52 H new ATOM 0 HB3 PHE A 32 -19.935 13.188 -2.483 1.00 53.52 H new ATOM 0 HD1 PHE A 32 -19.454 14.976 -4.227 1.00 2.21 H new ATOM 0 HD2 PHE A 32 -18.303 15.385 -0.145 1.00 75.02 H new ATOM 0 HE1 PHE A 32 -17.835 16.712 -4.858 1.00 51.45 H new ATOM 0 HE2 PHE A 32 -16.687 17.123 -0.774 1.00 3.13 H new ATOM 0 HZ PHE A 32 -16.444 17.786 -3.133 1.00 2.40 H new ATOM 507 N GLY A 33 -22.078 14.100 -3.975 1.00 75.21 N ATOM 508 CA GLY A 33 -22.507 14.477 -5.310 1.00 64.41 C ATOM 509 C GLY A 33 -23.758 15.332 -5.297 1.00 63.35 C ATOM 510 O GLY A 33 -23.903 16.246 -6.110 1.00 20.32 O ATOM 0 H GLY A 33 -21.957 13.098 -3.831 1.00 75.21 H new ATOM 0 HA2 GLY A 33 -21.704 15.022 -5.806 1.00 64.41 H new ATOM 0 HA3 GLY A 33 -22.692 13.577 -5.897 1.00 64.41 H new ATOM 514 N LYS A 34 -24.667 15.034 -4.375 1.00 64.44 N ATOM 515 CA LYS A 34 -25.914 15.781 -4.261 1.00 32.41 C ATOM 516 C LYS A 34 -25.641 17.261 -4.013 1.00 0.13 C ATOM 517 O LYS A 34 -26.488 18.113 -4.284 1.00 44.54 O ATOM 518 CB LYS A 34 -26.770 15.212 -3.127 1.00 1.30 C ATOM 519 CG LYS A 34 -28.259 15.446 -3.313 1.00 54.53 C ATOM 520 CD LYS A 34 -28.804 14.662 -4.495 1.00 51.54 C ATOM 521 CE LYS A 34 -30.325 14.636 -4.493 1.00 24.43 C ATOM 522 NZ LYS A 34 -30.866 13.974 -3.274 1.00 0.32 N ATOM 0 H LYS A 34 -24.563 14.280 -3.696 1.00 64.44 H new ATOM 0 HA LYS A 34 -26.455 15.683 -5.202 1.00 32.41 H new ATOM 0 HB2 LYS A 34 -26.586 14.141 -3.047 1.00 1.30 H new ATOM 0 HB3 LYS A 34 -26.455 15.661 -2.185 1.00 1.30 H new ATOM 0 HG2 LYS A 34 -28.790 15.155 -2.407 1.00 54.53 H new ATOM 0 HG3 LYS A 34 -28.445 16.509 -3.464 1.00 54.53 H new ATOM 0 HD2 LYS A 34 -28.448 15.108 -5.424 1.00 51.54 H new ATOM 0 HD3 LYS A 34 -28.422 13.642 -4.464 1.00 51.54 H new ATOM 0 HE2 LYS A 34 -30.706 15.656 -4.552 1.00 24.43 H new ATOM 0 HE3 LYS A 34 -30.681 14.111 -5.380 1.00 24.43 H new ATOM 0 HZ1 LYS A 34 -31.827 13.626 -3.465 1.00 0.32 H new ATOM 0 HZ2 LYS A 34 -30.254 13.175 -3.013 1.00 0.32 H new ATOM 0 HZ3 LYS A 34 -30.895 14.658 -2.491 1.00 0.32 H new ATOM 536 N LEU A 35 -24.453 17.560 -3.496 1.00 73.14 N ATOM 537 CA LEU A 35 -24.068 18.938 -3.214 1.00 0.43 C ATOM 538 C LEU A 35 -23.145 19.480 -4.300 1.00 74.32 C ATOM 539 O LEU A 35 -23.089 20.686 -4.536 1.00 51.54 O ATOM 540 CB LEU A 35 -23.377 19.025 -1.851 1.00 41.15 C ATOM 541 CG LEU A 35 -23.938 18.120 -0.755 1.00 12.13 C ATOM 542 CD1 LEU A 35 -23.235 18.383 0.567 1.00 63.11 C ATOM 543 CD2 LEU A 35 -25.440 18.324 -0.611 1.00 60.32 C ATOM 0 H LEU A 35 -23.741 16.867 -3.264 1.00 73.14 H new ATOM 0 HA LEU A 35 -24.973 19.546 -3.197 1.00 0.43 H new ATOM 0 HB2 LEU A 35 -22.322 18.788 -1.985 1.00 41.15 H new ATOM 0 HB3 LEU A 35 -23.430 20.057 -1.505 1.00 41.15 H new ATOM 0 HG LEU A 35 -23.757 17.083 -1.040 1.00 12.13 H new ATOM 0 HD11 LEU A 35 -23.648 17.729 1.335 1.00 63.11 H new ATOM 0 HD12 LEU A 35 -22.169 18.186 0.458 1.00 63.11 H new ATOM 0 HD13 LEU A 35 -23.384 19.423 0.857 1.00 63.11 H new ATOM 0 HD21 LEU A 35 -25.822 17.671 0.174 1.00 60.32 H new ATOM 0 HD22 LEU A 35 -25.643 19.363 -0.350 1.00 60.32 H new ATOM 0 HD23 LEU A 35 -25.932 18.084 -1.554 1.00 60.32 H new ATOM 555 N ALA A 36 -22.425 18.579 -4.960 1.00 63.04 N ATOM 556 CA ALA A 36 -21.507 18.966 -6.024 1.00 61.05 C ATOM 557 C ALA A 36 -22.258 19.241 -7.324 1.00 20.43 C ATOM 558 O ALA A 36 -21.750 19.922 -8.214 1.00 64.44 O ATOM 559 CB ALA A 36 -20.460 17.883 -6.238 1.00 41.53 C ATOM 0 H ALA A 36 -22.460 17.576 -4.777 1.00 63.04 H new ATOM 0 HA ALA A 36 -21.007 19.886 -5.721 1.00 61.05 H new ATOM 0 HB1 ALA A 36 -19.781 18.186 -7.035 1.00 41.53 H new ATOM 0 HB2 ALA A 36 -19.895 17.736 -5.317 1.00 41.53 H new ATOM 0 HB3 ALA A 36 -20.952 16.951 -6.515 1.00 41.53 H new ATOM 565 N LYS A 37 -23.470 18.707 -7.424 1.00 74.25 N ATOM 566 CA LYS A 37 -24.293 18.896 -8.613 1.00 75.23 C ATOM 567 C LYS A 37 -25.019 20.236 -8.567 1.00 54.11 C ATOM 568 O LYS A 37 -25.761 20.582 -9.485 1.00 15.10 O ATOM 569 CB LYS A 37 -25.309 17.757 -8.741 1.00 40.52 C ATOM 570 CG LYS A 37 -26.464 17.860 -7.759 1.00 3.40 C ATOM 571 CD LYS A 37 -27.411 16.679 -7.887 1.00 22.34 C ATOM 572 CE LYS A 37 -28.465 16.924 -8.955 1.00 60.21 C ATOM 573 NZ LYS A 37 -27.944 16.649 -10.323 1.00 11.52 N ATOM 0 H LYS A 37 -23.905 18.140 -6.696 1.00 74.25 H new ATOM 0 HA LYS A 37 -23.636 18.890 -9.483 1.00 75.23 H new ATOM 0 HB2 LYS A 37 -25.706 17.747 -9.756 1.00 40.52 H new ATOM 0 HB3 LYS A 37 -24.798 16.806 -8.590 1.00 40.52 H new ATOM 0 HG2 LYS A 37 -26.075 17.907 -6.742 1.00 3.40 H new ATOM 0 HG3 LYS A 37 -27.011 18.787 -7.934 1.00 3.40 H new ATOM 0 HD2 LYS A 37 -26.844 15.781 -8.133 1.00 22.34 H new ATOM 0 HD3 LYS A 37 -27.898 16.496 -6.929 1.00 22.34 H new ATOM 0 HE2 LYS A 37 -29.331 16.291 -8.762 1.00 60.21 H new ATOM 0 HE3 LYS A 37 -28.807 17.957 -8.898 1.00 60.21 H new ATOM 0 HZ1 LYS A 37 -28.704 16.249 -10.910 1.00 11.52 H new ATOM 0 HZ2 LYS A 37 -27.606 17.535 -10.750 1.00 11.52 H new ATOM 0 HZ3 LYS A 37 -27.158 15.971 -10.265 1.00 11.52 H new ATOM 587 N GLU A 38 -24.796 20.987 -7.492 1.00 55.32 N ATOM 588 CA GLU A 38 -25.430 22.290 -7.328 1.00 63.03 C ATOM 589 C GLU A 38 -24.423 23.326 -6.834 1.00 31.12 C ATOM 590 O GLU A 38 -24.193 24.344 -7.486 1.00 50.34 O ATOM 591 CB GLU A 38 -26.601 22.194 -6.347 1.00 61.25 C ATOM 592 CG GLU A 38 -27.507 20.999 -6.598 1.00 54.44 C ATOM 593 CD GLU A 38 -28.953 21.279 -6.237 1.00 62.22 C ATOM 594 OE1 GLU A 38 -29.204 21.744 -5.107 1.00 1.52 O ATOM 595 OE2 GLU A 38 -29.835 21.031 -7.088 1.00 44.51 O ATOM 0 H GLU A 38 -24.182 20.716 -6.724 1.00 55.32 H new ATOM 0 HA GLU A 38 -25.806 22.607 -8.301 1.00 63.03 H new ATOM 0 HB2 GLU A 38 -26.210 22.136 -5.331 1.00 61.25 H new ATOM 0 HB3 GLU A 38 -27.192 23.108 -6.409 1.00 61.25 H new ATOM 0 HG2 GLU A 38 -27.447 20.716 -7.649 1.00 54.44 H new ATOM 0 HG3 GLU A 38 -27.150 20.148 -6.018 1.00 54.44 H new ATOM 602 N LEU A 39 -23.828 23.058 -5.678 1.00 21.21 N ATOM 603 CA LEU A 39 -22.846 23.965 -5.094 1.00 50.54 C ATOM 604 C LEU A 39 -21.700 24.227 -6.067 1.00 22.31 C ATOM 605 O LEU A 39 -21.352 25.376 -6.338 1.00 71.35 O ATOM 606 CB LEU A 39 -22.299 23.386 -3.788 1.00 55.41 C ATOM 607 CG LEU A 39 -23.338 23.040 -2.721 1.00 20.40 C ATOM 608 CD1 LEU A 39 -22.657 22.549 -1.453 1.00 21.04 C ATOM 609 CD2 LEU A 39 -24.219 24.245 -2.424 1.00 31.04 C ATOM 0 H LEU A 39 -24.008 22.220 -5.126 1.00 21.21 H new ATOM 0 HA LEU A 39 -23.343 24.912 -4.884 1.00 50.54 H new ATOM 0 HB2 LEU A 39 -21.734 22.484 -4.022 1.00 55.41 H new ATOM 0 HB3 LEU A 39 -21.595 24.102 -3.363 1.00 55.41 H new ATOM 0 HG LEU A 39 -23.970 22.238 -3.103 1.00 20.40 H new ATOM 0 HD11 LEU A 39 -23.412 22.307 -0.705 1.00 21.04 H new ATOM 0 HD12 LEU A 39 -22.070 21.658 -1.677 1.00 21.04 H new ATOM 0 HD13 LEU A 39 -22.000 23.329 -1.067 1.00 21.04 H new ATOM 0 HD21 LEU A 39 -24.953 23.980 -1.662 1.00 31.04 H new ATOM 0 HD22 LEU A 39 -23.601 25.067 -2.063 1.00 31.04 H new ATOM 0 HD23 LEU A 39 -24.735 24.552 -3.334 1.00 31.04 H new ATOM 621 N SER A 40 -21.119 23.152 -6.590 1.00 71.12 N ATOM 622 CA SER A 40 -20.011 23.264 -7.532 1.00 11.10 C ATOM 623 C SER A 40 -20.363 24.215 -8.672 1.00 44.14 C ATOM 624 O SER A 40 -21.110 23.860 -9.583 1.00 72.05 O ATOM 625 CB SER A 40 -19.650 21.888 -8.094 1.00 41.32 C ATOM 626 OG SER A 40 -18.269 21.810 -8.405 1.00 34.04 O ATOM 0 H SER A 40 -21.397 22.194 -6.378 1.00 71.12 H new ATOM 0 HA SER A 40 -19.151 23.667 -6.997 1.00 11.10 H new ATOM 0 HB2 SER A 40 -19.907 21.117 -7.368 1.00 41.32 H new ATOM 0 HB3 SER A 40 -20.239 21.692 -8.990 1.00 41.32 H new ATOM 0 HG SER A 40 -18.091 20.982 -8.899 1.00 34.04 H new ATOM 632 N ILE A 41 -19.816 25.426 -8.614 1.00 74.45 N ATOM 633 CA ILE A 41 -20.071 26.428 -9.641 1.00 61.15 C ATOM 634 C ILE A 41 -19.284 26.124 -10.912 1.00 41.13 C ATOM 635 O ILE A 41 -19.636 26.586 -11.997 1.00 45.15 O ATOM 636 CB ILE A 41 -19.707 27.841 -9.151 1.00 50.35 C ATOM 637 CG1 ILE A 41 -18.264 27.874 -8.644 1.00 32.42 C ATOM 638 CG2 ILE A 41 -20.669 28.287 -8.059 1.00 24.20 C ATOM 639 CD1 ILE A 41 -17.526 29.144 -9.002 1.00 21.13 C ATOM 0 H ILE A 41 -19.194 25.736 -7.867 1.00 74.45 H new ATOM 0 HA ILE A 41 -21.138 26.392 -9.860 1.00 61.15 H new ATOM 0 HB ILE A 41 -19.793 28.533 -9.989 1.00 50.35 H new ATOM 0 HG12 ILE A 41 -18.266 27.758 -7.560 1.00 32.42 H new ATOM 0 HG13 ILE A 41 -17.724 27.021 -9.055 1.00 32.42 H new ATOM 0 HG21 ILE A 41 -20.399 29.288 -7.723 1.00 24.20 H new ATOM 0 HG22 ILE A 41 -21.686 28.298 -8.452 1.00 24.20 H new ATOM 0 HG23 ILE A 41 -20.612 27.594 -7.219 1.00 24.20 H new ATOM 0 HD11 ILE A 41 -16.510 29.097 -8.610 1.00 21.13 H new ATOM 0 HD12 ILE A 41 -17.492 29.252 -10.086 1.00 21.13 H new ATOM 0 HD13 ILE A 41 -18.043 30.000 -8.568 1.00 21.13 H new ATOM 651 N ASP A 42 -18.218 25.344 -10.769 1.00 61.02 N ATOM 652 CA ASP A 42 -17.382 24.975 -11.905 1.00 43.55 C ATOM 653 C ASP A 42 -18.177 24.167 -12.925 1.00 74.34 C ATOM 654 O ASP A 42 -18.603 23.046 -12.648 1.00 73.32 O ATOM 655 CB ASP A 42 -16.169 24.173 -11.434 1.00 64.15 C ATOM 656 CG ASP A 42 -15.369 23.602 -12.589 1.00 25.52 C ATOM 657 OD1 ASP A 42 -15.461 24.154 -13.705 1.00 33.42 O ATOM 658 OD2 ASP A 42 -14.650 22.603 -12.376 1.00 45.01 O ATOM 0 H ASP A 42 -17.913 24.955 -9.877 1.00 61.02 H new ATOM 0 HA ASP A 42 -17.037 25.892 -12.384 1.00 43.55 H new ATOM 0 HB2 ASP A 42 -15.525 24.814 -10.831 1.00 64.15 H new ATOM 0 HB3 ASP A 42 -16.503 23.360 -10.790 1.00 64.15 H new ATOM 663 N SER A 43 -18.375 24.744 -14.107 1.00 62.12 N ATOM 664 CA SER A 43 -19.124 24.079 -15.167 1.00 5.34 C ATOM 665 C SER A 43 -18.587 22.672 -15.410 1.00 74.13 C ATOM 666 O SER A 43 -19.349 21.740 -15.665 1.00 43.24 O ATOM 667 CB SER A 43 -19.052 24.895 -16.459 1.00 61.12 C ATOM 668 OG SER A 43 -19.566 26.201 -16.267 1.00 73.22 O ATOM 0 H SER A 43 -18.027 25.670 -14.354 1.00 62.12 H new ATOM 0 HA SER A 43 -20.164 24.003 -14.851 1.00 5.34 H new ATOM 0 HB2 SER A 43 -18.018 24.954 -16.798 1.00 61.12 H new ATOM 0 HB3 SER A 43 -19.616 24.390 -17.243 1.00 61.12 H new ATOM 0 HG SER A 43 -19.507 26.702 -17.107 1.00 73.22 H new ATOM 674 N GLY A 44 -17.268 22.525 -15.330 1.00 12.24 N ATOM 675 CA GLY A 44 -16.650 21.230 -15.543 1.00 41.04 C ATOM 676 C GLY A 44 -16.484 20.447 -14.256 1.00 51.04 C ATOM 677 O GLY A 44 -15.419 19.888 -13.995 1.00 20.42 O ATOM 0 H GLY A 44 -16.616 23.281 -15.121 1.00 12.24 H new ATOM 0 HA2 GLY A 44 -17.256 20.652 -16.240 1.00 41.04 H new ATOM 0 HA3 GLY A 44 -15.674 21.369 -16.008 1.00 41.04 H new ATOM 681 N SER A 45 -17.539 20.409 -13.448 1.00 14.32 N ATOM 682 CA SER A 45 -17.503 19.694 -12.178 1.00 51.11 C ATOM 683 C SER A 45 -18.913 19.346 -11.711 1.00 14.31 C ATOM 684 O SER A 45 -19.160 18.250 -11.207 1.00 64.03 O ATOM 685 CB SER A 45 -16.794 20.535 -11.115 1.00 35.30 C ATOM 686 OG SER A 45 -16.771 19.864 -9.866 1.00 61.12 O ATOM 0 H SER A 45 -18.429 20.865 -13.650 1.00 14.32 H new ATOM 0 HA SER A 45 -16.949 18.767 -12.326 1.00 51.11 H new ATOM 0 HB2 SER A 45 -15.774 20.748 -11.436 1.00 35.30 H new ATOM 0 HB3 SER A 45 -17.301 21.494 -11.007 1.00 35.30 H new ATOM 0 HG SER A 45 -15.843 19.673 -9.614 1.00 61.12 H new ATOM 692 N ALA A 46 -19.835 20.287 -11.882 1.00 55.21 N ATOM 693 CA ALA A 46 -21.222 20.081 -11.480 1.00 60.02 C ATOM 694 C ALA A 46 -21.887 19.008 -12.335 1.00 22.33 C ATOM 695 O ALA A 46 -22.972 18.524 -12.011 1.00 13.24 O ATOM 696 CB ALA A 46 -21.998 21.387 -11.570 1.00 62.13 C ATOM 0 H ALA A 46 -19.647 21.200 -12.296 1.00 55.21 H new ATOM 0 HA ALA A 46 -21.228 19.739 -10.445 1.00 60.02 H new ATOM 0 HB1 ALA A 46 -23.031 21.218 -11.267 1.00 62.13 H new ATOM 0 HB2 ALA A 46 -21.543 22.127 -10.911 1.00 62.13 H new ATOM 0 HB3 ALA A 46 -21.976 21.753 -12.596 1.00 62.13 H new ATOM 702 N LYS A 47 -21.231 18.639 -13.430 1.00 53.13 N ATOM 703 CA LYS A 47 -21.758 17.623 -14.332 1.00 71.11 C ATOM 704 C LYS A 47 -21.283 16.232 -13.923 1.00 42.52 C ATOM 705 O LYS A 47 -21.869 15.224 -14.316 1.00 22.00 O ATOM 706 CB LYS A 47 -21.328 17.917 -15.772 1.00 32.44 C ATOM 707 CG LYS A 47 -22.027 19.119 -16.381 1.00 42.54 C ATOM 708 CD LYS A 47 -23.319 18.720 -17.075 1.00 14.40 C ATOM 709 CE LYS A 47 -23.054 18.131 -18.452 1.00 4.30 C ATOM 710 NZ LYS A 47 -22.449 19.131 -19.376 1.00 25.54 N ATOM 0 H LYS A 47 -20.332 19.029 -13.714 1.00 53.13 H new ATOM 0 HA LYS A 47 -22.846 17.649 -14.271 1.00 71.11 H new ATOM 0 HB2 LYS A 47 -20.251 18.084 -15.794 1.00 32.44 H new ATOM 0 HB3 LYS A 47 -21.528 17.040 -16.388 1.00 32.44 H new ATOM 0 HG2 LYS A 47 -22.242 19.850 -15.601 1.00 42.54 H new ATOM 0 HG3 LYS A 47 -21.363 19.603 -17.097 1.00 42.54 H new ATOM 0 HD2 LYS A 47 -23.852 17.992 -16.463 1.00 14.40 H new ATOM 0 HD3 LYS A 47 -23.967 19.592 -17.170 1.00 14.40 H new ATOM 0 HE2 LYS A 47 -22.388 17.273 -18.358 1.00 4.30 H new ATOM 0 HE3 LYS A 47 -23.989 17.764 -18.876 1.00 4.30 H new ATOM 0 HZ1 LYS A 47 -22.636 18.852 -20.360 1.00 25.54 H new ATOM 0 HZ2 LYS A 47 -22.866 20.067 -19.197 1.00 25.54 H new ATOM 0 HZ3 LYS A 47 -21.422 19.174 -19.217 1.00 25.54 H new ATOM 724 N LYS A 48 -20.219 16.186 -13.129 1.00 61.31 N ATOM 725 CA LYS A 48 -19.666 14.920 -12.663 1.00 31.44 C ATOM 726 C LYS A 48 -19.746 14.818 -11.143 1.00 1.12 C ATOM 727 O LYS A 48 -18.946 14.125 -10.516 1.00 2.53 O ATOM 728 CB LYS A 48 -18.212 14.776 -13.119 1.00 22.02 C ATOM 729 CG LYS A 48 -17.405 16.057 -12.992 1.00 22.04 C ATOM 730 CD LYS A 48 -17.386 16.835 -14.297 1.00 64.52 C ATOM 731 CE LYS A 48 -16.145 16.517 -15.117 1.00 62.52 C ATOM 732 NZ LYS A 48 -16.328 15.297 -15.951 1.00 60.52 N ATOM 0 H LYS A 48 -19.722 17.012 -12.794 1.00 61.31 H new ATOM 0 HA LYS A 48 -20.257 14.113 -13.095 1.00 31.44 H new ATOM 0 HB2 LYS A 48 -17.731 13.994 -12.531 1.00 22.02 H new ATOM 0 HB3 LYS A 48 -18.197 14.448 -14.158 1.00 22.02 H new ATOM 0 HG2 LYS A 48 -17.829 16.678 -12.203 1.00 22.04 H new ATOM 0 HG3 LYS A 48 -16.384 15.817 -12.695 1.00 22.04 H new ATOM 0 HD2 LYS A 48 -18.278 16.597 -14.877 1.00 64.52 H new ATOM 0 HD3 LYS A 48 -17.420 17.904 -14.085 1.00 64.52 H new ATOM 0 HE2 LYS A 48 -15.908 17.364 -15.760 1.00 62.52 H new ATOM 0 HE3 LYS A 48 -15.295 16.376 -14.449 1.00 62.52 H new ATOM 0 HZ1 LYS A 48 -15.525 15.200 -16.605 1.00 60.52 H new ATOM 0 HZ2 LYS A 48 -16.377 14.460 -15.336 1.00 60.52 H new ATOM 0 HZ3 LYS A 48 -17.210 15.378 -16.496 1.00 60.52 H new ATOM 746 N ASN A 49 -20.718 15.511 -10.558 1.00 42.14 N ATOM 747 CA ASN A 49 -20.902 15.497 -9.112 1.00 14.31 C ATOM 748 C ASN A 49 -19.601 15.845 -8.394 1.00 74.01 C ATOM 749 O ASN A 49 -19.363 15.401 -7.271 1.00 44.22 O ATOM 750 CB ASN A 49 -21.399 14.125 -8.653 1.00 34.20 C ATOM 751 CG ASN A 49 -22.851 13.884 -9.020 1.00 73.21 C ATOM 752 OD1 ASN A 49 -23.159 13.040 -9.863 1.00 4.12 O ATOM 753 ND2 ASN A 49 -23.752 14.627 -8.388 1.00 34.42 N ATOM 0 H ASN A 49 -21.390 16.089 -11.063 1.00 42.14 H new ATOM 0 HA ASN A 49 -21.649 16.250 -8.859 1.00 14.31 H new ATOM 0 HB2 ASN A 49 -20.780 13.348 -9.102 1.00 34.20 H new ATOM 0 HB3 ASN A 49 -21.281 14.042 -7.573 1.00 34.20 H new ATOM 0 HD21 ASN A 49 -24.744 14.510 -8.594 1.00 34.42 H new ATOM 0 HD22 ASN A 49 -23.452 15.314 -7.697 1.00 34.42 H new ATOM 760 N GLY A 50 -18.764 16.641 -9.051 1.00 1.52 N ATOM 761 CA GLY A 50 -17.499 17.036 -8.460 1.00 61.25 C ATOM 762 C GLY A 50 -16.611 15.849 -8.146 1.00 24.02 C ATOM 763 O GLY A 50 -15.669 15.960 -7.362 1.00 20.01 O ATOM 0 H GLY A 50 -18.939 17.019 -9.982 1.00 1.52 H new ATOM 0 HA2 GLY A 50 -16.976 17.707 -9.142 1.00 61.25 H new ATOM 0 HA3 GLY A 50 -17.688 17.597 -7.545 1.00 61.25 H new ATOM 767 N ASN A 51 -16.912 14.708 -8.758 1.00 2.11 N ATOM 768 CA ASN A 51 -16.135 13.494 -8.538 1.00 21.20 C ATOM 769 C ASN A 51 -15.090 13.310 -9.634 1.00 62.42 C ATOM 770 O ASN A 51 -15.314 12.584 -10.604 1.00 1.20 O ATOM 771 CB ASN A 51 -17.057 12.275 -8.487 1.00 34.11 C ATOM 772 CG ASN A 51 -16.289 10.967 -8.489 1.00 75.24 C ATOM 773 OD1 ASN A 51 -15.452 10.725 -7.619 1.00 72.25 O ATOM 774 ND2 ASN A 51 -16.572 10.116 -9.469 1.00 40.45 N ATOM 0 H ASN A 51 -17.689 14.599 -9.410 1.00 2.11 H new ATOM 0 HA ASN A 51 -15.620 13.591 -7.582 1.00 21.20 H new ATOM 0 HB2 ASN A 51 -17.676 12.328 -7.591 1.00 34.11 H new ATOM 0 HB3 ASN A 51 -17.732 12.298 -9.342 1.00 34.11 H new ATOM 0 HD21 ASN A 51 -16.088 9.220 -9.522 1.00 40.45 H new ATOM 0 HD22 ASN A 51 -17.273 10.359 -10.169 1.00 40.45 H new ATOM 781 N LEU A 52 -13.949 13.970 -9.474 1.00 52.52 N ATOM 782 CA LEU A 52 -12.869 13.880 -10.450 1.00 72.35 C ATOM 783 C LEU A 52 -12.254 12.484 -10.454 1.00 20.52 C ATOM 784 O LEU A 52 -11.493 12.132 -11.354 1.00 11.22 O ATOM 785 CB LEU A 52 -11.792 14.922 -10.146 1.00 1.30 C ATOM 786 CG LEU A 52 -11.220 14.904 -8.728 1.00 35.23 C ATOM 787 CD1 LEU A 52 -10.063 13.922 -8.631 1.00 13.00 C ATOM 788 CD2 LEU A 52 -10.775 16.299 -8.314 1.00 12.40 C ATOM 0 H LEU A 52 -13.747 14.574 -8.677 1.00 52.52 H new ATOM 0 HA LEU A 52 -13.288 14.076 -11.437 1.00 72.35 H new ATOM 0 HB2 LEU A 52 -10.971 14.782 -10.849 1.00 1.30 H new ATOM 0 HB3 LEU A 52 -12.209 15.911 -10.335 1.00 1.30 H new ATOM 0 HG LEU A 52 -12.004 14.578 -8.045 1.00 35.23 H new ATOM 0 HD11 LEU A 52 -9.669 13.923 -7.615 1.00 13.00 H new ATOM 0 HD12 LEU A 52 -10.413 12.921 -8.883 1.00 13.00 H new ATOM 0 HD13 LEU A 52 -9.276 14.217 -9.325 1.00 13.00 H new ATOM 0 HD21 LEU A 52 -10.371 16.267 -7.302 1.00 12.40 H new ATOM 0 HD22 LEU A 52 -10.007 16.655 -9.001 1.00 12.40 H new ATOM 0 HD23 LEU A 52 -11.628 16.976 -8.342 1.00 12.40 H new ATOM 800 N GLY A 53 -12.594 11.690 -9.442 1.00 4.31 N ATOM 801 CA GLY A 53 -12.068 10.341 -9.348 1.00 42.05 C ATOM 802 C GLY A 53 -10.630 10.310 -8.869 1.00 51.23 C ATOM 803 O GLY A 53 -10.297 10.910 -7.846 1.00 63.14 O ATOM 0 H GLY A 53 -13.224 11.958 -8.686 1.00 4.31 H new ATOM 0 HA2 GLY A 53 -12.688 9.760 -8.665 1.00 42.05 H new ATOM 0 HA3 GLY A 53 -12.133 9.861 -10.324 1.00 42.05 H new ATOM 807 N TYR A 54 -9.777 9.609 -9.606 1.00 52.03 N ATOM 808 CA TYR A 54 -8.368 9.499 -9.248 1.00 23.21 C ATOM 809 C TYR A 54 -7.557 10.630 -9.873 1.00 1.13 C ATOM 810 O TYR A 54 -7.736 10.964 -11.045 1.00 2.14 O ATOM 811 CB TYR A 54 -7.810 8.147 -9.697 1.00 1.12 C ATOM 812 CG TYR A 54 -7.757 7.117 -8.592 1.00 72.21 C ATOM 813 CD1 TYR A 54 -8.834 6.935 -7.733 1.00 14.32 C ATOM 814 CD2 TYR A 54 -6.630 6.325 -8.406 1.00 35.22 C ATOM 815 CE1 TYR A 54 -8.791 5.995 -6.722 1.00 55.42 C ATOM 816 CE2 TYR A 54 -6.579 5.381 -7.398 1.00 12.42 C ATOM 817 CZ TYR A 54 -7.661 5.221 -6.558 1.00 54.01 C ATOM 818 OH TYR A 54 -7.614 4.283 -5.553 1.00 4.31 O ATOM 0 H TYR A 54 -10.036 9.108 -10.456 1.00 52.03 H new ATOM 0 HA TYR A 54 -8.288 9.575 -8.164 1.00 23.21 H new ATOM 0 HB2 TYR A 54 -8.424 7.762 -10.512 1.00 1.12 H new ATOM 0 HB3 TYR A 54 -6.806 8.292 -10.096 1.00 1.12 H new ATOM 0 HD1 TYR A 54 -9.720 7.539 -7.858 1.00 14.32 H new ATOM 0 HD2 TYR A 54 -5.780 6.449 -9.060 1.00 35.22 H new ATOM 0 HE1 TYR A 54 -9.637 5.867 -6.064 1.00 55.42 H new ATOM 0 HE2 TYR A 54 -5.697 4.772 -7.269 1.00 12.42 H new ATOM 0 HH TYR A 54 -6.749 3.823 -5.575 1.00 4.31 H new ATOM 828 N PHE A 55 -6.662 11.215 -9.083 1.00 22.32 N ATOM 829 CA PHE A 55 -5.823 12.309 -9.558 1.00 24.53 C ATOM 830 C PHE A 55 -4.383 12.133 -9.084 1.00 1.25 C ATOM 831 O PHE A 55 -4.054 11.162 -8.400 1.00 12.42 O ATOM 832 CB PHE A 55 -6.372 13.650 -9.069 1.00 42.24 C ATOM 833 CG PHE A 55 -5.837 14.065 -7.728 1.00 72.21 C ATOM 834 CD1 PHE A 55 -5.921 13.213 -6.640 1.00 21.52 C ATOM 835 CD2 PHE A 55 -5.251 15.309 -7.556 1.00 71.35 C ATOM 836 CE1 PHE A 55 -5.429 13.591 -5.405 1.00 62.12 C ATOM 837 CE2 PHE A 55 -4.757 15.692 -6.325 1.00 1.34 C ATOM 838 CZ PHE A 55 -4.847 14.834 -5.246 1.00 60.54 C ATOM 0 H PHE A 55 -6.499 10.950 -8.112 1.00 22.32 H new ATOM 0 HA PHE A 55 -5.833 12.296 -10.648 1.00 24.53 H new ATOM 0 HB2 PHE A 55 -6.131 14.421 -9.801 1.00 42.24 H new ATOM 0 HB3 PHE A 55 -7.459 13.590 -9.015 1.00 42.24 H new ATOM 0 HD1 PHE A 55 -6.377 12.241 -6.758 1.00 21.52 H new ATOM 0 HD2 PHE A 55 -5.180 15.986 -8.394 1.00 71.35 H new ATOM 0 HE1 PHE A 55 -5.499 12.916 -4.565 1.00 62.12 H new ATOM 0 HE2 PHE A 55 -4.300 16.663 -6.205 1.00 1.34 H new ATOM 0 HZ PHE A 55 -4.464 15.134 -4.282 1.00 60.54 H new ATOM 848 N THR A 56 -3.525 13.080 -9.452 1.00 74.23 N ATOM 849 CA THR A 56 -2.121 13.031 -9.068 1.00 23.13 C ATOM 850 C THR A 56 -1.562 14.432 -8.845 1.00 62.33 C ATOM 851 O THR A 56 -2.261 15.427 -9.032 1.00 41.35 O ATOM 852 CB THR A 56 -1.270 12.315 -10.135 1.00 0.33 C ATOM 853 OG1 THR A 56 -1.213 13.106 -11.326 1.00 71.32 O ATOM 854 CG2 THR A 56 -1.847 10.944 -10.456 1.00 1.31 C ATOM 0 H THR A 56 -3.779 13.891 -10.016 1.00 74.23 H new ATOM 0 HA THR A 56 -2.069 12.469 -8.135 1.00 23.13 H new ATOM 0 HB THR A 56 -0.263 12.184 -9.739 1.00 0.33 H new ATOM 0 HG1 THR A 56 -0.669 12.646 -11.999 1.00 71.32 H new ATOM 0 HG21 THR A 56 -1.230 10.457 -11.211 1.00 1.31 H new ATOM 0 HG22 THR A 56 -1.862 10.335 -9.552 1.00 1.31 H new ATOM 0 HG23 THR A 56 -2.863 11.056 -10.835 1.00 1.31 H new ATOM 862 N LYS A 57 -0.297 14.503 -8.444 1.00 24.42 N ATOM 863 CA LYS A 57 0.357 15.782 -8.198 1.00 23.30 C ATOM 864 C LYS A 57 0.816 16.419 -9.505 1.00 13.10 C ATOM 865 O LYS A 57 1.757 15.947 -10.141 1.00 63.53 O ATOM 866 CB LYS A 57 1.555 15.594 -7.262 1.00 55.11 C ATOM 867 CG LYS A 57 1.231 14.790 -6.015 1.00 33.45 C ATOM 868 CD LYS A 57 2.069 15.238 -4.829 1.00 53.12 C ATOM 869 CE LYS A 57 3.388 14.483 -4.762 1.00 1.13 C ATOM 870 NZ LYS A 57 4.422 15.094 -5.641 1.00 41.32 N ATOM 0 H LYS A 57 0.296 13.689 -8.283 1.00 24.42 H new ATOM 0 HA LYS A 57 -0.366 16.446 -7.725 1.00 23.30 H new ATOM 0 HB2 LYS A 57 2.357 15.096 -7.807 1.00 55.11 H new ATOM 0 HB3 LYS A 57 1.931 16.573 -6.966 1.00 55.11 H new ATOM 0 HG2 LYS A 57 0.173 14.898 -5.776 1.00 33.45 H new ATOM 0 HG3 LYS A 57 1.407 13.732 -6.207 1.00 33.45 H new ATOM 0 HD2 LYS A 57 2.264 16.308 -4.903 1.00 53.12 H new ATOM 0 HD3 LYS A 57 1.510 15.079 -3.907 1.00 53.12 H new ATOM 0 HE2 LYS A 57 3.747 14.471 -3.733 1.00 1.13 H new ATOM 0 HE3 LYS A 57 3.228 13.446 -5.056 1.00 1.13 H new ATOM 0 HZ1 LYS A 57 5.346 14.661 -5.443 1.00 41.32 H new ATOM 0 HZ2 LYS A 57 4.170 14.932 -6.637 1.00 41.32 H new ATOM 0 HZ3 LYS A 57 4.473 16.117 -5.458 1.00 41.32 H new ATOM 884 N GLY A 58 0.145 17.497 -9.901 1.00 12.32 N ATOM 885 CA GLY A 58 0.499 18.182 -11.130 1.00 12.42 C ATOM 886 C GLY A 58 -0.664 18.277 -12.096 1.00 54.13 C ATOM 887 O GLY A 58 -0.484 18.634 -13.261 1.00 33.41 O ATOM 0 H GLY A 58 -0.638 17.908 -9.392 1.00 12.32 H new ATOM 0 HA2 GLY A 58 0.854 19.185 -10.894 1.00 12.42 H new ATOM 0 HA3 GLY A 58 1.324 17.657 -11.610 1.00 12.42 H new ATOM 891 N MET A 59 -1.860 17.957 -11.614 1.00 31.51 N ATOM 892 CA MET A 59 -3.057 18.008 -12.445 1.00 54.02 C ATOM 893 C MET A 59 -4.059 19.019 -11.894 1.00 42.25 C ATOM 894 O MET A 59 -5.150 19.184 -12.438 1.00 1.00 O ATOM 895 CB MET A 59 -3.706 16.625 -12.528 1.00 71.54 C ATOM 896 CG MET A 59 -2.835 15.586 -13.217 1.00 42.32 C ATOM 897 SD MET A 59 -3.128 15.504 -14.995 1.00 60.33 S ATOM 898 CE MET A 59 -4.192 14.066 -15.096 1.00 15.02 C ATOM 0 H MET A 59 -2.026 17.660 -10.653 1.00 31.51 H new ATOM 0 HA MET A 59 -2.761 18.324 -13.445 1.00 54.02 H new ATOM 0 HB2 MET A 59 -3.940 16.281 -11.520 1.00 71.54 H new ATOM 0 HB3 MET A 59 -4.652 16.708 -13.064 1.00 71.54 H new ATOM 0 HG2 MET A 59 -1.786 15.819 -13.036 1.00 42.32 H new ATOM 0 HG3 MET A 59 -3.025 14.608 -12.776 1.00 42.32 H new ATOM 0 HE1 MET A 59 -4.461 13.885 -16.137 1.00 15.02 H new ATOM 0 HE2 MET A 59 -3.667 13.197 -14.700 1.00 15.02 H new ATOM 0 HE3 MET A 59 -5.096 14.241 -14.513 1.00 15.02 H new ATOM 908 N MET A 60 -3.680 19.692 -10.813 1.00 24.14 N ATOM 909 CA MET A 60 -4.544 20.687 -10.190 1.00 52.02 C ATOM 910 C MET A 60 -3.758 21.944 -9.833 1.00 24.32 C ATOM 911 O MET A 60 -2.609 22.108 -10.245 1.00 34.44 O ATOM 912 CB MET A 60 -5.202 20.108 -8.935 1.00 52.45 C ATOM 913 CG MET A 60 -5.911 18.786 -9.176 1.00 74.44 C ATOM 914 SD MET A 60 -7.500 18.989 -10.005 1.00 11.40 S ATOM 915 CE MET A 60 -7.711 17.367 -10.735 1.00 33.43 C ATOM 0 H MET A 60 -2.780 19.566 -10.350 1.00 24.14 H new ATOM 0 HA MET A 60 -5.320 20.957 -10.906 1.00 52.02 H new ATOM 0 HB2 MET A 60 -4.441 19.968 -8.167 1.00 52.45 H new ATOM 0 HB3 MET A 60 -5.919 20.830 -8.545 1.00 52.45 H new ATOM 0 HG2 MET A 60 -5.272 18.140 -9.778 1.00 74.44 H new ATOM 0 HG3 MET A 60 -6.065 18.282 -8.222 1.00 74.44 H new ATOM 0 HE1 MET A 60 -8.652 17.335 -11.284 1.00 33.43 H new ATOM 0 HE2 MET A 60 -6.886 17.165 -11.418 1.00 33.43 H new ATOM 0 HE3 MET A 60 -7.723 16.613 -9.948 1.00 33.43 H new ATOM 925 N VAL A 61 -4.383 22.829 -9.063 1.00 54.12 N ATOM 926 CA VAL A 61 -3.740 24.071 -8.649 1.00 11.12 C ATOM 927 C VAL A 61 -3.101 23.927 -7.272 1.00 74.53 C ATOM 928 O VAL A 61 -3.322 22.938 -6.573 1.00 71.55 O ATOM 929 CB VAL A 61 -4.745 25.238 -8.617 1.00 3.10 C ATOM 930 CG1 VAL A 61 -5.463 25.362 -9.952 1.00 62.22 C ATOM 931 CG2 VAL A 61 -5.741 25.054 -7.482 1.00 62.21 C ATOM 0 H VAL A 61 -5.334 22.709 -8.713 1.00 54.12 H new ATOM 0 HA VAL A 61 -2.965 24.287 -9.384 1.00 11.12 H new ATOM 0 HB VAL A 61 -4.195 26.162 -8.440 1.00 3.10 H new ATOM 0 HG11 VAL A 61 -6.169 26.192 -9.910 1.00 62.22 H new ATOM 0 HG12 VAL A 61 -4.734 25.545 -10.741 1.00 62.22 H new ATOM 0 HG13 VAL A 61 -6.001 24.438 -10.163 1.00 62.22 H new ATOM 0 HG21 VAL A 61 -6.443 25.888 -7.475 1.00 62.21 H new ATOM 0 HG22 VAL A 61 -6.287 24.121 -7.625 1.00 62.21 H new ATOM 0 HG23 VAL A 61 -5.208 25.021 -6.532 1.00 62.21 H new ATOM 941 N LYS A 62 -2.308 24.921 -6.888 1.00 30.33 N ATOM 942 CA LYS A 62 -1.636 24.908 -5.594 1.00 33.31 C ATOM 943 C LYS A 62 -2.649 24.812 -4.457 1.00 32.53 C ATOM 944 O LYS A 62 -2.629 23.879 -3.653 1.00 15.00 O ATOM 945 CB LYS A 62 -0.783 26.167 -5.426 1.00 61.33 C ATOM 946 CG LYS A 62 -0.667 26.635 -3.986 1.00 10.10 C ATOM 947 CD LYS A 62 0.464 27.636 -3.814 1.00 71.25 C ATOM 948 CE LYS A 62 0.829 27.817 -2.350 1.00 5.31 C ATOM 949 NZ LYS A 62 1.661 29.033 -2.133 1.00 25.13 N ATOM 0 H LYS A 62 -2.115 25.747 -7.455 1.00 30.33 H new ATOM 0 HA LYS A 62 -0.989 24.031 -5.557 1.00 33.31 H new ATOM 0 HB2 LYS A 62 0.216 25.974 -5.818 1.00 61.33 H new ATOM 0 HB3 LYS A 62 -1.212 26.969 -6.027 1.00 61.33 H new ATOM 0 HG2 LYS A 62 -1.607 27.090 -3.673 1.00 10.10 H new ATOM 0 HG3 LYS A 62 -0.496 25.777 -3.336 1.00 10.10 H new ATOM 0 HD2 LYS A 62 1.339 27.297 -4.369 1.00 71.25 H new ATOM 0 HD3 LYS A 62 0.169 28.596 -4.238 1.00 71.25 H new ATOM 0 HE2 LYS A 62 -0.081 27.889 -1.755 1.00 5.31 H new ATOM 0 HE3 LYS A 62 1.371 26.939 -1.999 1.00 5.31 H new ATOM 0 HZ1 LYS A 62 1.889 29.122 -1.122 1.00 25.13 H new ATOM 0 HZ2 LYS A 62 2.541 28.954 -2.681 1.00 25.13 H new ATOM 0 HZ3 LYS A 62 1.134 29.874 -2.444 1.00 25.13 H new ATOM 963 N PRO A 63 -3.557 25.797 -4.387 1.00 22.44 N ATOM 964 CA PRO A 63 -4.596 25.844 -3.354 1.00 3.04 C ATOM 965 C PRO A 63 -5.647 24.755 -3.537 1.00 50.13 C ATOM 966 O PRO A 63 -6.847 25.018 -3.463 1.00 72.31 O ATOM 967 CB PRO A 63 -5.221 27.228 -3.542 1.00 2.41 C ATOM 968 CG PRO A 63 -4.962 27.569 -4.968 1.00 43.35 C ATOM 969 CD PRO A 63 -3.640 26.940 -5.312 1.00 33.54 C ATOM 0 HA PRO A 63 -4.187 25.678 -2.357 1.00 3.04 H new ATOM 0 HB2 PRO A 63 -6.289 27.213 -3.326 1.00 2.41 H new ATOM 0 HB3 PRO A 63 -4.771 27.960 -2.872 1.00 2.41 H new ATOM 0 HG2 PRO A 63 -5.755 27.186 -5.611 1.00 43.35 H new ATOM 0 HG3 PRO A 63 -4.929 28.649 -5.111 1.00 43.35 H new ATOM 0 HD2 PRO A 63 -3.606 26.618 -6.353 1.00 33.54 H new ATOM 0 HD3 PRO A 63 -2.814 27.636 -5.167 1.00 33.54 H new ATOM 977 N PHE A 64 -5.188 23.531 -3.778 1.00 35.11 N ATOM 978 CA PHE A 64 -6.090 22.402 -3.973 1.00 23.12 C ATOM 979 C PHE A 64 -5.333 21.080 -3.882 1.00 60.21 C ATOM 980 O PHE A 64 -5.620 20.247 -3.022 1.00 3.10 O ATOM 981 CB PHE A 64 -6.790 22.509 -5.329 1.00 54.25 C ATOM 982 CG PHE A 64 -7.693 21.347 -5.632 1.00 12.31 C ATOM 983 CD1 PHE A 64 -7.180 20.175 -6.162 1.00 53.05 C ATOM 984 CD2 PHE A 64 -9.054 21.428 -5.384 1.00 71.42 C ATOM 985 CE1 PHE A 64 -8.010 19.105 -6.443 1.00 3.33 C ATOM 986 CE2 PHE A 64 -9.887 20.361 -5.661 1.00 74.11 C ATOM 987 CZ PHE A 64 -9.365 19.198 -6.190 1.00 63.15 C ATOM 0 H PHE A 64 -4.198 23.296 -3.843 1.00 35.11 H new ATOM 0 HA PHE A 64 -6.840 22.427 -3.182 1.00 23.12 H new ATOM 0 HB2 PHE A 64 -7.374 23.429 -5.356 1.00 54.25 H new ATOM 0 HB3 PHE A 64 -6.036 22.587 -6.113 1.00 54.25 H new ATOM 0 HD1 PHE A 64 -6.121 20.096 -6.358 1.00 53.05 H new ATOM 0 HD2 PHE A 64 -9.468 22.335 -4.970 1.00 71.42 H new ATOM 0 HE1 PHE A 64 -7.599 18.197 -6.860 1.00 3.33 H new ATOM 0 HE2 PHE A 64 -10.946 20.437 -5.464 1.00 74.11 H new ATOM 0 HZ PHE A 64 -10.014 18.362 -6.406 1.00 63.15 H new ATOM 997 N GLU A 65 -4.367 20.895 -4.776 1.00 0.14 N ATOM 998 CA GLU A 65 -3.571 19.674 -4.797 1.00 43.22 C ATOM 999 C GLU A 65 -2.991 19.377 -3.416 1.00 14.00 C ATOM 1000 O GLU A 65 -3.088 18.256 -2.919 1.00 34.50 O ATOM 1001 CB GLU A 65 -2.439 19.794 -5.821 1.00 20.24 C ATOM 1002 CG GLU A 65 -1.455 18.637 -5.779 1.00 1.23 C ATOM 1003 CD GLU A 65 -0.291 18.827 -6.732 1.00 73.24 C ATOM 1004 OE1 GLU A 65 -0.527 19.282 -7.872 1.00 34.51 O ATOM 1005 OE2 GLU A 65 0.853 18.519 -6.341 1.00 44.32 O ATOM 0 H GLU A 65 -4.117 21.574 -5.494 1.00 0.14 H new ATOM 0 HA GLU A 65 -4.225 18.850 -5.082 1.00 43.22 H new ATOM 0 HB2 GLU A 65 -2.870 19.858 -6.820 1.00 20.24 H new ATOM 0 HB3 GLU A 65 -1.900 20.725 -5.646 1.00 20.24 H new ATOM 0 HG2 GLU A 65 -1.074 18.525 -4.764 1.00 1.23 H new ATOM 0 HG3 GLU A 65 -1.976 17.712 -6.027 1.00 1.23 H new ATOM 1012 N ASP A 66 -2.391 20.391 -2.803 1.00 51.05 N ATOM 1013 CA ASP A 66 -1.797 20.241 -1.480 1.00 22.13 C ATOM 1014 C ASP A 66 -2.807 19.663 -0.493 1.00 62.34 C ATOM 1015 O ASP A 66 -2.489 18.755 0.275 1.00 14.40 O ATOM 1016 CB ASP A 66 -1.282 21.588 -0.972 1.00 15.12 C ATOM 1017 CG ASP A 66 -0.756 21.510 0.448 1.00 53.01 C ATOM 1018 OD1 ASP A 66 -1.552 21.710 1.388 1.00 55.41 O ATOM 1019 OD2 ASP A 66 0.453 21.247 0.618 1.00 12.31 O ATOM 0 H ASP A 66 -2.303 21.326 -3.201 1.00 51.05 H new ATOM 0 HA ASP A 66 -0.959 19.549 -1.562 1.00 22.13 H new ATOM 0 HB2 ASP A 66 -0.489 21.942 -1.631 1.00 15.12 H new ATOM 0 HB3 ASP A 66 -2.087 22.322 -1.018 1.00 15.12 H new ATOM 1024 N ALA A 67 -4.024 20.196 -0.520 1.00 22.31 N ATOM 1025 CA ALA A 67 -5.081 19.733 0.370 1.00 12.44 C ATOM 1026 C ALA A 67 -6.057 18.820 -0.364 1.00 12.42 C ATOM 1027 O ALA A 67 -7.262 18.858 -0.116 1.00 60.21 O ATOM 1028 CB ALA A 67 -5.818 20.919 0.977 1.00 24.10 C ATOM 0 H ALA A 67 -4.302 20.949 -1.149 1.00 22.31 H new ATOM 0 HA ALA A 67 -4.620 19.157 1.172 1.00 12.44 H new ATOM 0 HB1 ALA A 67 -6.605 20.558 1.640 1.00 24.10 H new ATOM 0 HB2 ALA A 67 -5.117 21.531 1.545 1.00 24.10 H new ATOM 0 HB3 ALA A 67 -6.260 21.518 0.181 1.00 24.10 H new ATOM 1034 N ALA A 68 -5.529 18.002 -1.268 1.00 24.32 N ATOM 1035 CA ALA A 68 -6.354 17.079 -2.037 1.00 41.24 C ATOM 1036 C ALA A 68 -6.011 15.630 -1.707 1.00 35.14 C ATOM 1037 O ALA A 68 -6.809 14.723 -1.944 1.00 20.13 O ATOM 1038 CB ALA A 68 -6.185 17.336 -3.527 1.00 72.34 C ATOM 0 H ALA A 68 -4.533 17.960 -1.486 1.00 24.32 H new ATOM 0 HA ALA A 68 -7.396 17.250 -1.765 1.00 41.24 H new ATOM 0 HB1 ALA A 68 -6.807 16.639 -4.089 1.00 72.34 H new ATOM 0 HB2 ALA A 68 -6.486 18.358 -3.756 1.00 72.34 H new ATOM 0 HB3 ALA A 68 -5.140 17.195 -3.804 1.00 72.34 H new ATOM 1044 N PHE A 69 -4.820 15.419 -1.158 1.00 0.43 N ATOM 1045 CA PHE A 69 -4.371 14.080 -0.796 1.00 11.11 C ATOM 1046 C PHE A 69 -3.982 14.016 0.679 1.00 14.52 C ATOM 1047 O PHE A 69 -3.625 12.957 1.194 1.00 1.11 O ATOM 1048 CB PHE A 69 -3.182 13.665 -1.665 1.00 51.25 C ATOM 1049 CG PHE A 69 -2.173 14.760 -1.863 1.00 63.53 C ATOM 1050 CD1 PHE A 69 -1.510 15.312 -0.780 1.00 61.13 C ATOM 1051 CD2 PHE A 69 -1.888 15.236 -3.132 1.00 52.24 C ATOM 1052 CE1 PHE A 69 -0.580 16.319 -0.959 1.00 32.13 C ATOM 1053 CE2 PHE A 69 -0.959 16.243 -3.317 1.00 72.51 C ATOM 1054 CZ PHE A 69 -0.305 16.785 -2.229 1.00 1.41 C ATOM 0 H PHE A 69 -4.148 16.159 -0.954 1.00 0.43 H new ATOM 0 HA PHE A 69 -5.197 13.389 -0.967 1.00 11.11 H new ATOM 0 HB2 PHE A 69 -2.690 12.807 -1.207 1.00 51.25 H new ATOM 0 HB3 PHE A 69 -3.550 13.340 -2.638 1.00 51.25 H new ATOM 0 HD1 PHE A 69 -1.722 14.952 0.216 1.00 61.13 H new ATOM 0 HD2 PHE A 69 -2.397 14.816 -3.987 1.00 52.24 H new ATOM 0 HE1 PHE A 69 -0.069 16.741 -0.106 1.00 32.13 H new ATOM 0 HE2 PHE A 69 -0.745 16.605 -4.312 1.00 72.51 H new ATOM 0 HZ PHE A 69 0.421 17.572 -2.371 1.00 1.41 H new ATOM 1064 N LYS A 70 -4.056 15.159 1.354 1.00 73.03 N ATOM 1065 CA LYS A 70 -3.714 15.236 2.769 1.00 63.41 C ATOM 1066 C LYS A 70 -4.953 15.051 3.639 1.00 0.11 C ATOM 1067 O LYS A 70 -4.931 15.337 4.837 1.00 61.14 O ATOM 1068 CB LYS A 70 -3.052 16.579 3.083 1.00 11.22 C ATOM 1069 CG LYS A 70 -4.044 17.701 3.334 1.00 53.31 C ATOM 1070 CD LYS A 70 -3.350 19.050 3.424 1.00 51.13 C ATOM 1071 CE LYS A 70 -4.260 20.106 4.032 1.00 63.14 C ATOM 1072 NZ LYS A 70 -3.627 21.453 4.027 1.00 43.11 N ATOM 0 H LYS A 70 -4.350 16.045 0.943 1.00 73.03 H new ATOM 0 HA LYS A 70 -3.012 14.432 2.992 1.00 63.41 H new ATOM 0 HB2 LYS A 70 -2.416 16.465 3.961 1.00 11.22 H new ATOM 0 HB3 LYS A 70 -2.403 16.858 2.253 1.00 11.22 H new ATOM 0 HG2 LYS A 70 -4.781 17.723 2.531 1.00 53.31 H new ATOM 0 HG3 LYS A 70 -4.587 17.508 4.259 1.00 53.31 H new ATOM 0 HD2 LYS A 70 -2.447 18.956 4.027 1.00 51.13 H new ATOM 0 HD3 LYS A 70 -3.038 19.367 2.429 1.00 51.13 H new ATOM 0 HE2 LYS A 70 -5.196 20.143 3.475 1.00 63.14 H new ATOM 0 HE3 LYS A 70 -4.509 19.825 5.055 1.00 63.14 H new ATOM 0 HZ1 LYS A 70 -4.363 22.182 3.934 1.00 43.11 H new ATOM 0 HZ2 LYS A 70 -3.109 21.596 4.917 1.00 43.11 H new ATOM 0 HZ3 LYS A 70 -2.967 21.523 3.227 1.00 43.11 H new ATOM 1086 N LEU A 71 -6.031 14.570 3.030 1.00 55.11 N ATOM 1087 CA LEU A 71 -7.280 14.346 3.750 1.00 1.34 C ATOM 1088 C LEU A 71 -7.361 12.913 4.266 1.00 15.12 C ATOM 1089 O LEU A 71 -6.464 12.106 4.026 1.00 31.03 O ATOM 1090 CB LEU A 71 -8.475 14.643 2.842 1.00 33.44 C ATOM 1091 CG LEU A 71 -8.289 15.779 1.837 1.00 71.42 C ATOM 1092 CD1 LEU A 71 -9.441 15.808 0.845 1.00 63.05 C ATOM 1093 CD2 LEU A 71 -8.169 17.114 2.557 1.00 44.34 C ATOM 0 H LEU A 71 -6.066 14.328 2.040 1.00 55.11 H new ATOM 0 HA LEU A 71 -7.305 15.022 4.605 1.00 1.34 H new ATOM 0 HB2 LEU A 71 -8.722 13.735 2.292 1.00 33.44 H new ATOM 0 HB3 LEU A 71 -9.334 14.878 3.471 1.00 33.44 H new ATOM 0 HG LEU A 71 -7.366 15.602 1.285 1.00 71.42 H new ATOM 0 HD11 LEU A 71 -9.291 16.623 0.137 1.00 63.05 H new ATOM 0 HD12 LEU A 71 -9.480 14.862 0.305 1.00 63.05 H new ATOM 0 HD13 LEU A 71 -10.378 15.960 1.380 1.00 63.05 H new ATOM 0 HD21 LEU A 71 -8.037 17.911 1.826 1.00 44.34 H new ATOM 0 HD22 LEU A 71 -9.074 17.298 3.135 1.00 44.34 H new ATOM 0 HD23 LEU A 71 -7.309 17.090 3.227 1.00 44.34 H new ATOM 1105 N GLN A 72 -8.444 12.604 4.973 1.00 40.51 N ATOM 1106 CA GLN A 72 -8.643 11.268 5.521 1.00 24.04 C ATOM 1107 C GLN A 72 -9.551 10.440 4.620 1.00 55.12 C ATOM 1108 O GLN A 72 -10.254 10.979 3.764 1.00 15.33 O ATOM 1109 CB GLN A 72 -9.238 11.354 6.927 1.00 34.13 C ATOM 1110 CG GLN A 72 -8.217 11.152 8.035 1.00 40.31 C ATOM 1111 CD GLN A 72 -6.908 11.866 7.759 1.00 54.21 C ATOM 1112 OE1 GLN A 72 -6.831 13.093 7.829 1.00 13.30 O ATOM 1113 NE2 GLN A 72 -5.870 11.101 7.444 1.00 75.43 N ATOM 0 H GLN A 72 -9.196 13.261 5.179 1.00 40.51 H new ATOM 0 HA GLN A 72 -7.672 10.776 5.576 1.00 24.04 H new ATOM 0 HB2 GLN A 72 -9.710 12.328 7.053 1.00 34.13 H new ATOM 0 HB3 GLN A 72 -10.023 10.604 7.027 1.00 34.13 H new ATOM 0 HG2 GLN A 72 -8.632 11.512 8.976 1.00 40.31 H new ATOM 0 HG3 GLN A 72 -8.026 10.086 8.158 1.00 40.31 H new ATOM 0 HE21 GLN A 72 -5.979 10.088 7.397 1.00 75.43 H new ATOM 0 HE22 GLN A 72 -4.964 11.526 7.249 1.00 75.43 H new ATOM 1122 N VAL A 73 -9.534 9.125 4.816 1.00 33.15 N ATOM 1123 CA VAL A 73 -10.358 8.222 4.022 1.00 21.02 C ATOM 1124 C VAL A 73 -11.841 8.509 4.226 1.00 52.20 C ATOM 1125 O VAL A 73 -12.468 7.973 5.140 1.00 43.43 O ATOM 1126 CB VAL A 73 -10.078 6.750 4.375 1.00 71.20 C ATOM 1127 CG1 VAL A 73 -10.965 5.825 3.556 1.00 13.24 C ATOM 1128 CG2 VAL A 73 -8.608 6.421 4.159 1.00 35.01 C ATOM 0 H VAL A 73 -8.958 8.661 5.519 1.00 33.15 H new ATOM 0 HA VAL A 73 -10.098 8.393 2.977 1.00 21.02 H new ATOM 0 HB VAL A 73 -10.311 6.597 5.429 1.00 71.20 H new ATOM 0 HG11 VAL A 73 -10.752 4.789 3.820 1.00 13.24 H new ATOM 0 HG12 VAL A 73 -12.012 6.045 3.765 1.00 13.24 H new ATOM 0 HG13 VAL A 73 -10.768 5.977 2.495 1.00 13.24 H new ATOM 0 HG21 VAL A 73 -8.428 5.377 4.413 1.00 35.01 H new ATOM 0 HG22 VAL A 73 -8.347 6.590 3.114 1.00 35.01 H new ATOM 0 HG23 VAL A 73 -7.995 7.060 4.794 1.00 35.01 H new ATOM 1138 N GLY A 74 -12.399 9.358 3.367 1.00 24.14 N ATOM 1139 CA GLY A 74 -13.804 9.700 3.469 1.00 13.42 C ATOM 1140 C GLY A 74 -14.034 10.977 4.254 1.00 41.55 C ATOM 1141 O GLY A 74 -15.127 11.206 4.772 1.00 3.12 O ATOM 0 H GLY A 74 -11.902 9.814 2.602 1.00 24.14 H new ATOM 0 HA2 GLY A 74 -14.221 9.812 2.468 1.00 13.42 H new ATOM 0 HA3 GLY A 74 -14.340 8.881 3.948 1.00 13.42 H new ATOM 1145 N GLU A 75 -13.002 11.810 4.342 1.00 51.53 N ATOM 1146 CA GLU A 75 -13.096 13.070 5.071 1.00 61.44 C ATOM 1147 C GLU A 75 -13.188 14.250 4.108 1.00 22.24 C ATOM 1148 O GLU A 75 -12.756 14.163 2.958 1.00 4.23 O ATOM 1149 CB GLU A 75 -11.888 13.242 5.994 1.00 33.01 C ATOM 1150 CG GLU A 75 -12.097 14.282 7.082 1.00 71.24 C ATOM 1151 CD GLU A 75 -11.667 15.671 6.651 1.00 62.23 C ATOM 1152 OE1 GLU A 75 -11.202 15.819 5.501 1.00 74.15 O ATOM 1153 OE2 GLU A 75 -11.796 16.610 7.463 1.00 44.31 O ATOM 0 H GLU A 75 -12.091 11.635 3.918 1.00 51.53 H new ATOM 0 HA GLU A 75 -14.004 13.045 5.674 1.00 61.44 H new ATOM 0 HB2 GLU A 75 -11.657 12.283 6.459 1.00 33.01 H new ATOM 0 HB3 GLU A 75 -11.021 13.523 5.396 1.00 33.01 H new ATOM 0 HG2 GLU A 75 -13.150 14.302 7.363 1.00 71.24 H new ATOM 0 HG3 GLU A 75 -11.536 13.991 7.970 1.00 71.24 H new ATOM 1160 N VAL A 76 -13.753 15.354 4.587 1.00 40.25 N ATOM 1161 CA VAL A 76 -13.901 16.553 3.770 1.00 31.21 C ATOM 1162 C VAL A 76 -12.872 17.610 4.155 1.00 13.43 C ATOM 1163 O VAL A 76 -12.709 17.931 5.333 1.00 64.13 O ATOM 1164 CB VAL A 76 -15.313 17.152 3.904 1.00 11.23 C ATOM 1165 CG1 VAL A 76 -15.434 18.424 3.079 1.00 51.12 C ATOM 1166 CG2 VAL A 76 -16.365 16.136 3.487 1.00 34.32 C ATOM 0 H VAL A 76 -14.116 15.443 5.536 1.00 40.25 H new ATOM 0 HA VAL A 76 -13.739 16.254 2.735 1.00 31.21 H new ATOM 0 HB VAL A 76 -15.482 17.408 4.950 1.00 11.23 H new ATOM 0 HG11 VAL A 76 -16.439 18.833 3.186 1.00 51.12 H new ATOM 0 HG12 VAL A 76 -14.705 19.155 3.429 1.00 51.12 H new ATOM 0 HG13 VAL A 76 -15.245 18.197 2.030 1.00 51.12 H new ATOM 0 HG21 VAL A 76 -17.357 16.577 3.588 1.00 34.32 H new ATOM 0 HG22 VAL A 76 -16.201 15.847 2.449 1.00 34.32 H new ATOM 0 HG23 VAL A 76 -16.293 15.255 4.125 1.00 34.32 H new ATOM 1176 N SER A 77 -12.183 18.149 3.156 1.00 12.10 N ATOM 1177 CA SER A 77 -11.168 19.170 3.390 1.00 24.24 C ATOM 1178 C SER A 77 -11.807 20.481 3.835 1.00 54.13 C ATOM 1179 O SER A 77 -12.986 20.520 4.189 1.00 61.22 O ATOM 1180 CB SER A 77 -10.340 19.397 2.123 1.00 32.44 C ATOM 1181 OG SER A 77 -9.046 19.878 2.439 1.00 21.10 O ATOM 0 H SER A 77 -12.309 17.896 2.176 1.00 12.10 H new ATOM 0 HA SER A 77 -10.512 18.818 4.186 1.00 24.24 H new ATOM 0 HB2 SER A 77 -10.258 18.464 1.566 1.00 32.44 H new ATOM 0 HB3 SER A 77 -10.849 20.111 1.475 1.00 32.44 H new ATOM 0 HG SER A 77 -8.786 20.566 1.791 1.00 21.10 H new ATOM 1187 N GLU A 78 -11.022 21.553 3.815 1.00 71.13 N ATOM 1188 CA GLU A 78 -11.512 22.866 4.217 1.00 63.15 C ATOM 1189 C GLU A 78 -11.735 23.759 3.000 1.00 55.45 C ATOM 1190 O GLU A 78 -11.214 23.512 1.912 1.00 74.21 O ATOM 1191 CB GLU A 78 -10.522 23.532 5.177 1.00 55.15 C ATOM 1192 CG GLU A 78 -9.068 23.230 4.857 1.00 0.34 C ATOM 1193 CD GLU A 78 -8.109 23.896 5.825 1.00 0.22 C ATOM 1194 OE1 GLU A 78 -7.783 23.275 6.858 1.00 0.43 O ATOM 1195 OE2 GLU A 78 -7.684 25.037 5.549 1.00 13.42 O ATOM 0 H GLU A 78 -10.044 21.538 3.525 1.00 71.13 H new ATOM 0 HA GLU A 78 -12.466 22.730 4.726 1.00 63.15 H new ATOM 0 HB2 GLU A 78 -10.674 24.611 5.152 1.00 55.15 H new ATOM 0 HB3 GLU A 78 -10.737 23.203 6.194 1.00 55.15 H new ATOM 0 HG2 GLU A 78 -8.911 22.152 4.879 1.00 0.34 H new ATOM 0 HG3 GLU A 78 -8.846 23.563 3.843 1.00 0.34 H new ATOM 1202 N PRO A 79 -12.529 24.825 3.186 1.00 62.04 N ATOM 1203 CA PRO A 79 -12.840 25.777 2.116 1.00 41.32 C ATOM 1204 C PRO A 79 -11.633 26.622 1.722 1.00 34.33 C ATOM 1205 O PRO A 79 -11.448 27.730 2.227 1.00 34.40 O ATOM 1206 CB PRO A 79 -13.931 26.656 2.730 1.00 13.42 C ATOM 1207 CG PRO A 79 -13.706 26.568 4.201 1.00 55.32 C ATOM 1208 CD PRO A 79 -13.183 25.182 4.457 1.00 43.15 C ATOM 0 HA PRO A 79 -13.145 25.274 1.199 1.00 41.32 H new ATOM 0 HB2 PRO A 79 -13.855 27.685 2.379 1.00 13.42 H new ATOM 0 HB3 PRO A 79 -14.925 26.300 2.460 1.00 13.42 H new ATOM 0 HG2 PRO A 79 -12.992 27.322 4.532 1.00 55.32 H new ATOM 0 HG3 PRO A 79 -14.632 26.743 4.749 1.00 55.32 H new ATOM 0 HD2 PRO A 79 -12.480 25.165 5.290 1.00 43.15 H new ATOM 0 HD3 PRO A 79 -13.987 24.488 4.704 1.00 43.15 H new ATOM 1216 N ILE A 80 -10.816 26.093 0.819 1.00 73.03 N ATOM 1217 CA ILE A 80 -9.628 26.799 0.357 1.00 51.43 C ATOM 1218 C ILE A 80 -9.992 27.888 -0.648 1.00 62.43 C ATOM 1219 O ILE A 80 -10.389 27.599 -1.777 1.00 32.22 O ATOM 1220 CB ILE A 80 -8.616 25.836 -0.291 1.00 41.35 C ATOM 1221 CG1 ILE A 80 -8.385 24.622 0.611 1.00 1.31 C ATOM 1222 CG2 ILE A 80 -7.303 26.555 -0.568 1.00 14.34 C ATOM 1223 CD1 ILE A 80 -7.715 24.964 1.924 1.00 61.04 C ATOM 0 H ILE A 80 -10.955 25.177 0.392 1.00 73.03 H new ATOM 0 HA ILE A 80 -9.171 27.255 1.235 1.00 51.43 H new ATOM 0 HB ILE A 80 -9.024 25.488 -1.240 1.00 41.35 H new ATOM 0 HG12 ILE A 80 -9.343 24.143 0.815 1.00 1.31 H new ATOM 0 HG13 ILE A 80 -7.772 23.895 0.078 1.00 1.31 H new ATOM 0 HG21 ILE A 80 -6.598 25.861 -1.026 1.00 14.34 H new ATOM 0 HG22 ILE A 80 -7.481 27.391 -1.245 1.00 14.34 H new ATOM 0 HG23 ILE A 80 -6.888 26.929 0.368 1.00 14.34 H new ATOM 0 HD11 ILE A 80 -7.583 24.056 2.512 1.00 61.04 H new ATOM 0 HD12 ILE A 80 -6.742 25.415 1.729 1.00 61.04 H new ATOM 0 HD13 ILE A 80 -8.337 25.668 2.477 1.00 61.04 H new ATOM 1235 N LYS A 81 -9.852 29.142 -0.230 1.00 61.04 N ATOM 1236 CA LYS A 81 -10.162 30.275 -1.094 1.00 24.02 C ATOM 1237 C LYS A 81 -9.117 30.422 -2.195 1.00 2.22 C ATOM 1238 O LYS A 81 -7.945 30.680 -1.922 1.00 21.34 O ATOM 1239 CB LYS A 81 -10.237 31.564 -0.271 1.00 24.22 C ATOM 1240 CG LYS A 81 -10.758 32.756 -1.055 1.00 3.34 C ATOM 1241 CD LYS A 81 -12.150 33.158 -0.597 1.00 32.00 C ATOM 1242 CE LYS A 81 -12.702 34.303 -1.433 1.00 74.42 C ATOM 1243 NZ LYS A 81 -12.292 35.629 -0.896 1.00 44.13 N ATOM 0 H LYS A 81 -9.526 29.399 0.702 1.00 61.04 H new ATOM 0 HA LYS A 81 -11.130 30.091 -1.560 1.00 24.02 H new ATOM 0 HB2 LYS A 81 -10.882 31.397 0.592 1.00 24.22 H new ATOM 0 HB3 LYS A 81 -9.244 31.798 0.113 1.00 24.22 H new ATOM 0 HG2 LYS A 81 -10.077 33.598 -0.934 1.00 3.34 H new ATOM 0 HG3 LYS A 81 -10.779 32.513 -2.117 1.00 3.34 H new ATOM 0 HD2 LYS A 81 -12.819 32.300 -0.666 1.00 32.00 H new ATOM 0 HD3 LYS A 81 -12.118 33.454 0.452 1.00 32.00 H new ATOM 0 HE2 LYS A 81 -12.353 34.204 -2.461 1.00 74.42 H new ATOM 0 HE3 LYS A 81 -13.790 34.242 -1.459 1.00 74.42 H new ATOM 0 HZ1 LYS A 81 -12.688 36.383 -1.493 1.00 44.13 H new ATOM 0 HZ2 LYS A 81 -12.647 35.735 0.076 1.00 44.13 H new ATOM 0 HZ3 LYS A 81 -11.254 35.697 -0.895 1.00 44.13 H new ATOM 1257 N SER A 82 -9.550 30.259 -3.441 1.00 25.43 N ATOM 1258 CA SER A 82 -8.651 30.371 -4.584 1.00 1.14 C ATOM 1259 C SER A 82 -9.279 31.216 -5.688 1.00 4.14 C ATOM 1260 O SER A 82 -10.324 31.835 -5.491 1.00 33.00 O ATOM 1261 CB SER A 82 -8.303 28.983 -5.125 1.00 33.42 C ATOM 1262 OG SER A 82 -8.284 28.021 -4.084 1.00 64.15 O ATOM 0 H SER A 82 -10.518 30.049 -3.685 1.00 25.43 H new ATOM 0 HA SER A 82 -7.737 30.862 -4.249 1.00 1.14 H new ATOM 0 HB2 SER A 82 -9.031 28.691 -5.882 1.00 33.42 H new ATOM 0 HB3 SER A 82 -7.330 29.013 -5.615 1.00 33.42 H new ATOM 0 HG SER A 82 -8.061 27.142 -4.455 1.00 64.15 H new ATOM 1268 N GLU A 83 -8.633 31.236 -6.849 1.00 31.30 N ATOM 1269 CA GLU A 83 -9.128 32.006 -7.985 1.00 3.20 C ATOM 1270 C GLU A 83 -10.519 31.534 -8.397 1.00 61.43 C ATOM 1271 O GLU A 83 -11.330 32.316 -8.891 1.00 13.00 O ATOM 1272 CB GLU A 83 -8.165 31.887 -9.168 1.00 30.21 C ATOM 1273 CG GLU A 83 -7.756 30.457 -9.480 1.00 13.24 C ATOM 1274 CD GLU A 83 -6.365 30.123 -8.976 1.00 54.42 C ATOM 1275 OE1 GLU A 83 -5.464 30.977 -9.115 1.00 33.34 O ATOM 1276 OE2 GLU A 83 -6.179 29.009 -8.444 1.00 52.41 O ATOM 0 H GLU A 83 -7.767 30.729 -7.028 1.00 31.30 H new ATOM 0 HA GLU A 83 -9.193 33.051 -7.683 1.00 3.20 H new ATOM 0 HB2 GLU A 83 -8.632 32.323 -10.051 1.00 30.21 H new ATOM 0 HB3 GLU A 83 -7.271 32.474 -8.958 1.00 30.21 H new ATOM 0 HG2 GLU A 83 -8.475 29.772 -9.031 1.00 13.24 H new ATOM 0 HG3 GLU A 83 -7.795 30.299 -10.558 1.00 13.24 H new ATOM 1283 N PHE A 84 -10.786 30.249 -8.192 1.00 21.20 N ATOM 1284 CA PHE A 84 -12.077 29.671 -8.544 1.00 74.41 C ATOM 1285 C PHE A 84 -13.044 29.740 -7.365 1.00 33.43 C ATOM 1286 O PHE A 84 -14.256 29.613 -7.533 1.00 12.21 O ATOM 1287 CB PHE A 84 -11.905 28.217 -8.991 1.00 50.43 C ATOM 1288 CG PHE A 84 -10.774 28.019 -9.960 1.00 21.24 C ATOM 1289 CD1 PHE A 84 -10.717 28.745 -11.138 1.00 51.22 C ATOM 1290 CD2 PHE A 84 -9.767 27.105 -9.690 1.00 50.05 C ATOM 1291 CE1 PHE A 84 -9.677 28.564 -12.030 1.00 30.40 C ATOM 1292 CE2 PHE A 84 -8.725 26.920 -10.578 1.00 71.54 C ATOM 1293 CZ PHE A 84 -8.679 27.650 -11.750 1.00 11.13 C ATOM 0 H PHE A 84 -10.125 29.588 -7.784 1.00 21.20 H new ATOM 0 HA PHE A 84 -12.493 30.251 -9.368 1.00 74.41 H new ATOM 0 HB2 PHE A 84 -11.735 27.593 -8.114 1.00 50.43 H new ATOM 0 HB3 PHE A 84 -12.832 27.874 -9.451 1.00 50.43 H new ATOM 0 HD1 PHE A 84 -11.494 29.461 -11.362 1.00 51.22 H new ATOM 0 HD2 PHE A 84 -9.798 26.531 -8.775 1.00 50.05 H new ATOM 0 HE1 PHE A 84 -9.644 29.136 -12.945 1.00 30.40 H new ATOM 0 HE2 PHE A 84 -7.947 26.205 -10.356 1.00 71.54 H new ATOM 0 HZ PHE A 84 -7.865 27.507 -12.446 1.00 11.13 H new ATOM 1303 N GLY A 85 -12.497 29.942 -6.170 1.00 3.24 N ATOM 1304 CA GLY A 85 -13.323 30.024 -4.980 1.00 51.52 C ATOM 1305 C GLY A 85 -12.933 29.002 -3.932 1.00 2.43 C ATOM 1306 O GLY A 85 -11.797 28.528 -3.909 1.00 70.01 O ATOM 0 H GLY A 85 -11.496 30.050 -6.005 1.00 3.24 H new ATOM 0 HA2 GLY A 85 -13.243 31.024 -4.555 1.00 51.52 H new ATOM 0 HA3 GLY A 85 -14.367 29.877 -5.256 1.00 51.52 H new ATOM 1310 N TYR A 86 -13.875 28.662 -3.060 1.00 13.34 N ATOM 1311 CA TYR A 86 -13.623 27.692 -2.001 1.00 32.32 C ATOM 1312 C TYR A 86 -13.616 26.271 -2.554 1.00 72.31 C ATOM 1313 O TYR A 86 -14.592 25.821 -3.157 1.00 10.14 O ATOM 1314 CB TYR A 86 -14.681 27.818 -0.902 1.00 70.45 C ATOM 1315 CG TYR A 86 -14.635 29.138 -0.167 1.00 4.13 C ATOM 1316 CD1 TYR A 86 -13.520 29.502 0.580 1.00 63.34 C ATOM 1317 CD2 TYR A 86 -15.707 30.021 -0.216 1.00 5.13 C ATOM 1318 CE1 TYR A 86 -13.474 30.707 1.254 1.00 24.10 C ATOM 1319 CE2 TYR A 86 -15.669 31.229 0.455 1.00 25.20 C ATOM 1320 CZ TYR A 86 -14.550 31.567 1.188 1.00 71.43 C ATOM 1321 OH TYR A 86 -14.509 32.768 1.859 1.00 41.25 O ATOM 0 H TYR A 86 -14.821 29.044 -3.065 1.00 13.34 H new ATOM 0 HA TYR A 86 -12.641 27.903 -1.577 1.00 32.32 H new ATOM 0 HB2 TYR A 86 -15.669 27.692 -1.344 1.00 70.45 H new ATOM 0 HB3 TYR A 86 -14.547 27.008 -0.185 1.00 70.45 H new ATOM 0 HD1 TYR A 86 -12.675 28.831 0.634 1.00 63.34 H new ATOM 0 HD2 TYR A 86 -16.585 29.759 -0.788 1.00 5.13 H new ATOM 0 HE1 TYR A 86 -12.600 30.974 1.830 1.00 24.10 H new ATOM 0 HE2 TYR A 86 -16.510 31.904 0.406 1.00 25.20 H new ATOM 0 HH TYR A 86 -15.346 33.256 1.708 1.00 41.25 H new ATOM 1331 N HIS A 87 -12.508 25.566 -2.345 1.00 43.45 N ATOM 1332 CA HIS A 87 -12.373 24.195 -2.821 1.00 62.34 C ATOM 1333 C HIS A 87 -12.615 23.200 -1.691 1.00 14.22 C ATOM 1334 O HIS A 87 -11.978 23.274 -0.640 1.00 11.10 O ATOM 1335 CB HIS A 87 -10.983 23.975 -3.420 1.00 40.33 C ATOM 1336 CG HIS A 87 -10.782 24.664 -4.735 1.00 45.11 C ATOM 1337 ND1 HIS A 87 -10.986 24.043 -5.948 1.00 64.35 N ATOM 1338 CD2 HIS A 87 -10.393 25.928 -5.021 1.00 53.32 C ATOM 1339 CE1 HIS A 87 -10.730 24.895 -6.925 1.00 1.41 C ATOM 1340 NE2 HIS A 87 -10.369 26.048 -6.389 1.00 64.41 N ATOM 0 H HIS A 87 -11.691 25.922 -1.849 1.00 43.45 H new ATOM 0 HA HIS A 87 -13.124 24.030 -3.593 1.00 62.34 H new ATOM 0 HB2 HIS A 87 -10.232 24.330 -2.714 1.00 40.33 H new ATOM 0 HB3 HIS A 87 -10.818 22.906 -3.550 1.00 40.33 H new ATOM 0 HD1 HIS A 87 -11.288 23.077 -6.072 1.00 64.35 H new ATOM 0 HD2 HIS A 87 -10.147 26.699 -4.306 1.00 53.32 H new ATOM 0 HE1 HIS A 87 -10.803 24.685 -7.982 1.00 1.41 H new ATOM 1348 N ILE A 88 -13.540 22.272 -1.913 1.00 40.34 N ATOM 1349 CA ILE A 88 -13.866 21.263 -0.912 1.00 43.35 C ATOM 1350 C ILE A 88 -13.532 19.863 -1.414 1.00 42.25 C ATOM 1351 O ILE A 88 -14.381 19.179 -1.988 1.00 44.22 O ATOM 1352 CB ILE A 88 -15.355 21.316 -0.525 1.00 13.21 C ATOM 1353 CG1 ILE A 88 -15.692 22.667 0.110 1.00 72.21 C ATOM 1354 CG2 ILE A 88 -15.695 20.178 0.427 1.00 40.54 C ATOM 1355 CD1 ILE A 88 -14.945 22.933 1.398 1.00 34.14 C ATOM 0 H ILE A 88 -14.077 22.198 -2.777 1.00 40.34 H new ATOM 0 HA ILE A 88 -13.262 21.484 -0.032 1.00 43.35 H new ATOM 0 HB ILE A 88 -15.954 21.201 -1.428 1.00 13.21 H new ATOM 0 HG12 ILE A 88 -15.466 23.460 -0.602 1.00 72.21 H new ATOM 0 HG13 ILE A 88 -16.763 22.710 0.305 1.00 72.21 H new ATOM 0 HG21 ILE A 88 -16.751 20.228 0.692 1.00 40.54 H new ATOM 0 HG22 ILE A 88 -15.488 19.224 -0.058 1.00 40.54 H new ATOM 0 HG23 ILE A 88 -15.090 20.266 1.329 1.00 40.54 H new ATOM 0 HD11 ILE A 88 -15.234 23.908 1.791 1.00 34.14 H new ATOM 0 HD12 ILE A 88 -15.190 22.161 2.127 1.00 34.14 H new ATOM 0 HD13 ILE A 88 -13.872 22.923 1.205 1.00 34.14 H new ATOM 1367 N ILE A 89 -12.291 19.442 -1.195 1.00 4.10 N ATOM 1368 CA ILE A 89 -11.846 18.121 -1.622 1.00 11.51 C ATOM 1369 C ILE A 89 -12.219 17.056 -0.597 1.00 11.50 C ATOM 1370 O ILE A 89 -11.962 17.211 0.597 1.00 22.14 O ATOM 1371 CB ILE A 89 -10.323 18.087 -1.850 1.00 3.24 C ATOM 1372 CG1 ILE A 89 -9.878 19.306 -2.659 1.00 40.45 C ATOM 1373 CG2 ILE A 89 -9.922 16.800 -2.556 1.00 41.12 C ATOM 1374 CD1 ILE A 89 -9.157 20.350 -1.835 1.00 34.43 C ATOM 0 H ILE A 89 -11.576 19.996 -0.724 1.00 4.10 H new ATOM 0 HA ILE A 89 -12.352 17.907 -2.564 1.00 11.51 H new ATOM 0 HB ILE A 89 -9.825 18.117 -0.881 1.00 3.24 H new ATOM 0 HG12 ILE A 89 -9.224 18.977 -3.466 1.00 40.45 H new ATOM 0 HG13 ILE A 89 -10.752 19.762 -3.124 1.00 40.45 H new ATOM 0 HG21 ILE A 89 -8.843 16.791 -2.710 1.00 41.12 H new ATOM 0 HG22 ILE A 89 -10.209 15.945 -1.944 1.00 41.12 H new ATOM 0 HG23 ILE A 89 -10.427 16.742 -3.520 1.00 41.12 H new ATOM 0 HD11 ILE A 89 -8.871 21.185 -2.475 1.00 34.43 H new ATOM 0 HD12 ILE A 89 -9.816 20.708 -1.044 1.00 34.43 H new ATOM 0 HD13 ILE A 89 -8.263 19.910 -1.392 1.00 34.43 H new ATOM 1386 N LYS A 90 -12.827 15.974 -1.071 1.00 13.24 N ATOM 1387 CA LYS A 90 -13.234 14.880 -0.197 1.00 73.23 C ATOM 1388 C LYS A 90 -12.756 13.539 -0.744 1.00 62.05 C ATOM 1389 O LYS A 90 -13.113 13.150 -1.857 1.00 4.21 O ATOM 1390 CB LYS A 90 -14.757 14.866 -0.040 1.00 22.20 C ATOM 1391 CG LYS A 90 -15.264 13.754 0.862 1.00 75.41 C ATOM 1392 CD LYS A 90 -16.740 13.477 0.630 1.00 42.32 C ATOM 1393 CE LYS A 90 -17.137 12.101 1.141 1.00 24.33 C ATOM 1394 NZ LYS A 90 -18.606 11.878 1.052 1.00 11.22 N ATOM 0 H LYS A 90 -13.049 15.831 -2.056 1.00 13.24 H new ATOM 0 HA LYS A 90 -12.775 15.038 0.779 1.00 73.23 H new ATOM 0 HB2 LYS A 90 -15.081 15.826 0.362 1.00 22.20 H new ATOM 0 HB3 LYS A 90 -15.215 14.762 -1.024 1.00 22.20 H new ATOM 0 HG2 LYS A 90 -14.689 12.846 0.680 1.00 75.41 H new ATOM 0 HG3 LYS A 90 -15.104 14.029 1.905 1.00 75.41 H new ATOM 0 HD2 LYS A 90 -17.337 14.239 1.132 1.00 42.32 H new ATOM 0 HD3 LYS A 90 -16.961 13.548 -0.435 1.00 42.32 H new ATOM 0 HE2 LYS A 90 -16.618 11.336 0.564 1.00 24.33 H new ATOM 0 HE3 LYS A 90 -16.815 11.992 2.177 1.00 24.33 H new ATOM 0 HZ1 LYS A 90 -18.859 11.015 1.575 1.00 11.22 H new ATOM 0 HZ2 LYS A 90 -19.106 12.692 1.464 1.00 11.22 H new ATOM 0 HZ3 LYS A 90 -18.881 11.771 0.055 1.00 11.22 H new ATOM 1408 N ARG A 91 -11.949 12.838 0.043 1.00 21.23 N ATOM 1409 CA ARG A 91 -11.423 11.540 -0.364 1.00 23.24 C ATOM 1410 C ARG A 91 -12.529 10.490 -0.397 1.00 11.43 C ATOM 1411 O ARG A 91 -13.453 10.521 0.417 1.00 3.34 O ATOM 1412 CB ARG A 91 -10.312 11.095 0.590 1.00 44.35 C ATOM 1413 CG ARG A 91 -9.585 9.840 0.135 1.00 43.34 C ATOM 1414 CD ARG A 91 -8.154 9.807 0.648 1.00 20.11 C ATOM 1415 NE ARG A 91 -7.679 8.442 0.860 1.00 34.13 N ATOM 1416 CZ ARG A 91 -6.472 8.148 1.327 1.00 0.14 C ATOM 1417 NH1 ARG A 91 -5.620 9.118 1.630 1.00 13.54 N ATOM 1418 NH2 ARG A 91 -6.114 6.882 1.494 1.00 43.21 N ATOM 0 H ARG A 91 -11.644 13.146 0.966 1.00 21.23 H new ATOM 0 HA ARG A 91 -11.013 11.642 -1.369 1.00 23.24 H new ATOM 0 HB2 ARG A 91 -9.590 11.905 0.696 1.00 44.35 H new ATOM 0 HB3 ARG A 91 -10.741 10.919 1.577 1.00 44.35 H new ATOM 0 HG2 ARG A 91 -10.120 8.959 0.490 1.00 43.34 H new ATOM 0 HG3 ARG A 91 -9.583 9.794 -0.954 1.00 43.34 H new ATOM 0 HD2 ARG A 91 -7.502 10.311 -0.065 1.00 20.11 H new ATOM 0 HD3 ARG A 91 -8.092 10.362 1.584 1.00 20.11 H new ATOM 0 HE ARG A 91 -8.310 7.672 0.637 1.00 34.13 H new ATOM 0 HH11 ARG A 91 -5.892 10.093 1.504 1.00 13.54 H new ATOM 0 HH12 ARG A 91 -4.693 8.889 1.989 1.00 13.54 H new ATOM 0 HH21 ARG A 91 -6.767 6.133 1.263 1.00 43.21 H new ATOM 0 HH22 ARG A 91 -5.186 6.658 1.853 1.00 43.21 H new ATOM 1432 N PHE A 92 -12.430 9.562 -1.342 1.00 41.14 N ATOM 1433 CA PHE A 92 -13.423 8.504 -1.483 1.00 21.32 C ATOM 1434 C PHE A 92 -12.777 7.129 -1.337 1.00 55.34 C ATOM 1435 O PHE A 92 -13.400 6.187 -0.850 1.00 71.30 O ATOM 1436 CB PHE A 92 -14.124 8.611 -2.838 1.00 31.41 C ATOM 1437 CG PHE A 92 -15.331 9.505 -2.820 1.00 60.23 C ATOM 1438 CD1 PHE A 92 -15.224 10.827 -2.420 1.00 3.20 C ATOM 1439 CD2 PHE A 92 -16.572 9.024 -3.204 1.00 21.24 C ATOM 1440 CE1 PHE A 92 -16.331 11.653 -2.403 1.00 52.23 C ATOM 1441 CE2 PHE A 92 -17.684 9.845 -3.189 1.00 64.04 C ATOM 1442 CZ PHE A 92 -17.563 11.160 -2.787 1.00 55.41 C ATOM 0 H PHE A 92 -11.671 9.521 -2.022 1.00 41.14 H new ATOM 0 HA PHE A 92 -14.161 8.624 -0.690 1.00 21.32 H new ATOM 0 HB2 PHE A 92 -13.415 8.986 -3.576 1.00 31.41 H new ATOM 0 HB3 PHE A 92 -14.425 7.615 -3.162 1.00 31.41 H new ATOM 0 HD1 PHE A 92 -14.263 11.217 -2.118 1.00 3.20 H new ATOM 0 HD2 PHE A 92 -16.672 7.996 -3.519 1.00 21.24 H new ATOM 0 HE1 PHE A 92 -16.234 12.682 -2.090 1.00 52.23 H new ATOM 0 HE2 PHE A 92 -18.646 9.458 -3.491 1.00 64.04 H new ATOM 0 HZ PHE A 92 -18.431 11.803 -2.773 1.00 55.41 H new ATOM 1452 N GLY A 93 -11.523 7.023 -1.766 1.00 53.24 N ATOM 1453 CA GLY A 93 -10.813 5.760 -1.677 1.00 52.51 C ATOM 1454 C GLY A 93 -10.859 5.166 -0.283 1.00 42.40 C ATOM 1455 O GLY A 93 -11.084 3.967 -0.119 1.00 11.41 O ATOM 0 H GLY A 93 -10.986 7.789 -2.173 1.00 53.24 H new ATOM 0 HA2 GLY A 93 -11.246 5.053 -2.384 1.00 52.51 H new ATOM 0 HA3 GLY A 93 -9.774 5.909 -1.971 1.00 52.51 H new