USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -68:sc= -1.03 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.1: A 75 GLN : amide:sc= -0.717 K(o=-0.73,f=-2.2!) USER MOD Set 2.2: A 82 TYR OH : rot 15:sc=-0.00995 USER MOD Set 3.1: A 57 TYR OH : rot -114:sc= 0.489 USER MOD Set 3.2: A 70 ASN :FLIP amide:sc= 0.379 F(o=-0.18,f=0.87) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -104:sc= 1.06 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 0.138 (180deg=0.0122) USER MOD Single : A 27 GLN : amide:sc= -4.67! C(o=-4.7!,f=-5.5!) USER MOD Single : A 28 GLN : amide:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -120:sc= -0.503 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.831 K(o=-0.83,f=-2.9) USER MOD Single : A 54 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.55) USER MOD Single : A 56 MET CE :methyl -166:sc= -2.98 (180deg=-4.27!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -7.33! C(o=-7.3!,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.52 K(o=-1.5,f=-4!) USER MOD Single : A 83 CYS SG : rot 180:sc= -3.07 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 134:sc= -1.15 (180deg=-3.43!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.023 -1.705 -1.168 1.00 0.00 N ATOM 84 CA VAL A 9 -7.363 -0.827 -2.120 1.00 0.00 C ATOM 85 C VAL A 9 -6.036 -0.346 -1.529 1.00 0.00 C ATOM 86 O VAL A 9 -6.022 0.428 -0.573 1.00 0.00 O ATOM 87 CB VAL A 9 -8.296 0.323 -2.505 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.502 1.523 -3.025 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.334 -0.135 -3.533 1.00 0.00 C ATOM 0 HA VAL A 9 -7.134 -1.365 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.828 0.638 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.189 2.326 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.820 1.872 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.931 1.228 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.985 0.701 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.826 -0.489 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.931 -0.944 -3.112 1.00 0.00 H new ATOM 99 N ILE A 10 -4.953 -0.826 -2.122 1.00 0.00 N ATOM 100 CA ILE A 10 -3.624 -0.456 -1.666 1.00 0.00 C ATOM 101 C ILE A 10 -3.314 0.973 -2.119 1.00 0.00 C ATOM 102 O ILE A 10 -2.572 1.177 -3.078 1.00 0.00 O ATOM 103 CB ILE A 10 -2.592 -1.485 -2.131 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.875 -2.860 -1.521 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.169 -1.008 -1.832 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.005 -2.769 0.001 1.00 0.00 C ATOM 0 H ILE A 10 -4.969 -1.468 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.579 -0.463 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.677 -1.589 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.793 -3.267 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.071 -3.549 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.455 -1.758 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.984 -0.068 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.054 -0.858 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.206 -3.760 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.077 -2.384 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.825 -2.098 0.257 1.00 0.00 H new ATOM 118 N ARG A 11 -3.898 1.925 -1.406 1.00 0.00 N ATOM 119 CA ARG A 11 -3.694 3.328 -1.722 1.00 0.00 C ATOM 120 C ARG A 11 -2.203 3.670 -1.683 1.00 0.00 C ATOM 121 O ARG A 11 -1.663 3.983 -0.623 1.00 0.00 O ATOM 122 CB ARG A 11 -4.443 4.229 -0.739 1.00 0.00 C ATOM 123 CG ARG A 11 -5.941 3.915 -0.738 1.00 0.00 C ATOM 124 CD ARG A 11 -6.709 4.907 0.136 1.00 0.00 C ATOM 125 NE ARG A 11 -8.150 4.567 0.142 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.028 5.034 1.040 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.618 5.862 2.010 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.316 4.671 0.969 1.00 0.00 N ATOM 0 H ARG A 11 -4.512 1.752 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.084 3.502 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.039 4.093 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.287 5.274 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.324 3.951 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.103 2.901 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.318 4.887 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.568 5.920 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.496 3.938 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.637 6.137 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.287 6.217 2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.628 4.039 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.984 5.026 1.653 1.00 0.00 H new ATOM 142 N VAL A 12 -1.581 3.598 -2.850 1.00 0.00 N ATOM 143 CA VAL A 12 -0.163 3.896 -2.962 1.00 0.00 C ATOM 144 C VAL A 12 0.017 5.372 -3.320 1.00 0.00 C ATOM 145 O VAL A 12 -0.409 5.812 -4.387 1.00 0.00 O ATOM 146 CB VAL A 12 0.492 2.951 -3.972 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.951 3.341 -4.220 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.384 1.496 -3.511 1.00 0.00 C ATOM 0 H VAL A 12 -2.033 3.338 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 12 0.339 3.730 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.045 3.044 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.394 2.654 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.994 4.357 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.506 3.290 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.857 0.845 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.884 1.381 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.666 1.224 -3.408 1.00 0.00 H new ATOM 158 N PHE A 13 0.648 6.097 -2.408 1.00 0.00 N ATOM 159 CA PHE A 13 0.889 7.515 -2.615 1.00 0.00 C ATOM 160 C PHE A 13 2.096 7.738 -3.529 1.00 0.00 C ATOM 161 O PHE A 13 3.137 7.108 -3.353 1.00 0.00 O ATOM 162 CB PHE A 13 1.184 8.123 -1.243 1.00 0.00 C ATOM 163 CG PHE A 13 -0.066 8.428 -0.415 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.183 7.667 -0.565 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.060 9.461 0.470 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.343 7.949 0.204 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.221 9.743 1.238 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.338 8.982 1.089 1.00 0.00 C ATOM 0 H PHE A 13 1.000 5.729 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 13 0.021 7.976 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.820 7.438 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.750 9.044 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.188 6.848 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.827 10.066 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.229 7.343 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.217 10.563 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.221 9.198 1.673 1.00 0.00 H new ATOM 178 N ILE A 14 1.915 8.638 -4.485 1.00 0.00 N ATOM 179 CA ILE A 14 2.976 8.952 -5.427 1.00 0.00 C ATOM 180 C ILE A 14 3.011 10.463 -5.664 1.00 0.00 C ATOM 181 O ILE A 14 1.997 11.142 -5.510 1.00 0.00 O ATOM 182 CB ILE A 14 2.816 8.132 -6.708 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.566 8.560 -7.480 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.816 6.632 -6.403 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.939 9.188 -8.824 1.00 0.00 C ATOM 0 H ILE A 14 1.050 9.159 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 14 3.946 8.671 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 14 3.675 8.330 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.922 7.696 -7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.995 9.274 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.701 6.072 -7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.758 6.357 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.989 6.397 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.032 9.483 -9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.562 10.066 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.489 8.463 -9.424 1.00 0.00 H new ATOM 197 N ALA A 15 4.188 10.945 -6.034 1.00 0.00 N ATOM 198 CA ALA A 15 4.368 12.363 -6.294 1.00 0.00 C ATOM 199 C ALA A 15 5.040 12.547 -7.656 1.00 0.00 C ATOM 200 O ALA A 15 6.267 12.559 -7.750 1.00 0.00 O ATOM 201 CB ALA A 15 5.174 12.993 -5.157 1.00 0.00 C ATOM 0 H ALA A 15 5.027 10.379 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 15 3.404 12.871 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.309 14.057 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.640 12.862 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.149 12.510 -5.091 1.00 0.00 H new ATOM 207 N SER A 16 4.208 12.684 -8.678 1.00 0.00 N ATOM 208 CA SER A 16 4.707 12.866 -10.030 1.00 0.00 C ATOM 209 C SER A 16 5.943 13.767 -10.015 1.00 0.00 C ATOM 210 O SER A 16 7.012 13.368 -10.474 1.00 0.00 O ATOM 211 CB SER A 16 3.629 13.458 -10.940 1.00 0.00 C ATOM 212 OG SER A 16 4.182 14.315 -11.936 1.00 0.00 O ATOM 0 H SER A 16 3.191 12.673 -8.597 1.00 0.00 H new ATOM 0 HA SER A 16 4.983 11.889 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.078 12.650 -11.422 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.913 14.017 -10.338 1.00 0.00 H new ATOM 0 HG SER A 16 3.462 14.671 -12.497 1.00 0.00 H new ATOM 218 N SER A 17 5.755 14.966 -9.483 1.00 0.00 N ATOM 219 CA SER A 17 6.842 15.928 -9.403 1.00 0.00 C ATOM 220 C SER A 17 7.479 15.881 -8.013 1.00 0.00 C ATOM 221 O SER A 17 7.065 16.608 -7.111 1.00 0.00 O ATOM 222 CB SER A 17 6.349 17.343 -9.713 1.00 0.00 C ATOM 223 OG SER A 17 6.591 17.706 -11.070 1.00 0.00 O ATOM 0 H SER A 17 4.867 15.293 -9.103 1.00 0.00 H new ATOM 0 HA SER A 17 7.591 15.662 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.281 17.409 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.847 18.053 -9.053 1.00 0.00 H new ATOM 0 HG SER A 17 6.261 18.615 -11.229 1.00 0.00 H new ATOM 229 N SER A 18 8.477 15.019 -7.883 1.00 0.00 N ATOM 230 CA SER A 18 9.176 14.868 -6.618 1.00 0.00 C ATOM 231 C SER A 18 10.673 15.117 -6.815 1.00 0.00 C ATOM 232 O SER A 18 11.447 15.049 -5.861 1.00 0.00 O ATOM 233 CB SER A 18 8.943 13.477 -6.023 1.00 0.00 C ATOM 234 OG SER A 18 8.580 12.525 -7.018 1.00 0.00 O ATOM 0 H SER A 18 8.818 14.418 -8.633 1.00 0.00 H new ATOM 0 HA SER A 18 8.781 15.604 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.848 13.144 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.157 13.532 -5.270 1.00 0.00 H new ATOM 0 HG SER A 18 7.620 12.340 -6.958 1.00 0.00 H new ATOM 240 N GLY A 19 11.035 15.402 -8.057 1.00 0.00 N ATOM 241 CA GLY A 19 12.425 15.662 -8.390 1.00 0.00 C ATOM 242 C GLY A 19 13.235 14.364 -8.417 1.00 0.00 C ATOM 243 O GLY A 19 13.766 13.981 -9.459 1.00 0.00 O ATOM 0 H GLY A 19 10.390 15.459 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.484 16.152 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.855 16.348 -7.660 1.00 0.00 H new ATOM 247 N PHE A 20 13.303 13.723 -7.260 1.00 0.00 N ATOM 248 CA PHE A 20 14.039 12.476 -7.138 1.00 0.00 C ATOM 249 C PHE A 20 13.453 11.401 -8.057 1.00 0.00 C ATOM 250 O PHE A 20 12.421 10.810 -7.746 1.00 0.00 O ATOM 251 CB PHE A 20 13.903 12.017 -5.685 1.00 0.00 C ATOM 252 CG PHE A 20 14.612 12.924 -4.677 1.00 0.00 C ATOM 253 CD1 PHE A 20 15.930 13.218 -4.836 1.00 0.00 C ATOM 254 CD2 PHE A 20 13.923 13.436 -3.622 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.588 14.060 -3.900 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.581 14.278 -2.686 1.00 0.00 C ATOM 257 CZ PHE A 20 15.899 14.572 -2.845 1.00 0.00 C ATOM 0 H PHE A 20 12.861 14.043 -6.399 1.00 0.00 H new ATOM 0 HA PHE A 20 15.080 12.629 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.845 11.964 -5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.304 11.007 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.477 12.811 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.876 13.203 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.635 14.293 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.034 14.685 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.399 15.212 -2.133 1.00 0.00 H new ATOM 267 N VAL A 21 14.139 11.182 -9.169 1.00 0.00 N ATOM 268 CA VAL A 21 13.699 10.189 -10.135 1.00 0.00 C ATOM 269 C VAL A 21 13.788 8.798 -9.505 1.00 0.00 C ATOM 270 O VAL A 21 13.181 7.849 -10.000 1.00 0.00 O ATOM 271 CB VAL A 21 14.516 10.315 -11.423 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.957 9.850 -11.206 1.00 0.00 C ATOM 273 CG2 VAL A 21 13.856 9.543 -12.568 1.00 0.00 C ATOM 0 H VAL A 21 14.995 11.674 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 21 12.657 10.357 -10.408 1.00 0.00 H new ATOM 0 HB VAL A 21 14.543 11.369 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.516 9.950 -12.137 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.425 10.462 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.959 8.806 -10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.456 9.649 -13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.784 8.489 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.857 9.941 -12.747 1.00 0.00 H new ATOM 283 N ALA A 22 14.548 8.720 -8.423 1.00 0.00 N ATOM 284 CA ALA A 22 14.723 7.460 -7.721 1.00 0.00 C ATOM 285 C ALA A 22 13.427 7.103 -6.991 1.00 0.00 C ATOM 286 O ALA A 22 13.011 5.945 -6.988 1.00 0.00 O ATOM 287 CB ALA A 22 15.917 7.567 -6.770 1.00 0.00 C ATOM 0 H ALA A 22 15.050 9.509 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 22 14.937 6.656 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.048 6.622 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.818 7.793 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.737 8.363 -6.048 1.00 0.00 H new ATOM 293 N ILE A 23 12.824 8.119 -6.391 1.00 0.00 N ATOM 294 CA ILE A 23 11.584 7.926 -5.659 1.00 0.00 C ATOM 295 C ILE A 23 10.472 7.546 -6.640 1.00 0.00 C ATOM 296 O ILE A 23 9.586 6.762 -6.305 1.00 0.00 O ATOM 297 CB ILE A 23 11.263 9.161 -4.815 1.00 0.00 C ATOM 298 CG1 ILE A 23 12.255 9.308 -3.659 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.813 9.129 -4.326 1.00 0.00 C ATOM 300 CD1 ILE A 23 12.138 10.688 -3.008 1.00 0.00 C ATOM 0 H ILE A 23 13.171 9.078 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 23 11.683 7.102 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 23 11.371 10.043 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.069 8.534 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.271 9.160 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.611 10.018 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.140 9.107 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.654 8.239 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.854 10.766 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.349 11.459 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.128 10.823 -2.621 1.00 0.00 H new ATOM 312 N LYS A 24 10.557 8.120 -7.831 1.00 0.00 N ATOM 313 CA LYS A 24 9.569 7.851 -8.863 1.00 0.00 C ATOM 314 C LYS A 24 9.730 6.411 -9.354 1.00 0.00 C ATOM 315 O LYS A 24 8.754 5.770 -9.738 1.00 0.00 O ATOM 316 CB LYS A 24 9.661 8.895 -9.977 1.00 0.00 C ATOM 317 CG LYS A 24 9.722 8.226 -11.352 1.00 0.00 C ATOM 318 CD LYS A 24 9.326 9.207 -12.457 1.00 0.00 C ATOM 319 CE LYS A 24 10.507 9.489 -13.389 1.00 0.00 C ATOM 320 NZ LYS A 24 10.025 9.872 -14.735 1.00 0.00 N ATOM 0 H LYS A 24 11.294 8.770 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 24 8.561 7.939 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.798 9.559 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.547 9.512 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.730 7.854 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.056 7.363 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.495 8.798 -13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.978 10.140 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.122 10.288 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.140 8.605 -13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.839 10.060 -15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.458 9.097 -15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.440 10.729 -14.663 1.00 0.00 H new ATOM 334 N LYS A 25 10.970 5.945 -9.326 1.00 0.00 N ATOM 335 CA LYS A 25 11.272 4.593 -9.763 1.00 0.00 C ATOM 336 C LYS A 25 10.630 3.594 -8.798 1.00 0.00 C ATOM 337 O LYS A 25 9.940 2.669 -9.224 1.00 0.00 O ATOM 338 CB LYS A 25 12.782 4.407 -9.927 1.00 0.00 C ATOM 339 CG LYS A 25 13.256 4.940 -11.281 1.00 0.00 C ATOM 340 CD LYS A 25 13.717 3.797 -12.188 1.00 0.00 C ATOM 341 CE LYS A 25 15.119 4.067 -12.739 1.00 0.00 C ATOM 342 NZ LYS A 25 16.092 3.105 -12.174 1.00 0.00 N ATOM 0 H LYS A 25 11.778 6.480 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 25 10.843 4.406 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.305 4.926 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.033 3.350 -9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.447 5.489 -11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.075 5.644 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.716 2.861 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.015 3.677 -13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.110 3.988 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.422 5.085 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.038 3.302 -12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.112 3.199 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.810 2.137 -12.428 1.00 0.00 H new ATOM 356 N LYS A 26 10.881 3.815 -7.516 1.00 0.00 N ATOM 357 CA LYS A 26 10.337 2.945 -6.487 1.00 0.00 C ATOM 358 C LYS A 26 8.810 2.928 -6.595 1.00 0.00 C ATOM 359 O LYS A 26 8.191 1.868 -6.521 1.00 0.00 O ATOM 360 CB LYS A 26 10.851 3.361 -5.107 1.00 0.00 C ATOM 361 CG LYS A 26 12.377 3.275 -5.042 1.00 0.00 C ATOM 362 CD LYS A 26 12.920 4.054 -3.842 1.00 0.00 C ATOM 363 CE LYS A 26 14.411 3.780 -3.640 1.00 0.00 C ATOM 364 NZ LYS A 26 14.790 3.993 -2.226 1.00 0.00 N ATOM 0 H LYS A 26 11.453 4.583 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 26 10.679 1.921 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.531 4.380 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.414 2.718 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.683 2.231 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.807 3.671 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.760 5.121 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.370 3.774 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.642 2.756 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.998 4.436 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.818 4.139 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.297 4.831 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.522 3.159 -1.665 1.00 0.00 H new ATOM 378 N GLN A 27 8.248 4.115 -6.767 1.00 0.00 N ATOM 379 CA GLN A 27 6.806 4.250 -6.885 1.00 0.00 C ATOM 380 C GLN A 27 6.257 3.225 -7.880 1.00 0.00 C ATOM 381 O GLN A 27 5.181 2.668 -7.671 1.00 0.00 O ATOM 382 CB GLN A 27 6.420 5.673 -7.295 1.00 0.00 C ATOM 383 CG GLN A 27 6.552 6.638 -6.115 1.00 0.00 C ATOM 384 CD GLN A 27 6.654 8.086 -6.600 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.242 8.942 -5.959 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.052 8.311 -7.764 1.00 0.00 N ATOM 0 H GLN A 27 8.765 4.992 -6.828 1.00 0.00 H new ATOM 0 HA GLN A 27 6.361 4.055 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.058 6.005 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.395 5.683 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.691 6.531 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.436 6.384 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.578 7.549 -8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.065 9.246 -8.172 1.00 0.00 H new ATOM 395 N GLN A 28 7.022 3.008 -8.940 1.00 0.00 N ATOM 396 CA GLN A 28 6.626 2.060 -9.967 1.00 0.00 C ATOM 397 C GLN A 28 6.727 0.629 -9.436 1.00 0.00 C ATOM 398 O GLN A 28 5.766 -0.135 -9.512 1.00 0.00 O ATOM 399 CB GLN A 28 7.469 2.237 -11.231 1.00 0.00 C ATOM 400 CG GLN A 28 7.151 3.565 -11.921 1.00 0.00 C ATOM 401 CD GLN A 28 6.733 3.341 -13.376 1.00 0.00 C ATOM 402 OE1 GLN A 28 5.561 3.302 -13.712 1.00 0.00 O ATOM 403 NE2 GLN A 28 7.753 3.197 -14.216 1.00 0.00 N ATOM 0 H GLN A 28 7.914 3.473 -9.110 1.00 0.00 H new ATOM 0 HA GLN A 28 5.587 2.255 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.528 2.201 -10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.279 1.412 -11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.352 4.076 -11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.025 4.215 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.711 3.240 -13.868 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.578 3.043 -15.209 1.00 0.00 H new ATOM 412 N ASP A 29 7.900 0.308 -8.910 1.00 0.00 N ATOM 413 CA ASP A 29 8.140 -1.018 -8.366 1.00 0.00 C ATOM 414 C ASP A 29 6.898 -1.483 -7.603 1.00 0.00 C ATOM 415 O ASP A 29 6.575 -2.670 -7.602 1.00 0.00 O ATOM 416 CB ASP A 29 9.319 -1.008 -7.391 1.00 0.00 C ATOM 417 CG ASP A 29 10.173 -2.278 -7.397 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.573 -3.365 -7.537 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.407 -2.132 -7.261 1.00 0.00 O ATOM 0 H ASP A 29 8.695 0.944 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 29 8.365 -1.688 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.958 -0.157 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.936 -0.850 -6.383 1.00 0.00 H new ATOM 424 N VAL A 30 6.236 -0.524 -6.973 1.00 0.00 N ATOM 425 CA VAL A 30 5.037 -0.821 -6.208 1.00 0.00 C ATOM 426 C VAL A 30 3.919 -1.245 -7.163 1.00 0.00 C ATOM 427 O VAL A 30 3.742 -2.432 -7.429 1.00 0.00 O ATOM 428 CB VAL A 30 4.659 0.381 -5.340 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.316 0.153 -4.642 1.00 0.00 C ATOM 430 CG2 VAL A 30 5.759 0.692 -4.324 1.00 0.00 C ATOM 0 H VAL A 30 6.507 0.459 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 30 5.215 -1.653 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 30 4.554 1.246 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.071 1.022 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.538 0.004 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.382 -0.730 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.465 1.550 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.911 -0.172 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.686 0.919 -4.850 1.00 0.00 H new ATOM 440 N VAL A 31 3.195 -0.250 -7.653 1.00 0.00 N ATOM 441 CA VAL A 31 2.099 -0.504 -8.573 1.00 0.00 C ATOM 442 C VAL A 31 2.487 -1.642 -9.519 1.00 0.00 C ATOM 443 O VAL A 31 1.767 -2.633 -9.632 1.00 0.00 O ATOM 444 CB VAL A 31 1.724 0.784 -9.309 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.921 1.734 -9.396 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.165 0.477 -10.700 1.00 0.00 C ATOM 0 H VAL A 31 3.346 0.734 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 31 1.210 -0.822 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 31 0.942 1.282 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.628 2.642 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.256 1.991 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.733 1.247 -9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.906 1.409 -11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.916 -0.054 -11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.274 -0.143 -10.605 1.00 0.00 H new ATOM 456 N ARG A 32 3.625 -1.462 -10.174 1.00 0.00 N ATOM 457 CA ARG A 32 4.117 -2.462 -11.107 1.00 0.00 C ATOM 458 C ARG A 32 3.828 -3.869 -10.579 1.00 0.00 C ATOM 459 O ARG A 32 3.147 -4.654 -11.237 1.00 0.00 O ATOM 460 CB ARG A 32 5.622 -2.309 -11.334 1.00 0.00 C ATOM 461 CG ARG A 32 5.928 -1.059 -12.162 1.00 0.00 C ATOM 462 CD ARG A 32 6.242 -1.426 -13.614 1.00 0.00 C ATOM 463 NE ARG A 32 6.272 -0.205 -14.449 1.00 0.00 N ATOM 464 CZ ARG A 32 6.337 -0.212 -15.787 1.00 0.00 C ATOM 465 NH1 ARG A 32 6.380 -1.376 -16.450 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.360 0.945 -16.463 1.00 0.00 N ATOM 0 H ARG A 32 4.220 -0.639 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 32 3.601 -2.313 -12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.134 -2.247 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.008 -3.191 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.076 -0.380 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.774 -0.528 -11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.203 -1.938 -13.669 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.490 -2.118 -13.994 1.00 0.00 H new ATOM 0 HE ARG A 32 6.241 0.698 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.363 -2.257 -15.936 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.429 -1.381 -17.469 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.328 1.831 -15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.410 0.940 -17.482 1.00 0.00 H new ATOM 480 N PHE A 33 4.360 -4.143 -9.397 1.00 0.00 N ATOM 481 CA PHE A 33 4.167 -5.441 -8.774 1.00 0.00 C ATOM 482 C PHE A 33 2.679 -5.770 -8.639 1.00 0.00 C ATOM 483 O PHE A 33 2.247 -6.865 -8.993 1.00 0.00 O ATOM 484 CB PHE A 33 4.789 -5.364 -7.378 1.00 0.00 C ATOM 485 CG PHE A 33 4.831 -6.703 -6.640 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.694 -7.220 -6.102 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.007 -7.377 -6.522 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.734 -8.464 -5.417 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.046 -8.621 -5.837 1.00 0.00 C ATOM 490 CZ PHE A 33 4.909 -9.138 -5.300 1.00 0.00 C ATOM 0 H PHE A 33 4.924 -3.489 -8.855 1.00 0.00 H new ATOM 0 HA PHE A 33 4.629 -6.218 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.804 -4.977 -7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.225 -4.649 -6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.761 -6.685 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.910 -6.967 -6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.831 -8.874 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.979 -9.156 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.939 -10.084 -4.780 1.00 0.00 H new ATOM 500 N LEU A 34 1.936 -4.800 -8.125 1.00 0.00 N ATOM 501 CA LEU A 34 0.505 -4.973 -7.939 1.00 0.00 C ATOM 502 C LEU A 34 -0.146 -5.284 -9.288 1.00 0.00 C ATOM 503 O LEU A 34 -0.890 -6.256 -9.413 1.00 0.00 O ATOM 504 CB LEU A 34 -0.094 -3.754 -7.234 1.00 0.00 C ATOM 505 CG LEU A 34 0.607 -3.312 -5.948 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.257 -1.863 -5.602 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.293 -4.268 -4.795 1.00 0.00 C ATOM 0 H LEU A 34 2.298 -3.893 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 34 0.305 -5.822 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.091 -2.917 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.137 -3.970 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 34 1.683 -3.352 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.768 -1.574 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.573 -1.208 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.820 -1.773 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.804 -3.931 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.782 -4.284 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.634 -5.271 -5.051 1.00 0.00 H new ATOM 519 N GLU A 35 0.157 -4.440 -10.264 1.00 0.00 N ATOM 520 CA GLU A 35 -0.390 -4.613 -11.599 1.00 0.00 C ATOM 521 C GLU A 35 0.001 -5.982 -12.160 1.00 0.00 C ATOM 522 O GLU A 35 -0.849 -6.718 -12.660 1.00 0.00 O ATOM 523 CB GLU A 35 0.068 -3.488 -12.529 1.00 0.00 C ATOM 524 CG GLU A 35 -0.653 -2.179 -12.203 1.00 0.00 C ATOM 525 CD GLU A 35 -2.136 -2.263 -12.569 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.884 -2.870 -11.773 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.488 -1.719 -13.638 1.00 0.00 O ATOM 0 H GLU A 35 0.774 -3.635 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.477 -4.566 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.145 -3.348 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.126 -3.766 -13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.549 -1.957 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.187 -1.358 -12.747 1.00 0.00 H new ATOM 534 N ALA A 36 1.287 -6.282 -12.058 1.00 0.00 N ATOM 535 CA ALA A 36 1.801 -7.550 -12.548 1.00 0.00 C ATOM 536 C ALA A 36 1.192 -8.692 -11.733 1.00 0.00 C ATOM 537 O ALA A 36 1.148 -9.833 -12.193 1.00 0.00 O ATOM 538 CB ALA A 36 3.330 -7.540 -12.485 1.00 0.00 C ATOM 0 H ALA A 36 1.989 -5.669 -11.643 1.00 0.00 H new ATOM 0 HA ALA A 36 1.518 -7.701 -13.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.716 -8.491 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.714 -6.729 -13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.651 -7.393 -11.454 1.00 0.00 H new ATOM 544 N ASN A 37 0.736 -8.346 -10.538 1.00 0.00 N ATOM 545 CA ASN A 37 0.130 -9.329 -9.655 1.00 0.00 C ATOM 546 C ASN A 37 -1.393 -9.205 -9.730 1.00 0.00 C ATOM 547 O ASN A 37 -2.113 -9.955 -9.072 1.00 0.00 O ATOM 548 CB ASN A 37 0.553 -9.098 -8.203 1.00 0.00 C ATOM 549 CG ASN A 37 1.868 -9.816 -7.894 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.897 -10.923 -7.384 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.953 -9.124 -8.231 1.00 0.00 N ATOM 0 H ASN A 37 0.774 -7.399 -10.160 1.00 0.00 H new ATOM 0 HA ASN A 37 0.459 -10.318 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.666 -8.030 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.227 -9.456 -7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.880 -9.516 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.858 -8.201 -8.655 1.00 0.00 H new ATOM 558 N LYS A 38 -1.839 -8.254 -10.537 1.00 0.00 N ATOM 559 CA LYS A 38 -3.263 -8.023 -10.706 1.00 0.00 C ATOM 560 C LYS A 38 -3.883 -7.674 -9.352 1.00 0.00 C ATOM 561 O LYS A 38 -5.032 -8.020 -9.083 1.00 0.00 O ATOM 562 CB LYS A 38 -3.922 -9.220 -11.394 1.00 0.00 C ATOM 563 CG LYS A 38 -3.500 -9.310 -12.862 1.00 0.00 C ATOM 564 CD LYS A 38 -4.219 -8.256 -13.705 1.00 0.00 C ATOM 565 CE LYS A 38 -5.624 -8.724 -14.087 1.00 0.00 C ATOM 566 NZ LYS A 38 -5.846 -8.566 -15.542 1.00 0.00 N ATOM 0 H LYS A 38 -1.239 -7.634 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.435 -7.172 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.647 -10.139 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.006 -9.130 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.422 -9.172 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.724 -10.304 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.282 -7.321 -13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.642 -8.051 -14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.755 -9.769 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.368 -8.149 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.805 -8.888 -15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.742 -7.565 -15.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.148 -9.134 -16.063 1.00 0.00 H new ATOM 580 N ILE A 39 -3.095 -6.991 -8.534 1.00 0.00 N ATOM 581 CA ILE A 39 -3.552 -6.591 -7.214 1.00 0.00 C ATOM 582 C ILE A 39 -4.304 -5.263 -7.321 1.00 0.00 C ATOM 583 O ILE A 39 -4.018 -4.453 -8.201 1.00 0.00 O ATOM 584 CB ILE A 39 -2.382 -6.558 -6.229 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.901 -7.974 -5.902 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.747 -5.771 -4.969 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.527 -7.944 -5.228 1.00 0.00 C ATOM 0 H ILE A 39 -2.143 -6.705 -8.760 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.253 -7.324 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.551 -6.037 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.621 -8.464 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.849 -8.565 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.898 -5.763 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.003 -4.747 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.601 -6.241 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.208 -8.962 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.196 -7.475 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.589 -7.373 -4.301 1.00 0.00 H new ATOM 599 N GLU A 40 -5.250 -5.081 -6.411 1.00 0.00 N ATOM 600 CA GLU A 40 -6.045 -3.865 -6.392 1.00 0.00 C ATOM 601 C GLU A 40 -5.321 -2.770 -5.604 1.00 0.00 C ATOM 602 O GLU A 40 -4.778 -3.029 -4.532 1.00 0.00 O ATOM 603 CB GLU A 40 -7.436 -4.129 -5.812 1.00 0.00 C ATOM 604 CG GLU A 40 -7.410 -4.085 -4.283 1.00 0.00 C ATOM 605 CD GLU A 40 -8.419 -5.070 -3.689 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.630 -4.784 -3.810 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.957 -6.086 -3.127 1.00 0.00 O ATOM 0 H GLU A 40 -5.484 -5.755 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.174 -3.522 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.138 -3.385 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.794 -5.103 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.409 -4.325 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.637 -3.075 -3.941 1.00 0.00 H new ATOM 614 N PHE A 41 -5.338 -1.571 -6.168 1.00 0.00 N ATOM 615 CA PHE A 41 -4.690 -0.437 -5.532 1.00 0.00 C ATOM 616 C PHE A 41 -5.028 0.866 -6.260 1.00 0.00 C ATOM 617 O PHE A 41 -5.804 0.865 -7.214 1.00 0.00 O ATOM 618 CB PHE A 41 -3.182 -0.678 -5.616 1.00 0.00 C ATOM 619 CG PHE A 41 -2.605 -0.530 -7.025 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.160 0.682 -7.454 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.538 -1.609 -7.849 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.625 0.819 -8.762 1.00 0.00 C ATOM 623 CE2 PHE A 41 -2.003 -1.472 -9.157 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.557 -0.260 -9.586 1.00 0.00 C ATOM 0 H PHE A 41 -5.790 -1.361 -7.058 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.030 -0.345 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.675 0.022 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.964 -1.681 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.214 1.540 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.892 -2.571 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.272 1.781 -9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.950 -2.330 -9.811 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.149 -0.155 -10.581 1.00 0.00 H new ATOM 634 N GLU A 42 -4.427 1.946 -5.782 1.00 0.00 N ATOM 635 CA GLU A 42 -4.654 3.253 -6.376 1.00 0.00 C ATOM 636 C GLU A 42 -3.440 4.156 -6.151 1.00 0.00 C ATOM 637 O GLU A 42 -2.839 4.137 -5.078 1.00 0.00 O ATOM 638 CB GLU A 42 -5.926 3.895 -5.819 1.00 0.00 C ATOM 639 CG GLU A 42 -5.782 4.192 -4.325 1.00 0.00 C ATOM 640 CD GLU A 42 -6.909 5.105 -3.836 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.782 6.329 -4.054 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.871 4.557 -3.256 1.00 0.00 O ATOM 0 H GLU A 42 -3.783 1.943 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.792 3.124 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.138 4.818 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.774 3.230 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.795 3.259 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.818 4.665 -4.136 1.00 0.00 H new ATOM 649 N GLU A 43 -3.116 4.926 -7.179 1.00 0.00 N ATOM 650 CA GLU A 43 -1.985 5.835 -7.107 1.00 0.00 C ATOM 651 C GLU A 43 -2.435 7.202 -6.588 1.00 0.00 C ATOM 652 O GLU A 43 -2.811 8.074 -7.370 1.00 0.00 O ATOM 653 CB GLU A 43 -1.297 5.964 -8.467 1.00 0.00 C ATOM 654 CG GLU A 43 -0.421 4.744 -8.757 1.00 0.00 C ATOM 655 CD GLU A 43 -0.862 4.046 -10.045 1.00 0.00 C ATOM 656 OE1 GLU A 43 -2.042 3.635 -10.093 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.009 3.938 -10.952 1.00 0.00 O ATOM 0 H GLU A 43 -3.617 4.939 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.258 5.424 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.048 6.071 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.687 6.867 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.621 5.052 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.477 4.045 -7.923 1.00 0.00 H new ATOM 664 N VAL A 44 -2.381 7.347 -5.272 1.00 0.00 N ATOM 665 CA VAL A 44 -2.779 8.593 -4.639 1.00 0.00 C ATOM 666 C VAL A 44 -1.741 9.673 -4.953 1.00 0.00 C ATOM 667 O VAL A 44 -0.793 9.867 -4.193 1.00 0.00 O ATOM 668 CB VAL A 44 -2.981 8.377 -3.138 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.349 9.688 -2.440 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.038 7.302 -2.877 1.00 0.00 C ATOM 0 H VAL A 44 -2.068 6.622 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.735 8.935 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.037 8.028 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.487 9.506 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.549 10.414 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.274 10.079 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.163 7.168 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.987 7.610 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.719 6.361 -3.326 1.00 0.00 H new ATOM 680 N ASP A 45 -1.955 10.347 -6.073 1.00 0.00 N ATOM 681 CA ASP A 45 -1.050 11.402 -6.496 1.00 0.00 C ATOM 682 C ASP A 45 -1.019 12.500 -5.430 1.00 0.00 C ATOM 683 O ASP A 45 -1.859 13.399 -5.435 1.00 0.00 O ATOM 684 CB ASP A 45 -1.516 12.033 -7.810 1.00 0.00 C ATOM 685 CG ASP A 45 -0.546 13.048 -8.420 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.244 13.618 -7.637 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.618 13.230 -9.654 1.00 0.00 O ATOM 0 H ASP A 45 -2.742 10.183 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.062 10.963 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.690 11.238 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.474 12.525 -7.640 1.00 0.00 H new ATOM 692 N ILE A 46 -0.042 12.390 -4.542 1.00 0.00 N ATOM 693 CA ILE A 46 0.110 13.362 -3.473 1.00 0.00 C ATOM 694 C ILE A 46 0.578 14.694 -4.062 1.00 0.00 C ATOM 695 O ILE A 46 0.291 15.755 -3.511 1.00 0.00 O ATOM 696 CB ILE A 46 1.030 12.816 -2.379 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.493 12.844 -2.829 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.592 11.416 -1.942 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.381 12.067 -1.856 1.00 0.00 C ATOM 0 H ILE A 46 0.652 11.643 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.849 13.547 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 46 0.948 13.466 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.578 12.414 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.837 13.876 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.263 11.051 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.426 11.458 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.627 10.741 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.415 12.103 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.312 12.514 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.050 11.030 -1.810 1.00 0.00 H new ATOM 711 N THR A 47 1.291 14.594 -5.175 1.00 0.00 N ATOM 712 CA THR A 47 1.801 15.778 -5.845 1.00 0.00 C ATOM 713 C THR A 47 0.650 16.708 -6.235 1.00 0.00 C ATOM 714 O THR A 47 0.788 17.929 -6.180 1.00 0.00 O ATOM 715 CB THR A 47 2.643 15.320 -7.037 1.00 0.00 C ATOM 716 OG1 THR A 47 3.988 15.516 -6.608 1.00 0.00 O ATOM 717 CG2 THR A 47 2.499 16.246 -8.246 1.00 0.00 C ATOM 0 H THR A 47 1.527 13.712 -5.629 1.00 0.00 H new ATOM 0 HA THR A 47 2.439 16.363 -5.183 1.00 0.00 H new ATOM 0 HB THR A 47 2.353 14.308 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.436 16.145 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.117 15.875 -9.064 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.456 16.272 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.821 17.251 -7.975 1.00 0.00 H new ATOM 725 N MET A 48 -0.459 16.094 -6.621 1.00 0.00 N ATOM 726 CA MET A 48 -1.633 16.852 -7.020 1.00 0.00 C ATOM 727 C MET A 48 -2.535 17.140 -5.818 1.00 0.00 C ATOM 728 O MET A 48 -2.948 18.279 -5.606 1.00 0.00 O ATOM 729 CB MET A 48 -2.417 16.063 -8.070 1.00 0.00 C ATOM 730 CG MET A 48 -1.752 16.166 -9.444 1.00 0.00 C ATOM 731 SD MET A 48 -1.884 17.835 -10.061 1.00 0.00 S ATOM 732 CE MET A 48 -0.265 18.025 -10.790 1.00 0.00 C ATOM 0 H MET A 48 -0.569 15.081 -6.666 1.00 0.00 H new ATOM 0 HA MET A 48 -1.304 17.803 -7.438 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.481 15.017 -7.771 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.438 16.441 -8.127 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.703 15.878 -9.372 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.226 15.474 -10.140 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.177 19.020 -11.225 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.497 17.896 -10.022 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.126 17.275 -11.569 1.00 0.00 H new ATOM 742 N SER A 49 -2.813 16.088 -5.062 1.00 0.00 N ATOM 743 CA SER A 49 -3.658 16.213 -3.887 1.00 0.00 C ATOM 744 C SER A 49 -2.820 16.646 -2.683 1.00 0.00 C ATOM 745 O SER A 49 -2.207 15.813 -2.017 1.00 0.00 O ATOM 746 CB SER A 49 -4.381 14.898 -3.585 1.00 0.00 C ATOM 747 OG SER A 49 -5.797 15.060 -3.565 1.00 0.00 O ATOM 0 H SER A 49 -2.468 15.145 -5.241 1.00 0.00 H new ATOM 0 HA SER A 49 -4.413 16.973 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.112 14.155 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.046 14.513 -2.622 1.00 0.00 H new ATOM 0 HG SER A 49 -6.222 14.199 -3.371 1.00 0.00 H new ATOM 753 N GLU A 50 -2.819 17.948 -2.441 1.00 0.00 N ATOM 754 CA GLU A 50 -2.065 18.502 -1.328 1.00 0.00 C ATOM 755 C GLU A 50 -2.472 17.821 -0.020 1.00 0.00 C ATOM 756 O GLU A 50 -1.620 17.494 0.805 1.00 0.00 O ATOM 757 CB GLU A 50 -2.254 20.018 -1.239 1.00 0.00 C ATOM 758 CG GLU A 50 -1.391 20.613 -0.124 1.00 0.00 C ATOM 759 CD GLU A 50 -2.197 21.595 0.728 1.00 0.00 C ATOM 760 OE1 GLU A 50 -2.879 22.447 0.120 1.00 0.00 O ATOM 761 OE2 GLU A 50 -2.113 21.471 1.969 1.00 0.00 O ATOM 0 H GLU A 50 -3.328 18.636 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.006 18.310 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.991 20.478 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.303 20.247 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.003 19.813 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.531 21.123 -0.558 1.00 0.00 H new ATOM 768 N GLU A 51 -3.774 17.627 0.129 1.00 0.00 N ATOM 769 CA GLU A 51 -4.304 16.990 1.322 1.00 0.00 C ATOM 770 C GLU A 51 -3.676 15.608 1.511 1.00 0.00 C ATOM 771 O GLU A 51 -2.989 15.364 2.502 1.00 0.00 O ATOM 772 CB GLU A 51 -5.830 16.895 1.262 1.00 0.00 C ATOM 773 CG GLU A 51 -6.432 16.827 2.667 1.00 0.00 C ATOM 774 CD GLU A 51 -7.886 16.355 2.618 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.600 16.811 1.699 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.251 15.549 3.501 1.00 0.00 O ATOM 0 H GLU A 51 -4.478 17.900 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.045 17.606 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.231 17.759 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.121 16.011 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.846 16.147 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.380 17.809 3.137 1.00 0.00 H new ATOM 783 N GLN A 52 -3.933 14.739 0.544 1.00 0.00 N ATOM 784 CA GLN A 52 -3.401 13.388 0.591 1.00 0.00 C ATOM 785 C GLN A 52 -1.979 13.397 1.156 1.00 0.00 C ATOM 786 O GLN A 52 -1.692 12.708 2.134 1.00 0.00 O ATOM 787 CB GLN A 52 -3.436 12.737 -0.793 1.00 0.00 C ATOM 788 CG GLN A 52 -4.876 12.566 -1.282 1.00 0.00 C ATOM 789 CD GLN A 52 -5.496 11.284 -0.723 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.037 10.717 0.255 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.563 10.861 -1.396 1.00 0.00 N ATOM 0 H GLN A 52 -4.503 14.945 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.031 12.793 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.878 13.349 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.943 11.765 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.472 13.426 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.893 12.537 -2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.895 11.384 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.049 10.014 -1.101 1.00 0.00 H new ATOM 800 N ARG A 53 -1.127 14.184 0.517 1.00 0.00 N ATOM 801 CA ARG A 53 0.258 14.292 0.945 1.00 0.00 C ATOM 802 C ARG A 53 0.328 14.674 2.425 1.00 0.00 C ATOM 803 O ARG A 53 0.996 14.005 3.211 1.00 0.00 O ATOM 804 CB ARG A 53 1.010 15.337 0.119 1.00 0.00 C ATOM 805 CG ARG A 53 2.515 15.062 0.126 1.00 0.00 C ATOM 806 CD ARG A 53 3.197 15.717 -1.077 1.00 0.00 C ATOM 807 NE ARG A 53 4.360 14.905 -1.503 1.00 0.00 N ATOM 808 CZ ARG A 53 5.093 15.159 -2.595 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.789 16.203 -3.379 1.00 0.00 N ATOM 810 NH2 ARG A 53 6.131 14.369 -2.904 1.00 0.00 N ATOM 0 H ARG A 53 -1.368 14.753 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 53 0.728 13.320 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.640 15.330 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.817 16.332 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.954 15.442 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.692 13.987 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.489 15.812 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.522 16.725 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 53 4.619 14.102 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.999 16.804 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.347 16.396 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.363 13.575 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.689 14.562 -3.736 1.00 0.00 H new ATOM 824 N GLN A 54 -0.371 15.749 2.759 1.00 0.00 N ATOM 825 CA GLN A 54 -0.395 16.229 4.130 1.00 0.00 C ATOM 826 C GLN A 54 -0.785 15.096 5.082 1.00 0.00 C ATOM 827 O GLN A 54 -0.154 14.909 6.122 1.00 0.00 O ATOM 828 CB GLN A 54 -1.345 17.419 4.278 1.00 0.00 C ATOM 829 CG GLN A 54 -0.660 18.722 3.861 1.00 0.00 C ATOM 830 CD GLN A 54 0.644 18.928 4.636 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.676 18.944 5.855 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.714 19.084 3.861 1.00 0.00 N ATOM 0 H GLN A 54 -0.925 16.301 2.104 1.00 0.00 H new ATOM 0 HA GLN A 54 0.606 16.570 4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.233 17.259 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.680 17.495 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.452 18.702 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.330 19.563 4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.616 19.060 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.632 19.228 4.282 1.00 0.00 H new ATOM 841 N TRP A 55 -1.821 14.368 4.692 1.00 0.00 N ATOM 842 CA TRP A 55 -2.302 13.259 5.498 1.00 0.00 C ATOM 843 C TRP A 55 -1.118 12.331 5.779 1.00 0.00 C ATOM 844 O TRP A 55 -0.793 12.068 6.936 1.00 0.00 O ATOM 845 CB TRP A 55 -3.469 12.547 4.810 1.00 0.00 C ATOM 846 CG TRP A 55 -4.138 11.474 5.671 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.146 11.625 6.541 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.804 10.070 5.709 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.485 10.426 7.135 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.643 9.451 6.613 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.826 9.348 5.004 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.589 8.080 6.895 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.784 7.980 5.297 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.621 7.341 6.204 1.00 0.00 C ATOM 0 H TRP A 55 -2.341 14.525 3.828 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.698 13.616 6.449 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.216 13.288 4.525 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.109 12.087 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.632 12.566 6.751 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.218 10.282 7.829 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.159 9.812 4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.257 7.618 7.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.049 7.379 4.782 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.525 6.279 6.375 1.00 0.00 H new ATOM 865 N MET A 56 -0.506 11.861 4.702 1.00 0.00 N ATOM 866 CA MET A 56 0.635 10.969 4.819 1.00 0.00 C ATOM 867 C MET A 56 1.632 11.487 5.858 1.00 0.00 C ATOM 868 O MET A 56 2.010 10.762 6.776 1.00 0.00 O ATOM 869 CB MET A 56 1.329 10.847 3.461 1.00 0.00 C ATOM 870 CG MET A 56 2.526 9.898 3.541 1.00 0.00 C ATOM 871 SD MET A 56 4.027 10.830 3.797 1.00 0.00 S ATOM 872 CE MET A 56 4.216 11.563 2.180 1.00 0.00 C ATOM 0 H MET A 56 -0.779 12.081 3.744 1.00 0.00 H new ATOM 0 HA MET A 56 0.277 9.992 5.143 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.620 10.482 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.661 11.830 3.129 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.385 9.189 4.357 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.601 9.316 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.221 11.973 2.081 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.057 10.803 1.415 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.485 12.362 2.055 1.00 0.00 H new ATOM 882 N TYR A 57 2.029 12.738 5.677 1.00 0.00 N ATOM 883 CA TYR A 57 2.975 13.362 6.587 1.00 0.00 C ATOM 884 C TYR A 57 2.499 13.246 8.036 1.00 0.00 C ATOM 885 O TYR A 57 3.286 13.413 8.967 1.00 0.00 O ATOM 886 CB TYR A 57 3.025 14.840 6.195 1.00 0.00 C ATOM 887 CG TYR A 57 3.947 15.139 5.012 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.003 14.268 3.943 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.722 16.281 5.013 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.870 14.550 2.829 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.590 16.563 3.899 1.00 0.00 C ATOM 892 CZ TYR A 57 5.621 15.684 2.862 1.00 0.00 C ATOM 893 OH TYR A 57 6.441 15.950 1.809 1.00 0.00 O ATOM 0 H TYR A 57 1.713 13.336 4.914 1.00 0.00 H new ATOM 0 HA TYR A 57 3.950 12.879 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.017 15.175 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.354 15.423 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.396 13.375 3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.678 16.963 5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.923 13.877 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.202 17.452 3.887 1.00 0.00 H new ATOM 0 HH TYR A 57 7.375 15.913 2.104 1.00 0.00 H new ATOM 903 N LYS A 58 1.214 12.961 8.183 1.00 0.00 N ATOM 904 CA LYS A 58 0.624 12.820 9.503 1.00 0.00 C ATOM 905 C LYS A 58 0.555 11.337 9.872 1.00 0.00 C ATOM 906 O LYS A 58 0.457 10.990 11.047 1.00 0.00 O ATOM 907 CB LYS A 58 -0.729 13.532 9.564 1.00 0.00 C ATOM 908 CG LYS A 58 -0.596 14.998 9.147 1.00 0.00 C ATOM 909 CD LYS A 58 -1.347 15.914 10.116 1.00 0.00 C ATOM 910 CE LYS A 58 -1.616 17.280 9.482 1.00 0.00 C ATOM 911 NZ LYS A 58 -2.464 18.106 10.370 1.00 0.00 N ATOM 0 H LYS A 58 0.564 12.824 7.409 1.00 0.00 H new ATOM 0 HA LYS A 58 1.249 13.306 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.440 13.027 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.130 13.473 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.457 15.278 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.988 15.130 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.291 15.450 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.764 16.041 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.672 17.791 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.108 17.150 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.637 19.030 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.371 17.624 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.981 18.246 11.280 1.00 0.00 H new ATOM 925 N ASN A 59 0.611 10.502 8.845 1.00 0.00 N ATOM 926 CA ASN A 59 0.556 9.064 9.046 1.00 0.00 C ATOM 927 C ASN A 59 1.922 8.456 8.721 1.00 0.00 C ATOM 928 O ASN A 59 2.003 7.415 8.071 1.00 0.00 O ATOM 929 CB ASN A 59 -0.480 8.418 8.124 1.00 0.00 C ATOM 930 CG ASN A 59 -1.890 8.916 8.450 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.803 8.149 8.706 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.015 10.240 8.425 1.00 0.00 N ATOM 0 H ASN A 59 0.694 10.794 7.871 1.00 0.00 H new ATOM 0 HA ASN A 59 0.280 8.879 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.241 8.647 7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.440 7.334 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.917 10.671 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.209 10.824 8.203 1.00 0.00 H new ATOM 939 N VAL A 60 2.961 9.131 9.188 1.00 0.00 N ATOM 940 CA VAL A 60 4.319 8.671 8.956 1.00 0.00 C ATOM 941 C VAL A 60 5.236 9.228 10.047 1.00 0.00 C ATOM 942 O VAL A 60 5.424 10.440 10.145 1.00 0.00 O ATOM 943 CB VAL A 60 4.768 9.054 7.544 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.247 8.726 7.331 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.896 8.372 6.488 1.00 0.00 C ATOM 0 H VAL A 60 2.890 9.994 9.727 1.00 0.00 H new ATOM 0 HA VAL A 60 4.368 7.584 9.014 1.00 0.00 H new ATOM 0 HB VAL A 60 4.646 10.131 7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.540 9.008 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.850 9.279 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.406 7.657 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.236 8.661 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.971 7.290 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.858 8.678 6.620 1.00 0.00 H new ATOM 955 N PRO A 61 5.797 8.293 10.859 1.00 0.00 N ATOM 956 CA PRO A 61 6.690 8.679 11.939 1.00 0.00 C ATOM 957 C PRO A 61 8.063 9.082 11.398 1.00 0.00 C ATOM 958 O PRO A 61 8.343 8.907 10.213 1.00 0.00 O ATOM 959 CB PRO A 61 6.746 7.467 12.855 1.00 0.00 C ATOM 960 CG PRO A 61 6.258 6.293 12.023 1.00 0.00 C ATOM 961 CD PRO A 61 5.598 6.850 10.772 1.00 0.00 C ATOM 0 HA PRO A 61 6.339 9.557 12.482 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.761 7.296 13.215 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.117 7.612 13.733 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.090 5.641 11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.550 5.690 12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.052 6.441 9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.538 6.598 10.738 1.00 0.00 H new ATOM 969 N PRO A 62 8.905 9.629 12.315 1.00 0.00 N ATOM 970 CA PRO A 62 10.241 10.059 11.942 1.00 0.00 C ATOM 971 C PRO A 62 11.171 8.859 11.754 1.00 0.00 C ATOM 972 O PRO A 62 12.111 8.915 10.963 1.00 0.00 O ATOM 973 CB PRO A 62 10.685 10.984 13.064 1.00 0.00 C ATOM 974 CG PRO A 62 9.777 10.674 14.243 1.00 0.00 C ATOM 975 CD PRO A 62 8.607 9.852 13.727 1.00 0.00 C ATOM 0 HA PRO A 62 10.263 10.578 10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.730 10.813 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.596 12.029 12.767 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.322 10.123 15.010 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.422 11.596 14.704 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.517 8.909 14.266 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.664 10.383 13.854 1.00 0.00 H new ATOM 983 N GLU A 63 10.876 7.801 12.495 1.00 0.00 N ATOM 984 CA GLU A 63 11.674 6.589 12.421 1.00 0.00 C ATOM 985 C GLU A 63 11.515 5.933 11.048 1.00 0.00 C ATOM 986 O GLU A 63 12.460 5.347 10.522 1.00 0.00 O ATOM 987 CB GLU A 63 11.298 5.615 13.540 1.00 0.00 C ATOM 988 CG GLU A 63 10.160 4.691 13.104 1.00 0.00 C ATOM 989 CD GLU A 63 9.538 3.981 14.308 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.402 4.652 15.354 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.213 2.784 14.156 1.00 0.00 O ATOM 0 H GLU A 63 10.095 7.758 13.150 1.00 0.00 H new ATOM 0 HA GLU A 63 12.722 6.858 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.168 5.020 13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.998 6.173 14.427 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.396 5.269 12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.537 3.952 12.397 1.00 0.00 H new ATOM 998 N LYS A 64 10.312 6.053 10.505 1.00 0.00 N ATOM 999 CA LYS A 64 10.017 5.479 9.204 1.00 0.00 C ATOM 1000 C LYS A 64 10.489 6.438 8.109 1.00 0.00 C ATOM 1001 O LYS A 64 10.951 6.004 7.055 1.00 0.00 O ATOM 1002 CB LYS A 64 8.535 5.112 9.103 1.00 0.00 C ATOM 1003 CG LYS A 64 8.176 4.002 10.093 1.00 0.00 C ATOM 1004 CD LYS A 64 8.883 2.695 9.731 1.00 0.00 C ATOM 1005 CE LYS A 64 8.138 1.490 10.309 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.059 0.638 11.092 1.00 0.00 N ATOM 0 H LYS A 64 9.530 6.540 10.943 1.00 0.00 H new ATOM 0 HA LYS A 64 10.563 4.545 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.924 5.993 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.306 4.787 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.457 4.304 11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.097 3.847 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.948 2.601 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.904 2.712 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.320 1.831 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.693 0.908 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.537 -0.175 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.825 0.298 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.464 1.191 11.874 1.00 0.00 H new ATOM 1020 N LYS A 65 10.356 7.725 8.397 1.00 0.00 N ATOM 1021 CA LYS A 65 10.763 8.749 7.450 1.00 0.00 C ATOM 1022 C LYS A 65 12.076 8.331 6.786 1.00 0.00 C ATOM 1023 O LYS A 65 13.002 7.883 7.460 1.00 0.00 O ATOM 1024 CB LYS A 65 10.828 10.116 8.135 1.00 0.00 C ATOM 1025 CG LYS A 65 9.477 10.829 8.066 1.00 0.00 C ATOM 1026 CD LYS A 65 9.502 12.131 8.869 1.00 0.00 C ATOM 1027 CE LYS A 65 8.187 12.337 9.623 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.142 13.686 10.229 1.00 0.00 N ATOM 0 H LYS A 65 9.972 8.081 9.272 1.00 0.00 H new ATOM 0 HA LYS A 65 10.023 8.850 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.124 9.991 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.592 10.730 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.228 11.043 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.696 10.174 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.331 12.110 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.676 12.972 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.346 12.210 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.084 11.579 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.243 13.809 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.933 13.794 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.218 14.405 9.482 1.00 0.00 H new ATOM 1042 N PRO A 66 12.115 8.495 5.436 1.00 0.00 N ATOM 1043 CA PRO A 66 13.300 8.139 4.673 1.00 0.00 C ATOM 1044 C PRO A 66 14.408 9.176 4.867 1.00 0.00 C ATOM 1045 O PRO A 66 15.311 8.980 5.679 1.00 0.00 O ATOM 1046 CB PRO A 66 12.824 8.040 3.233 1.00 0.00 C ATOM 1047 CG PRO A 66 11.505 8.793 3.176 1.00 0.00 C ATOM 1048 CD PRO A 66 11.037 9.022 4.604 1.00 0.00 C ATOM 0 HA PRO A 66 13.744 7.198 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.553 8.477 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.693 7.000 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.630 9.744 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.763 8.222 2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.867 10.081 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.097 8.506 4.800 1.00 0.00 H new ATOM 1094 N ASN A 70 10.879 15.734 5.937 1.00 0.00 N ATOM 1095 CA ASN A 70 9.528 15.260 5.689 1.00 0.00 C ATOM 1096 C ASN A 70 9.589 13.906 4.978 1.00 0.00 C ATOM 1097 O ASN A 70 10.600 13.569 4.364 1.00 0.00 O ATOM 1098 CB ASN A 70 8.760 16.231 4.790 1.00 0.00 C ATOM 1099 CG ASN A 70 9.604 16.644 3.582 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.356 15.939 2.482 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 10.425 17.544 3.645 1.00 0.00 N flip ATOM 0 HA ASN A 70 9.019 15.177 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.836 15.764 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.478 17.116 5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.566 18.045 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.971 17.795 2.821 1.00 0.00 H new ATOM 1108 N PRO A 71 8.466 13.148 5.088 1.00 0.00 N ATOM 1109 CA PRO A 71 8.382 11.839 4.463 1.00 0.00 C ATOM 1110 C PRO A 71 8.191 11.964 2.951 1.00 0.00 C ATOM 1111 O PRO A 71 7.517 12.879 2.480 1.00 0.00 O ATOM 1112 CB PRO A 71 7.218 11.147 5.154 1.00 0.00 C ATOM 1113 CG PRO A 71 6.404 12.253 5.806 1.00 0.00 C ATOM 1114 CD PRO A 71 7.249 13.516 5.807 1.00 0.00 C ATOM 0 HA PRO A 71 9.298 11.259 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.615 10.588 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.573 10.433 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.475 12.416 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.131 11.976 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.731 14.339 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.472 13.842 6.823 1.00 0.00 H new ATOM 1122 N LEU A 72 8.797 11.031 2.231 1.00 0.00 N ATOM 1123 CA LEU A 72 8.702 11.026 0.781 1.00 0.00 C ATOM 1124 C LEU A 72 8.146 9.679 0.315 1.00 0.00 C ATOM 1125 O LEU A 72 8.223 8.688 1.040 1.00 0.00 O ATOM 1126 CB LEU A 72 10.051 11.384 0.154 1.00 0.00 C ATOM 1127 CG LEU A 72 10.594 12.777 0.481 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.063 12.903 0.071 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.726 13.866 -0.153 1.00 0.00 C ATOM 0 H LEU A 72 9.355 10.274 2.625 1.00 0.00 H new ATOM 0 HA LEU A 72 8.006 11.793 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.786 10.645 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.961 11.296 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 72 10.548 12.917 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.424 13.902 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.655 12.162 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.157 12.734 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.133 14.846 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.717 13.740 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.708 13.789 0.230 1.00 0.00 H new ATOM 1141 N PRO A 73 7.585 9.685 -0.923 1.00 0.00 N ATOM 1142 CA PRO A 73 7.016 8.476 -1.494 1.00 0.00 C ATOM 1143 C PRO A 73 8.116 7.520 -1.960 1.00 0.00 C ATOM 1144 O PRO A 73 9.285 7.897 -2.023 1.00 0.00 O ATOM 1145 CB PRO A 73 6.127 8.957 -2.629 1.00 0.00 C ATOM 1146 CG PRO A 73 6.588 10.370 -2.950 1.00 0.00 C ATOM 1147 CD PRO A 73 7.476 10.840 -1.810 1.00 0.00 C ATOM 0 HA PRO A 73 6.438 7.901 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.221 8.308 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.078 8.946 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.135 10.388 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.731 11.034 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.455 11.153 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.039 11.695 -1.294 1.00 0.00 H new ATOM 1155 N PRO A 74 7.691 6.270 -2.284 1.00 0.00 N ATOM 1156 CA PRO A 74 6.288 5.906 -2.181 1.00 0.00 C ATOM 1157 C PRO A 74 5.879 5.704 -0.721 1.00 0.00 C ATOM 1158 O PRO A 74 6.729 5.481 0.140 1.00 0.00 O ATOM 1159 CB PRO A 74 6.147 4.644 -3.017 1.00 0.00 C ATOM 1160 CG PRO A 74 7.553 4.089 -3.175 1.00 0.00 C ATOM 1161 CD PRO A 74 8.532 5.173 -2.754 1.00 0.00 C ATOM 0 HA PRO A 74 5.623 6.688 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.495 3.921 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.703 4.866 -3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.683 3.198 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.733 3.793 -4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.199 4.820 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.160 5.485 -3.588 1.00 0.00 H new ATOM 1169 N GLN A 75 4.578 5.790 -0.487 1.00 0.00 N ATOM 1170 CA GLN A 75 4.046 5.620 0.855 1.00 0.00 C ATOM 1171 C GLN A 75 2.798 4.735 0.822 1.00 0.00 C ATOM 1172 O GLN A 75 1.679 5.228 0.954 1.00 0.00 O ATOM 1173 CB GLN A 75 3.742 6.973 1.500 1.00 0.00 C ATOM 1174 CG GLN A 75 5.017 7.622 2.041 1.00 0.00 C ATOM 1175 CD GLN A 75 5.395 7.035 3.403 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.564 6.543 4.148 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.692 7.115 3.685 1.00 0.00 N ATOM 0 H GLN A 75 3.876 5.975 -1.204 1.00 0.00 H new ATOM 0 HA GLN A 75 4.802 5.126 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.277 7.633 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.025 6.841 2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.834 7.470 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.871 8.698 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.334 7.540 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.045 6.752 4.570 1.00 0.00 H new ATOM 1186 N ILE A 76 3.033 3.443 0.647 1.00 0.00 N ATOM 1187 CA ILE A 76 1.942 2.484 0.596 1.00 0.00 C ATOM 1188 C ILE A 76 1.029 2.692 1.806 1.00 0.00 C ATOM 1189 O ILE A 76 1.507 2.867 2.926 1.00 0.00 O ATOM 1190 CB ILE A 76 2.485 1.059 0.473 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.194 0.857 -0.868 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.377 0.029 0.697 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.695 0.639 -0.667 1.00 0.00 C ATOM 0 H ILE A 76 3.963 3.038 0.539 1.00 0.00 H new ATOM 0 HA ILE A 76 1.334 2.646 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 76 3.228 0.907 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.764 -0.001 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.031 1.727 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.790 -0.976 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.957 0.158 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.594 0.170 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.175 0.498 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.126 1.509 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.855 -0.246 -0.051 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.269 2.666 1.540 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.252 2.849 2.594 1.00 0.00 C ATOM 1207 C PHE A 77 -2.517 2.036 2.310 1.00 0.00 C ATOM 1208 O PHE A 77 -3.287 2.371 1.411 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.611 4.336 2.617 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.681 5.187 3.484 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.606 4.963 4.823 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.070 6.168 2.915 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.257 5.753 5.628 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.933 6.958 3.720 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.009 6.734 5.059 1.00 0.00 C ATOM 0 H PHE A 77 -0.662 2.521 0.610 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.843 2.514 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.592 4.720 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.633 4.447 2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.203 4.184 5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.010 6.346 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.316 5.575 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.529 7.737 3.268 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.666 7.334 5.671 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.693 0.982 3.095 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.851 0.119 2.939 1.00 0.00 C ATOM 1227 C ASN A 78 -5.025 0.700 3.730 1.00 0.00 C ATOM 1228 O ASN A 78 -5.103 0.533 4.946 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.567 -1.285 3.478 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.744 -2.225 3.206 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.883 -1.949 3.544 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.406 -3.347 2.578 1.00 0.00 N ATOM 0 H ASN A 78 -2.053 0.707 3.840 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.086 0.058 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.665 -1.682 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.377 -1.235 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.120 -4.039 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.433 -3.516 2.323 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.909 1.371 3.007 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.075 1.979 3.625 1.00 0.00 C ATOM 1241 C GLY A 79 -6.677 3.177 4.488 1.00 0.00 C ATOM 1242 O GLY A 79 -6.621 4.306 4.002 1.00 0.00 O ATOM 0 H GLY A 79 -5.841 1.507 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.775 2.299 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.592 1.241 4.238 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.410 2.892 5.754 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.018 3.932 6.689 1.00 0.00 C ATOM 1248 C ASP A 80 -4.902 3.406 7.593 1.00 0.00 C ATOM 1249 O ASP A 80 -4.599 4.004 8.625 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.193 4.343 7.580 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.800 3.212 8.412 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.506 2.043 8.081 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.544 3.542 9.361 1.00 0.00 O ATOM 0 H ASP A 80 -6.458 1.955 6.154 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.683 4.794 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.859 5.131 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.974 4.771 6.951 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.319 2.292 7.173 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.243 1.678 7.931 1.00 0.00 C ATOM 1260 C ARG A 81 -1.918 1.816 7.179 1.00 0.00 C ATOM 1261 O ARG A 81 -1.795 1.363 6.042 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.524 0.196 8.187 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.497 -0.117 9.684 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.829 -1.588 9.943 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.629 -1.716 11.181 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.158 -1.458 12.409 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -2.890 -1.056 12.570 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -4.956 -1.602 13.476 1.00 0.00 N ATOM 0 H ARG A 81 -4.572 1.799 6.317 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.177 2.194 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.497 -0.070 7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.782 -0.413 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.512 0.114 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.213 0.518 10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.383 -1.999 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.910 -2.166 10.033 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.599 -2.019 11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.283 -0.946 11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.532 -0.860 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.921 -1.908 13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.598 -1.406 14.411 1.00 0.00 H new ATOM 1282 N TYR A 82 -0.959 2.444 7.844 1.00 0.00 N ATOM 1283 CA TYR A 82 0.353 2.647 7.253 1.00 0.00 C ATOM 1284 C TYR A 82 1.046 1.310 6.984 1.00 0.00 C ATOM 1285 O TYR A 82 1.411 0.597 7.917 1.00 0.00 O ATOM 1286 CB TYR A 82 1.165 3.430 8.286 1.00 0.00 C ATOM 1287 CG TYR A 82 2.559 3.835 7.805 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.820 3.937 6.453 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.556 4.098 8.722 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.133 4.318 6.000 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.869 4.479 8.269 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.093 4.570 6.931 1.00 0.00 C ATOM 1293 OH TYR A 82 6.332 4.930 6.503 1.00 0.00 O ATOM 0 H TYR A 82 -1.065 2.819 8.787 1.00 0.00 H new ATOM 0 HA TYR A 82 0.268 3.173 6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.612 4.328 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.264 2.826 9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.040 3.731 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.352 4.018 9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.351 4.402 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.658 4.688 8.976 1.00 0.00 H new ATOM 0 HH TYR A 82 6.290 5.186 5.558 1.00 0.00 H new ATOM 1303 N CYS A 83 1.207 1.011 5.703 1.00 0.00 N ATOM 1304 CA CYS A 83 1.850 -0.228 5.299 1.00 0.00 C ATOM 1305 C CYS A 83 3.359 -0.076 5.508 1.00 0.00 C ATOM 1306 O CYS A 83 3.931 -0.698 6.402 1.00 0.00 O ATOM 1307 CB CYS A 83 1.509 -0.598 3.855 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.227 -1.168 3.749 1.00 0.00 S ATOM 0 H CYS A 83 0.903 1.605 4.932 1.00 0.00 H new ATOM 0 HA CYS A 83 1.479 -1.050 5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.658 0.264 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.180 -1.382 3.503 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.508 -1.478 2.518 1.00 0.00 H new ATOM 1314 N GLY A 84 3.960 0.753 4.668 1.00 0.00 N ATOM 1315 CA GLY A 84 5.390 0.994 4.749 1.00 0.00 C ATOM 1316 C GLY A 84 5.915 1.619 3.455 1.00 0.00 C ATOM 1317 O GLY A 84 5.248 1.570 2.422 1.00 0.00 O ATOM 0 H GLY A 84 3.482 1.267 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.604 1.655 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.910 0.056 4.941 1.00 0.00 H new ATOM 1321 N ASP A 85 7.106 2.191 3.552 1.00 0.00 N ATOM 1322 CA ASP A 85 7.729 2.824 2.402 1.00 0.00 C ATOM 1323 C ASP A 85 8.330 1.747 1.496 1.00 0.00 C ATOM 1324 O ASP A 85 8.242 0.558 1.796 1.00 0.00 O ATOM 1325 CB ASP A 85 8.857 3.762 2.833 1.00 0.00 C ATOM 1326 CG ASP A 85 10.055 3.074 3.490 1.00 0.00 C ATOM 1327 OD1 ASP A 85 10.085 1.825 3.448 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.915 3.812 4.018 1.00 0.00 O ATOM 0 H ASP A 85 7.656 2.229 4.410 1.00 0.00 H new ATOM 0 HA ASP A 85 6.964 3.397 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.207 4.311 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.452 4.497 3.529 1.00 0.00 H new ATOM 1333 N TYR A 86 8.927 2.204 0.404 1.00 0.00 N ATOM 1334 CA TYR A 86 9.542 1.294 -0.548 1.00 0.00 C ATOM 1335 C TYR A 86 10.497 0.328 0.156 1.00 0.00 C ATOM 1336 O TYR A 86 10.672 -0.807 -0.284 1.00 0.00 O ATOM 1337 CB TYR A 86 10.342 2.172 -1.512 1.00 0.00 C ATOM 1338 CG TYR A 86 11.348 1.399 -2.368 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.906 0.620 -3.417 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.697 1.481 -2.090 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.852 -0.108 -4.223 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.644 0.754 -2.895 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.174 -0.005 -3.922 1.00 0.00 C ATOM 1344 OH TYR A 86 14.068 -0.692 -4.683 1.00 0.00 O ATOM 0 H TYR A 86 8.998 3.191 0.158 1.00 0.00 H new ATOM 0 HA TYR A 86 8.784 0.698 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.649 2.697 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.875 2.931 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.850 0.556 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.043 2.091 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.519 -0.721 -5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.703 0.810 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 86 14.975 -0.524 -4.354 1.00 0.00 H new ATOM 1354 N ASP A 87 11.089 0.813 1.237 1.00 0.00 N ATOM 1355 CA ASP A 87 12.021 0.006 2.005 1.00 0.00 C ATOM 1356 C ASP A 87 11.307 -1.249 2.511 1.00 0.00 C ATOM 1357 O ASP A 87 11.830 -2.355 2.394 1.00 0.00 O ATOM 1358 CB ASP A 87 12.543 0.775 3.221 1.00 0.00 C ATOM 1359 CG ASP A 87 14.015 0.529 3.559 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.864 1.005 2.775 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.257 -0.129 4.593 1.00 0.00 O ATOM 0 H ASP A 87 10.941 1.755 1.599 1.00 0.00 H new ATOM 0 HA ASP A 87 12.857 -0.253 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.399 1.841 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.938 0.509 4.087 1.00 0.00 H new ATOM 1366 N SER A 88 10.122 -1.034 3.063 1.00 0.00 N ATOM 1367 CA SER A 88 9.330 -2.134 3.587 1.00 0.00 C ATOM 1368 C SER A 88 8.985 -3.112 2.463 1.00 0.00 C ATOM 1369 O SER A 88 9.312 -4.295 2.543 1.00 0.00 O ATOM 1370 CB SER A 88 8.053 -1.623 4.257 1.00 0.00 C ATOM 1371 OG SER A 88 8.323 -0.974 5.496 1.00 0.00 O ATOM 0 H SER A 88 9.691 -0.114 3.159 1.00 0.00 H new ATOM 0 HA SER A 88 9.921 -2.652 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.545 -0.929 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.373 -2.458 4.426 1.00 0.00 H new ATOM 0 HG SER A 88 7.505 -0.946 6.036 1.00 0.00 H new ATOM 1377 N PHE A 89 8.328 -2.582 1.441 1.00 0.00 N ATOM 1378 CA PHE A 89 7.935 -3.394 0.302 1.00 0.00 C ATOM 1379 C PHE A 89 9.074 -4.321 -0.130 1.00 0.00 C ATOM 1380 O PHE A 89 8.896 -5.535 -0.205 1.00 0.00 O ATOM 1381 CB PHE A 89 7.614 -2.432 -0.843 1.00 0.00 C ATOM 1382 CG PHE A 89 7.163 -3.125 -2.131 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.897 -3.609 -2.235 1.00 0.00 C ATOM 1384 CD2 PHE A 89 8.030 -3.258 -3.171 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.479 -4.253 -3.430 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.612 -3.901 -4.365 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.345 -4.385 -4.470 1.00 0.00 C ATOM 0 H PHE A 89 8.058 -1.600 1.378 1.00 0.00 H new ATOM 0 HA PHE A 89 7.078 -4.014 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.832 -1.746 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.497 -1.830 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.209 -3.504 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.036 -2.874 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.473 -4.638 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.300 -4.006 -5.191 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.027 -4.874 -5.379 1.00 0.00 H new ATOM 1397 N PHE A 90 10.218 -3.711 -0.403 1.00 0.00 N ATOM 1398 CA PHE A 90 11.386 -4.466 -0.825 1.00 0.00 C ATOM 1399 C PHE A 90 11.743 -5.543 0.201 1.00 0.00 C ATOM 1400 O PHE A 90 11.984 -6.694 -0.160 1.00 0.00 O ATOM 1401 CB PHE A 90 12.546 -3.474 -0.931 1.00 0.00 C ATOM 1402 CG PHE A 90 13.857 -4.099 -1.411 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.536 -4.959 -0.606 1.00 0.00 C ATOM 1404 CD2 PHE A 90 14.343 -3.795 -2.644 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.753 -5.539 -1.052 1.00 0.00 C ATOM 1406 CE2 PHE A 90 15.560 -4.375 -3.091 1.00 0.00 C ATOM 1407 CZ PHE A 90 16.240 -5.235 -2.285 1.00 0.00 C ATOM 0 H PHE A 90 10.361 -2.703 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 90 11.186 -4.960 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.265 -2.674 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.709 -3.016 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.150 -5.201 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.803 -3.112 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.292 -6.222 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.946 -4.133 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 90 17.166 -5.676 -2.624 1.00 0.00 H new ATOM 1417 N GLU A 91 11.767 -5.131 1.460 1.00 0.00 N ATOM 1418 CA GLU A 91 12.091 -6.046 2.541 1.00 0.00 C ATOM 1419 C GLU A 91 11.071 -7.186 2.596 1.00 0.00 C ATOM 1420 O GLU A 91 11.297 -8.194 3.263 1.00 0.00 O ATOM 1421 CB GLU A 91 12.162 -5.310 3.880 1.00 0.00 C ATOM 1422 CG GLU A 91 13.595 -5.288 4.418 1.00 0.00 C ATOM 1423 CD GLU A 91 13.608 -5.085 5.935 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.040 -5.956 6.629 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.185 -4.063 6.366 1.00 0.00 O ATOM 0 H GLU A 91 11.567 -4.175 1.756 1.00 0.00 H new ATOM 0 HA GLU A 91 13.075 -6.473 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.800 -4.289 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.506 -5.797 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.095 -6.224 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.156 -4.488 3.936 1.00 0.00 H new ATOM 1432 N SER A 92 9.971 -6.987 1.885 1.00 0.00 N ATOM 1433 CA SER A 92 8.916 -7.985 1.844 1.00 0.00 C ATOM 1434 C SER A 92 9.039 -8.824 0.570 1.00 0.00 C ATOM 1435 O SER A 92 8.809 -10.033 0.594 1.00 0.00 O ATOM 1436 CB SER A 92 7.535 -7.330 1.917 1.00 0.00 C ATOM 1437 OG SER A 92 7.092 -7.167 3.261 1.00 0.00 O ATOM 0 H SER A 92 9.787 -6.149 1.333 1.00 0.00 H new ATOM 0 HA SER A 92 9.026 -8.635 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.569 -6.357 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.816 -7.939 1.369 1.00 0.00 H new ATOM 0 HG SER A 92 6.916 -8.046 3.656 1.00 0.00 H new ATOM 1443 N LYS A 93 9.400 -8.151 -0.512 1.00 0.00 N ATOM 1444 CA LYS A 93 9.556 -8.819 -1.792 1.00 0.00 C ATOM 1445 C LYS A 93 10.497 -10.014 -1.628 1.00 0.00 C ATOM 1446 O LYS A 93 10.291 -11.060 -2.241 1.00 0.00 O ATOM 1447 CB LYS A 93 10.006 -7.825 -2.865 1.00 0.00 C ATOM 1448 CG LYS A 93 8.817 -7.031 -3.410 1.00 0.00 C ATOM 1449 CD LYS A 93 9.144 -6.423 -4.775 1.00 0.00 C ATOM 1450 CE LYS A 93 10.218 -5.340 -4.651 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.561 -5.953 -4.543 1.00 0.00 N ATOM 0 H LYS A 93 9.589 -7.149 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 93 8.599 -9.211 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.743 -7.141 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.495 -8.360 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.948 -7.684 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.552 -6.239 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.488 -7.205 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.241 -5.996 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.181 -4.681 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.022 -4.723 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.220 -5.460 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.901 -5.873 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.507 -6.957 -4.810 1.00 0.00 H new ATOM 1465 N GLU A 94 11.511 -9.818 -0.797 1.00 0.00 N ATOM 1466 CA GLU A 94 12.484 -10.867 -0.544 1.00 0.00 C ATOM 1467 C GLU A 94 11.788 -12.121 -0.011 1.00 0.00 C ATOM 1468 O GLU A 94 12.176 -13.240 -0.343 1.00 0.00 O ATOM 1469 CB GLU A 94 13.567 -10.388 0.425 1.00 0.00 C ATOM 1470 CG GLU A 94 14.438 -9.307 -0.218 1.00 0.00 C ATOM 1471 CD GLU A 94 15.790 -9.199 0.491 1.00 0.00 C ATOM 1472 OE1 GLU A 94 15.847 -8.455 1.493 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.736 -9.863 0.014 1.00 0.00 O ATOM 0 H GLU A 94 11.679 -8.949 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 94 12.970 -11.118 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.103 -9.996 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.190 -11.231 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.593 -9.539 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.923 -8.347 -0.176 1.00 0.00 H new ATOM 1480 N SER A 95 10.770 -11.891 0.807 1.00 0.00 N ATOM 1481 CA SER A 95 10.016 -12.989 1.389 1.00 0.00 C ATOM 1482 C SER A 95 8.698 -13.175 0.636 1.00 0.00 C ATOM 1483 O SER A 95 7.920 -14.074 0.951 1.00 0.00 O ATOM 1484 CB SER A 95 9.748 -12.745 2.875 1.00 0.00 C ATOM 1485 OG SER A 95 10.595 -13.535 3.706 1.00 0.00 O ATOM 0 H SER A 95 10.450 -10.962 1.080 1.00 0.00 H new ATOM 0 HA SER A 95 10.610 -13.898 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.899 -11.690 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.706 -12.973 3.098 1.00 0.00 H new ATOM 0 HG SER A 95 10.395 -13.350 4.647 1.00 0.00 H new ATOM 1491 N ASN A 96 8.487 -12.310 -0.346 1.00 0.00 N ATOM 1492 CA ASN A 96 7.275 -12.368 -1.147 1.00 0.00 C ATOM 1493 C ASN A 96 6.060 -12.165 -0.240 1.00 0.00 C ATOM 1494 O ASN A 96 5.030 -12.813 -0.422 1.00 0.00 O ATOM 1495 CB ASN A 96 7.132 -13.729 -1.832 1.00 0.00 C ATOM 1496 CG ASN A 96 6.677 -13.567 -3.283 1.00 0.00 C ATOM 1497 OD1 ASN A 96 5.504 -13.407 -3.578 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.667 -13.618 -4.170 1.00 0.00 N ATOM 0 H ASN A 96 9.134 -11.566 -0.605 1.00 0.00 H new ATOM 0 HA ASN A 96 7.334 -11.587 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.085 -14.257 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.412 -14.340 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.466 -13.521 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.627 -13.754 -3.855 1.00 0.00 H new ATOM 1505 N THR A 97 6.219 -11.262 0.716 1.00 0.00 N ATOM 1506 CA THR A 97 5.148 -10.965 1.651 1.00 0.00 C ATOM 1507 C THR A 97 4.446 -9.663 1.262 1.00 0.00 C ATOM 1508 O THR A 97 3.566 -9.189 1.980 1.00 0.00 O ATOM 1509 CB THR A 97 5.744 -10.937 3.060 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.956 -10.203 2.910 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.201 -12.320 3.530 1.00 0.00 C ATOM 0 H THR A 97 7.074 -10.726 0.863 1.00 0.00 H new ATOM 0 HA THR A 97 4.376 -11.734 1.625 1.00 0.00 H new ATOM 0 HB THR A 97 5.006 -10.542 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.407 -10.135 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.616 -12.244 4.535 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.350 -13.001 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.963 -12.702 2.851 1.00 0.00 H new ATOM 1519 N VAL A 98 4.862 -9.120 0.127 1.00 0.00 N ATOM 1520 CA VAL A 98 4.284 -7.881 -0.366 1.00 0.00 C ATOM 1521 C VAL A 98 2.780 -7.878 -0.086 1.00 0.00 C ATOM 1522 O VAL A 98 2.250 -6.915 0.466 1.00 0.00 O ATOM 1523 CB VAL A 98 4.617 -7.702 -1.848 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.484 -6.982 -2.582 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.944 -6.961 -2.027 1.00 0.00 C ATOM 0 H VAL A 98 5.592 -9.515 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 98 4.713 -7.025 0.155 1.00 0.00 H new ATOM 0 HB VAL A 98 4.725 -8.693 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.747 -6.868 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.567 -7.566 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.330 -5.999 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.157 -6.847 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.877 -5.977 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.745 -7.530 -1.556 1.00 0.00 H new ATOM 1535 N PHE A 99 2.135 -8.966 -0.480 1.00 0.00 N ATOM 1536 CA PHE A 99 0.702 -9.101 -0.279 1.00 0.00 C ATOM 1537 C PHE A 99 0.325 -8.822 1.177 1.00 0.00 C ATOM 1538 O PHE A 99 -0.527 -7.978 1.450 1.00 0.00 O ATOM 1539 CB PHE A 99 0.337 -10.547 -0.620 1.00 0.00 C ATOM 1540 CG PHE A 99 0.070 -10.787 -2.107 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.107 -11.022 -2.955 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -1.205 -10.766 -2.581 1.00 0.00 C ATOM 1543 CE1 PHE A 99 0.859 -11.245 -4.335 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.452 -10.989 -3.962 1.00 0.00 C ATOM 1545 CZ PHE A 99 -0.415 -11.224 -4.809 1.00 0.00 C ATOM 0 H PHE A 99 2.578 -9.763 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 99 0.169 -8.388 -0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.147 -11.201 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.549 -10.831 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.119 -11.039 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.029 -10.580 -1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.683 -11.431 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.464 -10.972 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.603 -11.394 -5.859 1.00 0.00 H new ATOM 1555 N SER A 100 0.977 -9.547 2.074 1.00 0.00 N ATOM 1556 CA SER A 100 0.720 -9.388 3.495 1.00 0.00 C ATOM 1557 C SER A 100 1.183 -8.005 3.959 1.00 0.00 C ATOM 1558 O SER A 100 0.506 -7.354 4.753 1.00 0.00 O ATOM 1559 CB SER A 100 1.418 -10.481 4.307 1.00 0.00 C ATOM 1560 OG SER A 100 0.502 -11.208 5.122 1.00 0.00 O ATOM 0 H SER A 100 1.683 -10.246 1.844 1.00 0.00 H new ATOM 0 HA SER A 100 -0.353 -9.480 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.925 -11.168 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.185 -10.031 4.937 1.00 0.00 H new ATOM 0 HG SER A 100 0.986 -11.897 5.623 1.00 0.00 H new ATOM 1566 N PHE A 101 2.333 -7.598 3.443 1.00 0.00 N ATOM 1567 CA PHE A 101 2.895 -6.304 3.794 1.00 0.00 C ATOM 1568 C PHE A 101 1.871 -5.187 3.584 1.00 0.00 C ATOM 1569 O PHE A 101 1.833 -4.223 4.347 1.00 0.00 O ATOM 1570 CB PHE A 101 4.088 -6.068 2.867 1.00 0.00 C ATOM 1571 CG PHE A 101 4.440 -4.592 2.670 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.564 -3.772 3.748 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.628 -4.099 1.416 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.891 -2.403 3.565 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.955 -2.729 1.233 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.079 -1.910 2.311 1.00 0.00 C ATOM 0 H PHE A 101 2.891 -8.141 2.784 1.00 0.00 H new ATOM 0 HA PHE A 101 3.189 -6.298 4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.957 -6.588 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.874 -6.513 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.414 -4.163 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.529 -4.749 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.991 -1.753 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.105 -2.338 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.327 -0.868 2.172 1.00 0.00 H new ATOM 1586 N LEU A 102 1.066 -5.354 2.545 1.00 0.00 N ATOM 1587 CA LEU A 102 0.044 -4.371 2.225 1.00 0.00 C ATOM 1588 C LEU A 102 -1.231 -4.694 3.007 1.00 0.00 C ATOM 1589 O LEU A 102 -2.050 -3.811 3.257 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.166 -4.291 0.711 1.00 0.00 C ATOM 1591 CG LEU A 102 1.104 -4.260 -0.141 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.911 -5.046 -1.440 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.555 -2.822 -0.403 1.00 0.00 C ATOM 0 H LEU A 102 1.100 -6.155 1.914 1.00 0.00 H new ATOM 0 HA LEU A 102 0.363 -3.375 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.766 -5.146 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.749 -3.396 0.492 1.00 0.00 H new ATOM 0 HG LEU A 102 1.902 -4.750 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.828 -5.008 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.672 -6.083 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.095 -4.607 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.460 -2.829 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.768 -2.284 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.759 -2.326 0.546 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.359 -5.961 3.370 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.521 -6.411 4.118 1.00 0.00 C ATOM 1607 C GLY A 103 -3.467 -7.220 3.228 1.00 0.00 C ATOM 1608 O GLY A 103 -4.682 -7.187 3.417 1.00 0.00 O ATOM 0 H GLY A 103 -0.678 -6.691 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.200 -7.021 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.049 -5.550 4.528 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.873 -7.927 2.277 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.648 -8.742 1.358 1.00 0.00 C ATOM 1614 C LEU A 104 -3.550 -10.210 1.777 1.00 0.00 C ATOM 1615 O LEU A 104 -2.987 -11.030 1.054 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.210 -8.485 -0.086 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.000 -7.019 -0.472 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.227 -6.904 -1.787 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.333 -6.269 -0.522 1.00 0.00 C ATOM 0 H LEU A 104 -1.865 -7.952 2.124 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.702 -8.467 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.279 -9.024 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.958 -8.912 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.393 -6.545 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.091 -5.852 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.252 -7.380 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.786 -7.398 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.156 -5.230 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.985 -6.735 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.809 -6.308 0.458 1.00 0.00 H new