USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 652 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 47 TYR OH : rot 150:sc= 0.182 USER MOD Set 1.2: A 115 THR OG1 : rot 116:sc= 1.63 USER MOD Set 2.1: A 32 CYS SG : rot -90:sc= -4.02! USER MOD Set 2.2: A 110 TYR OH : rot 79:sc= 0.288 USER MOD Set 3.1: A 102 ASN : amide:sc= 1.69 K(o=3.7,f=-5.9!) USER MOD Set 3.2: A 104 SER OG : rot -93:sc= 0.974 USER MOD Set 3.3: A 108 SER OG : rot -40:sc= 1.05 USER MOD Set 4.1: A 101 LYS NZ :NH3+ -179:sc= 0.86 (180deg=0) USER MOD Set 4.2: A 103 ASN : amide:sc= 0.402! C(o=1.3!,f=-3.9!) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -167:sc= 0.918 (180deg=0) USER MOD Set 5.2: A 105 SER OG : rot 180:sc= 0.796 USER MOD Single : A 20 THR OG1 : rot -33:sc= 1.29 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.776 K(o=1,f=-6.5!) USER MOD Single : A 52 SER OG : rot 55:sc= 0.878 USER MOD Single : A 53 THR OG1 : rot -49:sc= 0.0272 USER MOD Single : A 54 ASN : amide:sc= -2.81 K(o=-2.8,f=-0.94) USER MOD Single : A 56 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.45) USER MOD Single : A 59 MET CE :methyl 136:sc= -0.258 (180deg=-1.39) USER MOD Single : A 60 THR OG1 : rot -179:sc= -0.318 USER MOD Single : A 66 ASN : amide:sc= 1.05 K(o=1,f=-2.4!) USER MOD Single : A 70 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00594 K(o=-0.0059,f=-3.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 92 SER OG : rot 180:sc= 0.177 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.569) USER MOD Single : A 107 THR OG1 : rot -62:sc= 0.14 USER MOD Single : A 109 ASN : amide:sc= -0.204 K(o=-0.2,f=-8.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.377 -10.482 2.175 1.00 0.00 N ATOM 92 CA ALA A 19 -3.781 -10.428 0.851 1.00 0.00 C ATOM 93 C ALA A 19 -2.364 -9.882 0.919 1.00 0.00 C ATOM 94 O ALA A 19 -2.144 -8.673 0.819 1.00 0.00 O ATOM 95 CB ALA A 19 -4.633 -9.590 -0.086 1.00 0.00 C ATOM 0 HA ALA A 19 -3.736 -11.443 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.169 -9.562 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.627 -10.030 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.715 -8.576 0.305 1.00 0.00 H new ATOM 101 N THR A 20 -1.412 -10.782 1.115 1.00 0.00 N ATOM 102 CA THR A 20 -0.008 -10.417 1.157 1.00 0.00 C ATOM 103 C THR A 20 0.518 -10.132 -0.245 1.00 0.00 C ATOM 104 O THR A 20 0.751 -11.048 -1.035 1.00 0.00 O ATOM 105 CB THR A 20 0.833 -11.533 1.803 1.00 0.00 C ATOM 106 OG1 THR A 20 0.168 -12.024 2.974 1.00 0.00 O ATOM 107 CG2 THR A 20 2.221 -11.025 2.173 1.00 0.00 C ATOM 0 H THR A 20 -1.591 -11.777 1.248 1.00 0.00 H new ATOM 0 HA THR A 20 0.079 -9.514 1.762 1.00 0.00 H new ATOM 0 HB THR A 20 0.945 -12.341 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.320 -11.291 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.795 -11.833 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.732 -10.677 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.130 -10.201 2.881 1.00 0.00 H new ATOM 115 N TYR A 21 0.678 -8.854 -0.554 1.00 0.00 N ATOM 116 CA TYR A 21 1.229 -8.433 -1.829 1.00 0.00 C ATOM 117 C TYR A 21 2.748 -8.518 -1.789 1.00 0.00 C ATOM 118 O TYR A 21 3.432 -7.522 -1.550 1.00 0.00 O ATOM 119 CB TYR A 21 0.805 -6.998 -2.166 1.00 0.00 C ATOM 120 CG TYR A 21 -0.688 -6.800 -2.336 1.00 0.00 C ATOM 121 CD1 TYR A 21 -1.520 -7.850 -2.702 1.00 0.00 C ATOM 122 CD2 TYR A 21 -1.263 -5.551 -2.133 1.00 0.00 C ATOM 123 CE1 TYR A 21 -2.882 -7.661 -2.859 1.00 0.00 C ATOM 124 CE2 TYR A 21 -2.621 -5.354 -2.288 1.00 0.00 C ATOM 125 CZ TYR A 21 -3.426 -6.411 -2.651 1.00 0.00 C ATOM 126 OH TYR A 21 -4.781 -6.215 -2.804 1.00 0.00 O ATOM 0 H TYR A 21 0.431 -8.085 0.069 1.00 0.00 H new ATOM 0 HA TYR A 21 0.843 -9.098 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.158 -6.335 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.305 -6.693 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.097 -8.830 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.636 -4.719 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.516 -8.488 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.050 -4.376 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.999 -5.278 -2.619 1.00 0.00 H new ATOM 136 N THR A 22 3.266 -9.718 -1.973 1.00 0.00 N ATOM 137 CA THR A 22 4.699 -9.927 -2.049 1.00 0.00 C ATOM 138 C THR A 22 5.247 -9.381 -3.365 1.00 0.00 C ATOM 139 O THR A 22 4.796 -9.773 -4.445 1.00 0.00 O ATOM 140 CB THR A 22 5.037 -11.422 -1.932 1.00 0.00 C ATOM 141 OG1 THR A 22 4.198 -12.039 -0.942 1.00 0.00 O ATOM 142 CG2 THR A 22 6.496 -11.623 -1.559 1.00 0.00 C ATOM 0 H THR A 22 2.711 -10.568 -2.073 1.00 0.00 H new ATOM 0 HA THR A 22 5.162 -9.394 -1.219 1.00 0.00 H new ATOM 0 HB THR A 22 4.860 -11.886 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.418 -12.992 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.708 -12.689 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.132 -11.180 -2.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.696 -11.144 -0.601 1.00 0.00 H new ATOM 150 N GLY A 23 6.204 -8.471 -3.275 1.00 0.00 N ATOM 151 CA GLY A 23 6.755 -7.860 -4.465 1.00 0.00 C ATOM 152 C GLY A 23 8.201 -7.461 -4.288 1.00 0.00 C ATOM 153 O GLY A 23 8.685 -7.344 -3.160 1.00 0.00 O ATOM 0 H GLY A 23 6.609 -8.144 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.672 -8.556 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.167 -6.980 -4.724 1.00 0.00 H new ATOM 157 N THR A 24 8.893 -7.259 -5.397 1.00 0.00 N ATOM 158 CA THR A 24 10.288 -6.861 -5.369 1.00 0.00 C ATOM 159 C THR A 24 10.418 -5.353 -5.566 1.00 0.00 C ATOM 160 O THR A 24 9.709 -4.760 -6.381 1.00 0.00 O ATOM 161 CB THR A 24 11.092 -7.598 -6.457 1.00 0.00 C ATOM 162 OG1 THR A 24 10.212 -8.418 -7.242 1.00 0.00 O ATOM 163 CG2 THR A 24 12.180 -8.464 -5.834 1.00 0.00 C ATOM 0 H THR A 24 8.506 -7.366 -6.335 1.00 0.00 H new ATOM 0 HA THR A 24 10.693 -7.130 -4.393 1.00 0.00 H new ATOM 0 HB THR A 24 11.566 -6.854 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.728 -8.883 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.734 -8.974 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.861 -7.836 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.724 -9.202 -5.174 1.00 0.00 H new ATOM 171 N ILE A 25 11.318 -4.742 -4.816 1.00 0.00 N ATOM 172 CA ILE A 25 11.504 -3.303 -4.860 1.00 0.00 C ATOM 173 C ILE A 25 12.937 -2.964 -5.268 1.00 0.00 C ATOM 174 O ILE A 25 13.844 -3.792 -5.123 1.00 0.00 O ATOM 175 CB ILE A 25 11.154 -2.670 -3.489 1.00 0.00 C ATOM 176 CG1 ILE A 25 10.617 -1.240 -3.671 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.346 -2.712 -2.539 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.552 -0.142 -3.201 1.00 0.00 C ATOM 0 H ILE A 25 11.936 -5.225 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 25 10.830 -2.886 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 25 10.362 -3.264 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.396 -1.082 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.674 -1.150 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.068 -2.261 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.645 -3.747 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.178 -2.158 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.087 0.829 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.754 -0.267 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.488 -0.198 -3.757 1.00 0.00 H new ATOM 190 N GLN A 26 13.135 -1.756 -5.783 1.00 0.00 N ATOM 191 CA GLN A 26 14.446 -1.333 -6.258 1.00 0.00 C ATOM 192 C GLN A 26 15.276 -0.793 -5.102 1.00 0.00 C ATOM 193 O GLN A 26 14.729 -0.277 -4.129 1.00 0.00 O ATOM 194 CB GLN A 26 14.315 -0.259 -7.348 1.00 0.00 C ATOM 195 CG GLN A 26 13.006 -0.313 -8.126 1.00 0.00 C ATOM 196 CD GLN A 26 13.141 0.229 -9.536 1.00 0.00 C ATOM 197 OE1 GLN A 26 13.351 -0.523 -10.488 1.00 0.00 O ATOM 198 NE2 GLN A 26 13.027 1.541 -9.678 1.00 0.00 N ATOM 0 H GLN A 26 12.403 -1.052 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 26 14.946 -2.202 -6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.410 0.724 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.145 -0.364 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.656 -1.344 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.247 0.259 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.853 2.129 -8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.113 1.963 -10.602 1.00 0.00 H new ATOM 207 N GLY A 27 16.591 -0.923 -5.211 1.00 0.00 N ATOM 208 CA GLY A 27 17.477 -0.440 -4.172 1.00 0.00 C ATOM 209 C GLY A 27 17.370 1.057 -3.963 1.00 0.00 C ATOM 210 O GLY A 27 17.615 1.837 -4.889 1.00 0.00 O ATOM 0 H GLY A 27 17.062 -1.357 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.247 -0.951 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.505 -0.694 -4.429 1.00 0.00 H new ATOM 214 N LYS A 28 16.997 1.446 -2.745 1.00 0.00 N ATOM 215 CA LYS A 28 16.869 2.850 -2.356 1.00 0.00 C ATOM 216 C LYS A 28 15.749 3.549 -3.126 1.00 0.00 C ATOM 217 O LYS A 28 15.940 4.637 -3.677 1.00 0.00 O ATOM 218 CB LYS A 28 18.194 3.593 -2.553 1.00 0.00 C ATOM 219 CG LYS A 28 18.818 4.082 -1.257 1.00 0.00 C ATOM 220 CD LYS A 28 19.343 2.926 -0.421 1.00 0.00 C ATOM 221 CE LYS A 28 20.404 3.387 0.567 1.00 0.00 C ATOM 222 NZ LYS A 28 21.765 2.945 0.166 1.00 0.00 N ATOM 0 H LYS A 28 16.774 0.792 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 28 16.610 2.871 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.899 2.933 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.028 4.446 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.633 4.770 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.078 4.641 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.518 2.463 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.762 2.163 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.383 4.474 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.172 2.995 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.422 3.082 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.741 1.938 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.086 3.505 -0.649 1.00 0.00 H new ATOM 236 N GLY A 29 14.579 2.931 -3.144 1.00 0.00 N ATOM 237 CA GLY A 29 13.433 3.513 -3.813 1.00 0.00 C ATOM 238 C GLY A 29 12.238 3.618 -2.885 1.00 0.00 C ATOM 239 O GLY A 29 12.304 3.171 -1.743 1.00 0.00 O ATOM 0 H GLY A 29 14.401 2.029 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.693 4.504 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.170 2.906 -4.679 1.00 0.00 H new ATOM 243 N GLU A 30 11.163 4.235 -3.365 1.00 0.00 N ATOM 244 CA GLU A 30 9.910 4.327 -2.610 1.00 0.00 C ATOM 245 C GLU A 30 8.736 4.204 -3.574 1.00 0.00 C ATOM 246 O GLU A 30 8.494 5.102 -4.382 1.00 0.00 O ATOM 247 CB GLU A 30 9.814 5.659 -1.845 1.00 0.00 C ATOM 248 CG GLU A 30 11.113 6.451 -1.799 1.00 0.00 C ATOM 249 CD GLU A 30 10.897 7.943 -1.908 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.008 8.475 -1.212 1.00 0.00 O ATOM 251 OE2 GLU A 30 11.618 8.594 -2.692 1.00 0.00 O ATOM 0 H GLU A 30 11.131 4.683 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 30 9.885 3.517 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.043 6.275 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.490 5.456 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.633 6.232 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.762 6.123 -2.611 1.00 0.00 H new ATOM 258 N VAL A 31 8.014 3.089 -3.501 1.00 0.00 N ATOM 259 CA VAL A 31 6.988 2.803 -4.503 1.00 0.00 C ATOM 260 C VAL A 31 5.937 1.783 -4.033 1.00 0.00 C ATOM 261 O VAL A 31 6.303 0.687 -3.616 1.00 0.00 O ATOM 262 CB VAL A 31 7.680 2.249 -5.760 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.744 1.240 -5.349 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.679 1.619 -6.704 1.00 0.00 C ATOM 0 H VAL A 31 8.116 2.380 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 31 6.460 3.736 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 31 8.154 3.074 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.235 0.846 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.482 1.728 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.277 0.422 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.198 1.237 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.169 0.799 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.948 2.367 -7.011 1.00 0.00 H new ATOM 274 N CYS A 32 4.651 2.157 -3.990 1.00 0.00 N ATOM 275 CA CYS A 32 3.573 1.162 -4.059 1.00 0.00 C ATOM 276 C CYS A 32 2.213 1.724 -4.522 1.00 0.00 C ATOM 277 O CYS A 32 2.104 2.882 -4.888 1.00 0.00 O ATOM 278 CB CYS A 32 3.454 0.303 -2.813 1.00 0.00 C ATOM 279 SG CYS A 32 3.812 -1.458 -3.162 1.00 0.00 S ATOM 0 H CYS A 32 4.336 3.124 -3.909 1.00 0.00 H new ATOM 0 HA CYS A 32 3.891 0.492 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.143 0.670 -2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.448 0.395 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 32 2.711 -2.068 -3.488 1.00 0.00 H new ATOM 284 N ILE A 33 1.204 0.847 -4.544 1.00 0.00 N ATOM 285 CA ILE A 33 -0.178 1.171 -4.991 1.00 0.00 C ATOM 286 C ILE A 33 -1.021 1.804 -3.878 1.00 0.00 C ATOM 287 O ILE A 33 -0.501 2.105 -2.829 1.00 0.00 O ATOM 288 CB ILE A 33 -0.939 -0.096 -5.443 1.00 0.00 C ATOM 289 CG1 ILE A 33 -0.143 -1.372 -5.156 1.00 0.00 C ATOM 290 CG2 ILE A 33 -1.287 -0.009 -6.907 1.00 0.00 C ATOM 291 CD1 ILE A 33 -0.540 -2.060 -3.867 1.00 0.00 C ATOM 0 H ILE A 33 1.313 -0.124 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.050 1.873 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.861 -0.148 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.277 -2.067 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.918 -1.126 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.822 -0.910 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.918 0.863 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.373 0.083 -7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.066 -2.956 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.380 -1.382 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.593 -2.338 -3.912 1.00 0.00 H new ATOM 476 N LEU A 46 -7.211 0.417 1.746 1.00 0.00 N ATOM 477 CA LEU A 46 -6.602 1.667 2.188 1.00 0.00 C ATOM 478 C LEU A 46 -5.766 1.425 3.439 1.00 0.00 C ATOM 479 O LEU A 46 -5.063 2.313 3.912 1.00 0.00 O ATOM 480 CB LEU A 46 -7.645 2.764 2.427 1.00 0.00 C ATOM 481 CG LEU A 46 -8.296 3.363 1.175 1.00 0.00 C ATOM 482 CD1 LEU A 46 -8.695 4.794 1.443 1.00 0.00 C ATOM 483 CD2 LEU A 46 -7.362 3.316 -0.019 1.00 0.00 C ATOM 0 HA LEU A 46 -5.951 2.022 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.432 2.356 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.172 3.571 2.986 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.177 2.766 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.157 5.216 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.406 4.825 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.811 5.376 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.859 3.749 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.459 3.884 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.096 2.281 -0.233 1.00 0.00 H new ATOM 495 N TYR A 47 -5.849 0.208 3.962 1.00 0.00 N ATOM 496 CA TYR A 47 -5.006 -0.216 5.064 1.00 0.00 C ATOM 497 C TYR A 47 -4.142 -1.389 4.611 1.00 0.00 C ATOM 498 O TYR A 47 -4.625 -2.307 3.941 1.00 0.00 O ATOM 499 CB TYR A 47 -5.865 -0.567 6.294 1.00 0.00 C ATOM 500 CG TYR A 47 -5.582 -1.920 6.922 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.520 -2.107 7.801 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.388 -3.009 6.633 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.277 -3.345 8.372 1.00 0.00 C ATOM 504 CE2 TYR A 47 -6.153 -4.242 7.199 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.099 -4.408 8.065 1.00 0.00 C ATOM 506 OH TYR A 47 -4.874 -5.645 8.626 1.00 0.00 O ATOM 0 H TYR A 47 -6.499 -0.506 3.634 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.345 0.598 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.718 0.204 7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.915 -0.533 6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.876 -1.274 8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.216 -2.889 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.449 -3.477 9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.796 -5.077 6.963 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.725 -6.122 8.717 1.00 0.00 H new ATOM 516 N ALA A 48 -2.865 -1.351 4.966 1.00 0.00 N ATOM 517 CA ALA A 48 -1.912 -2.333 4.497 1.00 0.00 C ATOM 518 C ALA A 48 -0.756 -2.451 5.475 1.00 0.00 C ATOM 519 O ALA A 48 -0.167 -1.453 5.884 1.00 0.00 O ATOM 520 CB ALA A 48 -1.398 -1.961 3.115 1.00 0.00 C ATOM 0 H ALA A 48 -2.468 -0.642 5.583 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.414 -3.298 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.682 -2.711 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.233 -1.917 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.910 -0.987 3.158 1.00 0.00 H new ATOM 526 N VAL A 49 -0.449 -3.670 5.855 1.00 0.00 N ATOM 527 CA VAL A 49 0.642 -3.929 6.771 1.00 0.00 C ATOM 528 C VAL A 49 1.899 -4.295 5.995 1.00 0.00 C ATOM 529 O VAL A 49 2.011 -5.400 5.466 1.00 0.00 O ATOM 530 CB VAL A 49 0.293 -5.076 7.732 1.00 0.00 C ATOM 531 CG1 VAL A 49 1.399 -5.278 8.757 1.00 0.00 C ATOM 532 CG2 VAL A 49 -1.037 -4.821 8.417 1.00 0.00 C ATOM 0 H VAL A 49 -0.943 -4.505 5.542 1.00 0.00 H new ATOM 0 HA VAL A 49 0.816 -3.023 7.351 1.00 0.00 H new ATOM 0 HB VAL A 49 0.202 -5.991 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.130 -6.095 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.330 -5.520 8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.531 -4.363 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.263 -5.646 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.982 -3.892 8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.823 -4.741 7.666 1.00 0.00 H new ATOM 542 N LEU A 50 2.835 -3.368 5.913 1.00 0.00 N ATOM 543 CA LEU A 50 4.077 -3.619 5.201 1.00 0.00 C ATOM 544 C LEU A 50 4.975 -4.513 6.041 1.00 0.00 C ATOM 545 O LEU A 50 5.474 -4.088 7.073 1.00 0.00 O ATOM 546 CB LEU A 50 4.790 -2.299 4.884 1.00 0.00 C ATOM 547 CG LEU A 50 5.741 -2.314 3.677 1.00 0.00 C ATOM 548 CD1 LEU A 50 7.186 -2.222 4.140 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.533 -3.557 2.822 1.00 0.00 C ATOM 0 H LEU A 50 2.761 -2.439 6.328 1.00 0.00 H new ATOM 0 HA LEU A 50 3.851 -4.121 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.033 -1.533 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.358 -1.997 5.764 1.00 0.00 H new ATOM 0 HG LEU A 50 5.513 -1.444 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.847 -2.234 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.332 -1.295 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.417 -3.071 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.221 -3.537 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.722 -4.447 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.507 -3.578 2.454 1.00 0.00 H new ATOM 561 N HIS A 51 5.147 -5.753 5.612 1.00 0.00 N ATOM 562 CA HIS A 51 6.003 -6.697 6.319 1.00 0.00 C ATOM 563 C HIS A 51 7.371 -6.761 5.667 1.00 0.00 C ATOM 564 O HIS A 51 7.513 -6.497 4.469 1.00 0.00 O ATOM 565 CB HIS A 51 5.396 -8.097 6.314 1.00 0.00 C ATOM 566 CG HIS A 51 4.209 -8.266 7.208 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.291 -8.343 8.583 1.00 0.00 N ATOM 568 CD2 HIS A 51 2.902 -8.395 6.905 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.082 -8.525 9.081 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.218 -8.559 8.081 1.00 0.00 N ATOM 0 H HIS A 51 4.704 -6.132 4.775 1.00 0.00 H new ATOM 0 HA HIS A 51 6.096 -6.348 7.347 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.105 -8.348 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.163 -8.812 6.612 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.150 -8.271 9.129 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.472 -8.373 5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.840 -8.629 10.128 1.00 0.00 H new ATOM 579 N SER A 52 8.364 -7.136 6.450 1.00 0.00 N ATOM 580 CA SER A 52 9.718 -7.255 5.952 1.00 0.00 C ATOM 581 C SER A 52 10.234 -8.681 6.142 1.00 0.00 C ATOM 582 O SER A 52 10.720 -9.035 7.214 1.00 0.00 O ATOM 583 CB SER A 52 10.627 -6.258 6.672 1.00 0.00 C ATOM 584 OG SER A 52 9.999 -5.739 7.841 1.00 0.00 O ATOM 0 H SER A 52 8.256 -7.364 7.438 1.00 0.00 H new ATOM 0 HA SER A 52 9.722 -7.029 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.563 -6.746 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.879 -5.440 5.998 1.00 0.00 H new ATOM 0 HG SER A 52 9.722 -6.480 8.420 1.00 0.00 H new ATOM 590 N THR A 53 10.113 -9.497 5.104 1.00 0.00 N ATOM 591 CA THR A 53 10.590 -10.871 5.157 1.00 0.00 C ATOM 592 C THR A 53 11.893 -11.004 4.354 1.00 0.00 C ATOM 593 O THR A 53 12.277 -12.087 3.901 1.00 0.00 O ATOM 594 CB THR A 53 9.494 -11.849 4.653 1.00 0.00 C ATOM 595 OG1 THR A 53 9.753 -13.184 5.106 1.00 0.00 O ATOM 596 CG2 THR A 53 9.369 -11.835 3.136 1.00 0.00 C ATOM 0 H THR A 53 9.689 -9.231 4.215 1.00 0.00 H new ATOM 0 HA THR A 53 10.807 -11.138 6.191 1.00 0.00 H new ATOM 0 HB THR A 53 8.548 -11.505 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.685 -13.419 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.591 -12.534 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.108 -10.831 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.319 -12.130 2.690 1.00 0.00 H new ATOM 604 N ASN A 54 12.582 -9.877 4.224 1.00 0.00 N ATOM 605 CA ASN A 54 13.804 -9.789 3.434 1.00 0.00 C ATOM 606 C ASN A 54 14.913 -9.146 4.270 1.00 0.00 C ATOM 607 O ASN A 54 14.627 -8.464 5.254 1.00 0.00 O ATOM 608 CB ASN A 54 13.518 -8.985 2.150 1.00 0.00 C ATOM 609 CG ASN A 54 14.689 -8.155 1.656 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.531 -8.637 0.901 1.00 0.00 O ATOM 611 ND2 ASN A 54 14.735 -6.896 2.059 1.00 0.00 N ATOM 0 H ASN A 54 12.309 -8.998 4.663 1.00 0.00 H new ATOM 0 HA ASN A 54 14.142 -10.784 3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.220 -9.676 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.670 -8.324 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.489 -6.286 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.016 -6.535 2.686 1.00 0.00 H new ATOM 618 N VAL A 55 16.165 -9.382 3.887 1.00 0.00 N ATOM 619 CA VAL A 55 17.321 -8.868 4.626 1.00 0.00 C ATOM 620 C VAL A 55 17.290 -7.345 4.758 1.00 0.00 C ATOM 621 O VAL A 55 17.244 -6.638 3.750 1.00 0.00 O ATOM 622 CB VAL A 55 18.657 -9.275 3.961 1.00 0.00 C ATOM 623 CG1 VAL A 55 19.263 -10.470 4.676 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.467 -9.576 2.480 1.00 0.00 C ATOM 0 H VAL A 55 16.409 -9.930 3.062 1.00 0.00 H new ATOM 0 HA VAL A 55 17.257 -9.315 5.618 1.00 0.00 H new ATOM 0 HB VAL A 55 19.345 -8.433 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.202 -10.743 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.450 -10.214 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.572 -11.312 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.424 -9.859 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.758 -10.395 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.084 -8.689 1.975 1.00 0.00 H new ATOM 634 N ASN A 56 17.319 -6.877 6.015 1.00 0.00 N ATOM 635 CA ASN A 56 17.315 -5.447 6.377 1.00 0.00 C ATOM 636 C ASN A 56 16.575 -4.571 5.366 1.00 0.00 C ATOM 637 O ASN A 56 17.145 -3.674 4.745 1.00 0.00 O ATOM 638 CB ASN A 56 18.746 -4.928 6.632 1.00 0.00 C ATOM 639 CG ASN A 56 19.638 -4.875 5.398 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.139 -5.898 4.931 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.866 -3.674 4.881 1.00 0.00 N ATOM 0 H ASN A 56 17.347 -7.493 6.827 1.00 0.00 H new ATOM 0 HA ASN A 56 16.755 -5.371 7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 56 18.683 -3.928 7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.220 -5.565 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.475 -3.576 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.432 -2.849 5.296 1.00 0.00 H new ATOM 648 N ALA A 57 15.285 -4.822 5.225 1.00 0.00 N ATOM 649 CA ALA A 57 14.461 -4.058 4.309 1.00 0.00 C ATOM 650 C ALA A 57 14.463 -2.589 4.703 1.00 0.00 C ATOM 651 O ALA A 57 14.704 -1.715 3.865 1.00 0.00 O ATOM 652 CB ALA A 57 13.044 -4.605 4.292 1.00 0.00 C ATOM 0 H ALA A 57 14.786 -5.551 5.735 1.00 0.00 H new ATOM 0 HA ALA A 57 14.876 -4.148 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.437 -4.021 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.060 -5.647 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.617 -4.540 5.293 1.00 0.00 H new ATOM 658 N ASP A 58 14.235 -2.343 5.997 1.00 0.00 N ATOM 659 CA ASP A 58 14.149 -0.988 6.548 1.00 0.00 C ATOM 660 C ASP A 58 13.343 -0.087 5.631 1.00 0.00 C ATOM 661 O ASP A 58 13.846 0.911 5.114 1.00 0.00 O ATOM 662 CB ASP A 58 15.536 -0.391 6.779 1.00 0.00 C ATOM 663 CG ASP A 58 15.530 0.671 7.868 1.00 0.00 C ATOM 664 OD1 ASP A 58 14.480 0.863 8.527 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.576 1.326 8.069 1.00 0.00 O ATOM 0 H ASP A 58 14.105 -3.078 6.692 1.00 0.00 H new ATOM 0 HA ASP A 58 13.643 -1.058 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.231 -1.185 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.901 0.046 5.850 1.00 0.00 H new ATOM 670 N MET A 59 12.090 -0.451 5.434 1.00 0.00 N ATOM 671 CA MET A 59 11.237 0.261 4.507 1.00 0.00 C ATOM 672 C MET A 59 10.236 1.102 5.263 1.00 0.00 C ATOM 673 O MET A 59 9.503 0.606 6.116 1.00 0.00 O ATOM 674 CB MET A 59 10.493 -0.712 3.586 1.00 0.00 C ATOM 675 CG MET A 59 11.397 -1.683 2.851 1.00 0.00 C ATOM 676 SD MET A 59 10.536 -3.183 2.336 1.00 0.00 S ATOM 677 CE MET A 59 11.522 -3.666 0.921 1.00 0.00 C ATOM 0 H MET A 59 11.642 -1.237 5.905 1.00 0.00 H new ATOM 0 HA MET A 59 11.869 0.906 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 59 9.774 -1.279 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.922 -0.139 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.816 -1.190 1.974 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.234 -1.952 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.707 -4.740 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.987 -3.420 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.473 -3.133 0.941 1.00 0.00 H new ATOM 687 N THR A 60 10.221 2.378 4.957 1.00 0.00 N ATOM 688 CA THR A 60 9.246 3.267 5.529 1.00 0.00 C ATOM 689 C THR A 60 8.033 3.333 4.614 1.00 0.00 C ATOM 690 O THR A 60 8.099 3.893 3.520 1.00 0.00 O ATOM 691 CB THR A 60 9.837 4.671 5.746 1.00 0.00 C ATOM 692 OG1 THR A 60 11.211 4.691 5.329 1.00 0.00 O ATOM 693 CG2 THR A 60 9.752 5.064 7.211 1.00 0.00 C ATOM 0 H THR A 60 10.876 2.822 4.313 1.00 0.00 H new ATOM 0 HA THR A 60 8.946 2.883 6.504 1.00 0.00 H new ATOM 0 HB THR A 60 9.262 5.383 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.587 5.583 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.175 6.060 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.709 5.067 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.312 4.348 7.813 1.00 0.00 H new ATOM 701 N LEU A 61 6.938 2.725 5.051 1.00 0.00 N ATOM 702 CA LEU A 61 5.726 2.686 4.253 1.00 0.00 C ATOM 703 C LEU A 61 4.969 3.986 4.423 1.00 0.00 C ATOM 704 O LEU A 61 4.358 4.241 5.458 1.00 0.00 O ATOM 705 CB LEU A 61 4.843 1.502 4.657 1.00 0.00 C ATOM 706 CG LEU A 61 3.514 1.400 3.905 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.739 0.917 2.479 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.556 0.473 4.636 1.00 0.00 C ATOM 0 H LEU A 61 6.867 2.254 5.953 1.00 0.00 H new ATOM 0 HA LEU A 61 6.000 2.559 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.403 0.580 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.635 1.571 5.725 1.00 0.00 H new ATOM 0 HG LEU A 61 3.068 2.394 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.782 0.851 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.387 1.619 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.209 -0.066 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.617 0.413 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.997 -0.521 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.366 0.861 5.637 1.00 0.00 H new ATOM 720 N ILE A 62 5.043 4.815 3.407 1.00 0.00 N ATOM 721 CA ILE A 62 4.430 6.123 3.454 1.00 0.00 C ATOM 722 C ILE A 62 3.263 6.209 2.497 1.00 0.00 C ATOM 723 O ILE A 62 3.303 5.697 1.380 1.00 0.00 O ATOM 724 CB ILE A 62 5.476 7.229 3.174 1.00 0.00 C ATOM 725 CG1 ILE A 62 4.820 8.606 3.055 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.286 6.910 1.927 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.811 9.722 2.800 1.00 0.00 C ATOM 0 H ILE A 62 5.525 4.605 2.533 1.00 0.00 H new ATOM 0 HA ILE A 62 4.040 6.282 4.460 1.00 0.00 H new ATOM 0 HB ILE A 62 6.156 7.258 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.091 8.585 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.271 8.820 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.013 7.703 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.808 5.963 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.618 6.835 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.279 10.671 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.525 9.769 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.343 9.531 1.868 1.00 0.00 H new ATOM 739 N LEU A 63 2.214 6.819 2.997 1.00 0.00 N ATOM 740 CA LEU A 63 0.979 6.998 2.279 1.00 0.00 C ATOM 741 C LEU A 63 0.945 8.399 1.670 1.00 0.00 C ATOM 742 O LEU A 63 1.100 9.396 2.380 1.00 0.00 O ATOM 743 CB LEU A 63 -0.158 6.780 3.276 1.00 0.00 C ATOM 744 CG LEU A 63 -1.573 6.940 2.765 1.00 0.00 C ATOM 745 CD1 LEU A 63 -1.691 6.474 1.326 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.550 6.169 3.661 1.00 0.00 C ATOM 0 H LEU A 63 2.198 7.213 3.938 1.00 0.00 H new ATOM 0 HA LEU A 63 0.879 6.289 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.059 5.774 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.018 7.475 4.104 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.828 7.999 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.719 6.601 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.025 7.064 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.414 5.422 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.565 6.292 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.288 5.111 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.493 6.555 4.679 1.00 0.00 H new ATOM 758 N LEU A 64 0.784 8.470 0.353 1.00 0.00 N ATOM 759 CA LEU A 64 0.857 9.740 -0.355 1.00 0.00 C ATOM 760 C LEU A 64 -0.310 9.947 -1.298 1.00 0.00 C ATOM 761 O LEU A 64 -1.016 9.010 -1.671 1.00 0.00 O ATOM 762 CB LEU A 64 2.142 9.837 -1.179 1.00 0.00 C ATOM 763 CG LEU A 64 3.430 9.733 -0.385 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.875 8.289 -0.284 1.00 0.00 C ATOM 765 CD2 LEU A 64 4.525 10.567 -1.013 1.00 0.00 C ATOM 0 H LEU A 64 0.602 7.663 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 64 0.835 10.509 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.133 9.047 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.140 10.786 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 64 3.237 10.116 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.801 8.233 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.103 7.704 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.042 7.889 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.437 10.474 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.712 10.217 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.216 11.612 -1.041 1.00 0.00 H new ATOM 777 N ARG A 65 -0.488 11.200 -1.675 1.00 0.00 N ATOM 778 CA ARG A 65 -1.385 11.567 -2.754 1.00 0.00 C ATOM 779 C ARG A 65 -0.838 12.808 -3.451 1.00 0.00 C ATOM 780 O ARG A 65 -0.863 13.908 -2.898 1.00 0.00 O ATOM 781 CB ARG A 65 -2.807 11.819 -2.239 1.00 0.00 C ATOM 782 CG ARG A 65 -2.872 12.527 -0.894 1.00 0.00 C ATOM 783 CD ARG A 65 -3.656 13.827 -0.980 1.00 0.00 C ATOM 784 NE ARG A 65 -3.129 14.843 -0.069 1.00 0.00 N ATOM 785 CZ ARG A 65 -3.211 16.156 -0.276 1.00 0.00 C ATOM 786 NH1 ARG A 65 -3.859 16.631 -1.333 1.00 0.00 N ATOM 787 NH2 ARG A 65 -2.654 16.988 0.592 1.00 0.00 N ATOM 0 H ARG A 65 -0.014 11.992 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.442 10.741 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.347 12.414 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.326 10.864 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.337 11.870 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.861 12.734 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.623 14.204 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.703 13.636 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.667 14.524 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.298 15.989 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.918 17.638 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.168 16.621 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.712 17.995 0.442 1.00 0.00 H new ATOM 801 N ASN A 66 -0.317 12.616 -4.650 1.00 0.00 N ATOM 802 CA ASN A 66 0.277 13.703 -5.423 1.00 0.00 C ATOM 803 C ASN A 66 -0.246 13.654 -6.848 1.00 0.00 C ATOM 804 O ASN A 66 -0.664 12.597 -7.318 1.00 0.00 O ATOM 805 CB ASN A 66 1.813 13.604 -5.403 1.00 0.00 C ATOM 806 CG ASN A 66 2.473 14.165 -6.656 1.00 0.00 C ATOM 807 OD1 ASN A 66 2.633 15.378 -6.800 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.861 13.287 -7.573 1.00 0.00 N ATOM 0 H ASN A 66 -0.291 11.709 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.003 14.656 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.193 14.138 -4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.101 12.559 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.308 13.610 -8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.712 12.290 -7.419 1.00 0.00 H new ATOM 815 N VAL A 67 -0.231 14.785 -7.529 1.00 0.00 N ATOM 816 CA VAL A 67 -0.662 14.831 -8.913 1.00 0.00 C ATOM 817 C VAL A 67 -0.081 16.060 -9.624 1.00 0.00 C ATOM 818 O VAL A 67 -0.598 16.530 -10.640 1.00 0.00 O ATOM 819 CB VAL A 67 -2.204 14.786 -8.980 1.00 0.00 C ATOM 820 CG1 VAL A 67 -2.820 16.141 -8.659 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.681 14.269 -10.330 1.00 0.00 C ATOM 0 H VAL A 67 0.074 15.681 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.281 13.957 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.543 14.086 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.906 16.070 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.529 16.444 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.467 16.881 -9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.771 14.249 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.318 14.926 -11.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.297 13.262 -10.490 1.00 0.00 H new ATOM 831 N GLY A 68 1.015 16.567 -9.075 1.00 0.00 N ATOM 832 CA GLY A 68 1.743 17.652 -9.699 1.00 0.00 C ATOM 833 C GLY A 68 3.170 17.243 -9.991 1.00 0.00 C ATOM 834 O GLY A 68 4.075 17.501 -9.196 1.00 0.00 O ATOM 0 H GLY A 68 1.416 16.240 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.247 17.944 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.736 18.524 -9.045 1.00 0.00 H new ATOM 838 N GLY A 69 3.365 16.587 -11.123 1.00 0.00 N ATOM 839 CA GLY A 69 4.652 16.011 -11.434 1.00 0.00 C ATOM 840 C GLY A 69 4.798 14.642 -10.805 1.00 0.00 C ATOM 841 O GLY A 69 3.929 14.212 -10.041 1.00 0.00 O ATOM 0 H GLY A 69 2.649 16.443 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.768 15.933 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.445 16.667 -11.075 1.00 0.00 H new ATOM 845 N ASN A 70 5.883 13.951 -11.105 1.00 0.00 N ATOM 846 CA ASN A 70 6.106 12.624 -10.545 1.00 0.00 C ATOM 847 C ASN A 70 6.837 12.725 -9.215 1.00 0.00 C ATOM 848 O ASN A 70 7.745 11.942 -8.924 1.00 0.00 O ATOM 849 CB ASN A 70 6.894 11.744 -11.516 1.00 0.00 C ATOM 850 CG ASN A 70 6.342 10.333 -11.582 1.00 0.00 C ATOM 851 OD1 ASN A 70 5.461 9.957 -10.806 1.00 0.00 O ATOM 852 ND2 ASN A 70 6.853 9.542 -12.509 1.00 0.00 N ATOM 0 H ASN A 70 6.620 14.281 -11.728 1.00 0.00 H new ATOM 0 HA ASN A 70 5.134 12.161 -10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.869 12.190 -12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.939 11.710 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.519 8.583 -12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.581 9.891 -13.132 1.00 0.00 H new ATOM 859 N GLY A 71 6.435 13.698 -8.413 1.00 0.00 N ATOM 860 CA GLY A 71 7.049 13.906 -7.122 1.00 0.00 C ATOM 861 C GLY A 71 6.048 13.761 -6.000 1.00 0.00 C ATOM 862 O GLY A 71 5.502 14.754 -5.515 1.00 0.00 O ATOM 0 H GLY A 71 5.686 14.353 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.858 13.189 -6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.495 14.900 -7.086 1.00 0.00 H new ATOM 866 N TRP A 72 5.787 12.521 -5.606 1.00 0.00 N ATOM 867 CA TRP A 72 4.832 12.235 -4.545 1.00 0.00 C ATOM 868 C TRP A 72 5.262 12.925 -3.253 1.00 0.00 C ATOM 869 O TRP A 72 6.392 12.752 -2.798 1.00 0.00 O ATOM 870 CB TRP A 72 4.711 10.726 -4.355 1.00 0.00 C ATOM 871 CG TRP A 72 4.321 10.007 -5.611 1.00 0.00 C ATOM 872 CD1 TRP A 72 5.150 9.353 -6.474 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.001 9.873 -6.145 1.00 0.00 C ATOM 874 NE1 TRP A 72 4.426 8.822 -7.510 1.00 0.00 N ATOM 875 CE2 TRP A 72 3.104 9.121 -7.329 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.745 10.313 -5.734 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.997 8.800 -8.106 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.643 9.992 -6.504 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.774 9.240 -7.678 1.00 0.00 C ATOM 0 H TRP A 72 6.227 11.693 -6.009 1.00 0.00 H new ATOM 0 HA TRP A 72 3.852 12.624 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.663 10.333 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.971 10.521 -3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.220 9.266 -6.358 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.811 8.290 -8.290 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.634 10.894 -4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 2.098 8.224 -9.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.336 10.327 -6.195 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.107 9.003 -8.256 1.00 0.00 H new ATOM 890 N GLY A 73 4.353 13.696 -2.664 1.00 0.00 N ATOM 891 CA GLY A 73 4.750 14.641 -1.640 1.00 0.00 C ATOM 892 C GLY A 73 4.199 14.391 -0.245 1.00 0.00 C ATOM 893 O GLY A 73 4.828 14.795 0.733 1.00 0.00 O ATOM 0 H GLY A 73 3.355 13.683 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.838 14.646 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.443 15.638 -1.956 1.00 0.00 H new ATOM 897 N GLU A 74 3.035 13.757 -0.133 1.00 0.00 N ATOM 898 CA GLU A 74 2.400 13.568 1.180 1.00 0.00 C ATOM 899 C GLU A 74 3.261 12.694 2.086 1.00 0.00 C ATOM 900 O GLU A 74 4.109 11.952 1.608 1.00 0.00 O ATOM 901 CB GLU A 74 1.006 12.963 1.028 1.00 0.00 C ATOM 902 CG GLU A 74 -0.093 14.005 0.896 1.00 0.00 C ATOM 903 CD GLU A 74 -0.442 14.670 2.215 1.00 0.00 C ATOM 904 OE1 GLU A 74 0.441 14.773 3.092 1.00 0.00 O ATOM 905 OE2 GLU A 74 -1.603 15.104 2.372 1.00 0.00 O ATOM 0 H GLU A 74 2.514 13.368 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 74 2.303 14.549 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.992 12.318 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.796 12.331 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.221 14.767 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.986 13.533 0.486 1.00 0.00 H new ATOM 912 N ILE A 75 3.049 12.780 3.396 1.00 0.00 N ATOM 913 CA ILE A 75 3.939 12.111 4.340 1.00 0.00 C ATOM 914 C ILE A 75 3.175 11.437 5.476 1.00 0.00 C ATOM 915 O ILE A 75 3.183 11.906 6.615 1.00 0.00 O ATOM 916 CB ILE A 75 4.991 13.078 4.942 1.00 0.00 C ATOM 917 CG1 ILE A 75 5.618 13.954 3.854 1.00 0.00 C ATOM 918 CG2 ILE A 75 6.078 12.292 5.661 1.00 0.00 C ATOM 919 CD1 ILE A 75 5.588 15.432 4.168 1.00 0.00 C ATOM 0 H ILE A 75 2.281 13.298 3.823 1.00 0.00 H new ATOM 0 HA ILE A 75 4.455 11.346 3.759 1.00 0.00 H new ATOM 0 HB ILE A 75 4.483 13.726 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.652 13.645 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.093 13.781 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.810 12.983 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.632 11.706 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.571 11.624 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.050 15.987 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.555 15.757 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.138 15.619 5.090 1.00 0.00 H new ATOM 931 N LYS A 76 2.493 10.350 5.158 1.00 0.00 N ATOM 932 CA LYS A 76 1.963 9.459 6.183 1.00 0.00 C ATOM 933 C LYS A 76 2.883 8.244 6.295 1.00 0.00 C ATOM 934 O LYS A 76 2.622 7.199 5.704 1.00 0.00 O ATOM 935 CB LYS A 76 0.528 9.034 5.843 1.00 0.00 C ATOM 936 CG LYS A 76 -0.149 8.196 6.919 1.00 0.00 C ATOM 937 CD LYS A 76 -0.185 8.916 8.256 1.00 0.00 C ATOM 938 CE LYS A 76 -0.591 7.977 9.382 1.00 0.00 C ATOM 939 NZ LYS A 76 -0.997 8.717 10.603 1.00 0.00 N ATOM 0 H LYS A 76 2.292 10.061 4.201 1.00 0.00 H new ATOM 0 HA LYS A 76 1.929 9.978 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.070 9.927 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.540 8.467 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.166 7.957 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.381 7.250 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.797 9.339 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.887 9.749 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.416 7.347 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.241 7.314 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.266 8.040 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.202 9.299 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.808 9.331 10.384 1.00 0.00 H new ATOM 953 N ARG A 77 3.969 8.393 7.041 1.00 0.00 N ATOM 954 CA ARG A 77 5.035 7.395 7.040 1.00 0.00 C ATOM 955 C ARG A 77 4.962 6.461 8.247 1.00 0.00 C ATOM 956 O ARG A 77 4.841 6.904 9.391 1.00 0.00 O ATOM 957 CB ARG A 77 6.400 8.092 7.005 1.00 0.00 C ATOM 958 CG ARG A 77 7.379 7.479 6.014 1.00 0.00 C ATOM 959 CD ARG A 77 8.545 8.416 5.723 1.00 0.00 C ATOM 960 NE ARG A 77 8.585 8.824 4.315 1.00 0.00 N ATOM 961 CZ ARG A 77 9.710 8.985 3.612 1.00 0.00 C ATOM 962 NH1 ARG A 77 10.889 8.742 4.162 1.00 0.00 N ATOM 963 NH2 ARG A 77 9.658 9.384 2.346 1.00 0.00 N ATOM 0 H ARG A 77 4.137 9.191 7.653 1.00 0.00 H new ATOM 0 HA ARG A 77 4.904 6.783 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.254 9.143 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.839 8.060 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.759 6.538 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.859 7.246 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.465 9.301 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.481 7.922 5.984 1.00 0.00 H new ATOM 0 HE ARG A 77 7.698 8.996 3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.945 8.429 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.742 8.868 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.756 9.569 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.520 9.505 1.814 1.00 0.00 H new ATOM 977 N ASN A 78 5.023 5.164 7.971 1.00 0.00 N ATOM 978 CA ASN A 78 5.136 4.146 9.011 1.00 0.00 C ATOM 979 C ASN A 78 6.418 3.349 8.800 1.00 0.00 C ATOM 980 O ASN A 78 7.069 3.488 7.768 1.00 0.00 O ATOM 981 CB ASN A 78 3.931 3.204 8.980 1.00 0.00 C ATOM 982 CG ASN A 78 3.532 2.704 10.357 1.00 0.00 C ATOM 983 OD1 ASN A 78 4.301 2.792 11.316 1.00 0.00 O ATOM 984 ND2 ASN A 78 2.327 2.167 10.462 1.00 0.00 N ATOM 0 H ASN A 78 4.996 4.788 7.023 1.00 0.00 H new ATOM 0 HA ASN A 78 5.163 4.638 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.084 3.721 8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.161 2.350 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.005 1.808 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.720 2.113 9.644 1.00 0.00 H new ATOM 991 N ASP A 79 6.776 2.515 9.767 1.00 0.00 N ATOM 992 CA ASP A 79 8.007 1.729 9.680 1.00 0.00 C ATOM 993 C ASP A 79 7.735 0.362 9.065 1.00 0.00 C ATOM 994 O ASP A 79 6.629 0.093 8.594 1.00 0.00 O ATOM 995 CB ASP A 79 8.646 1.545 11.062 1.00 0.00 C ATOM 996 CG ASP A 79 8.603 2.797 11.908 1.00 0.00 C ATOM 997 OD1 ASP A 79 9.379 3.735 11.638 1.00 0.00 O ATOM 998 OD2 ASP A 79 7.785 2.852 12.851 1.00 0.00 O ATOM 0 H ASP A 79 6.236 2.363 10.619 1.00 0.00 H new ATOM 0 HA ASP A 79 8.698 2.279 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.133 0.740 11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.683 1.234 10.937 1.00 0.00 H new ATOM 1003 N ILE A 80 8.745 -0.500 9.081 1.00 0.00 N ATOM 1004 CA ILE A 80 8.607 -1.848 8.541 1.00 0.00 C ATOM 1005 C ILE A 80 7.902 -2.766 9.530 1.00 0.00 C ATOM 1006 O ILE A 80 7.980 -2.564 10.746 1.00 0.00 O ATOM 1007 CB ILE A 80 9.960 -2.489 8.163 1.00 0.00 C ATOM 1008 CG1 ILE A 80 11.136 -1.673 8.703 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.060 -2.642 6.654 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.289 -2.526 9.186 1.00 0.00 C ATOM 0 H ILE A 80 9.668 -0.290 9.462 1.00 0.00 H new ATOM 0 HA ILE A 80 8.013 -1.738 7.634 1.00 0.00 H new ATOM 0 HB ILE A 80 10.009 -3.476 8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.493 -1.002 7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.787 -1.047 9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.018 -3.095 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.250 -3.279 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.984 -1.662 6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.088 -1.883 9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.947 -3.178 9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.663 -3.132 8.361 1.00 0.00 H new ATOM 1022 N ASP A 81 7.232 -3.775 8.979 1.00 0.00 N ATOM 1023 CA ASP A 81 6.414 -4.716 9.742 1.00 0.00 C ATOM 1024 C ASP A 81 5.419 -3.962 10.610 1.00 0.00 C ATOM 1025 O ASP A 81 5.243 -4.252 11.794 1.00 0.00 O ATOM 1026 CB ASP A 81 7.279 -5.672 10.566 1.00 0.00 C ATOM 1027 CG ASP A 81 7.355 -7.046 9.923 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.411 -7.846 10.100 1.00 0.00 O ATOM 1029 OD2 ASP A 81 8.349 -7.324 9.213 1.00 0.00 O ATOM 0 H ASP A 81 7.242 -3.965 7.977 1.00 0.00 H new ATOM 0 HA ASP A 81 5.852 -5.331 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.283 -5.260 10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.868 -5.762 11.572 1.00 0.00 H new ATOM 1034 N LYS A 82 4.767 -2.990 9.989 1.00 0.00 N ATOM 1035 CA LYS A 82 3.825 -2.126 10.681 1.00 0.00 C ATOM 1036 C LYS A 82 2.585 -1.904 9.823 1.00 0.00 C ATOM 1037 O LYS A 82 2.677 -1.794 8.595 1.00 0.00 O ATOM 1038 CB LYS A 82 4.481 -0.784 11.024 1.00 0.00 C ATOM 1039 CG LYS A 82 4.553 -0.502 12.518 1.00 0.00 C ATOM 1040 CD LYS A 82 5.913 0.046 12.922 1.00 0.00 C ATOM 1041 CE LYS A 82 5.956 0.404 14.403 1.00 0.00 C ATOM 1042 NZ LYS A 82 7.201 1.131 14.773 1.00 0.00 N ATOM 0 H LYS A 82 4.876 -2.780 8.997 1.00 0.00 H new ATOM 0 HA LYS A 82 3.526 -2.612 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.490 -0.767 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.924 0.017 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.777 0.213 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.351 -1.419 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.683 -0.693 12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.141 0.930 12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.091 1.020 14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.880 -0.507 14.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.185 1.353 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.027 0.535 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.263 2.014 14.227 1.00 0.00 H new ATOM 1056 N PRO A 83 1.406 -1.863 10.456 1.00 0.00 N ATOM 1057 CA PRO A 83 0.141 -1.687 9.754 1.00 0.00 C ATOM 1058 C PRO A 83 -0.199 -0.224 9.465 1.00 0.00 C ATOM 1059 O PRO A 83 -0.351 0.588 10.379 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.868 -2.287 10.730 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.285 -2.050 12.082 1.00 0.00 C ATOM 1062 CD PRO A 83 1.213 -2.012 11.912 1.00 0.00 C ATOM 0 HA PRO A 83 0.157 -2.155 8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.843 -1.811 10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.013 -3.351 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.650 -1.112 12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.575 -2.842 12.772 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.655 -1.180 12.460 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.680 -2.924 12.285 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.304 0.106 8.188 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.836 1.396 7.777 1.00 0.00 C ATOM 1072 C LEU A 84 -2.354 1.316 7.800 1.00 0.00 C ATOM 1073 O LEU A 84 -2.950 0.664 6.952 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.348 1.764 6.367 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.015 3.246 6.133 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -1.171 4.142 6.546 1.00 0.00 C ATOM 1077 CD2 LEU A 84 1.247 3.631 6.881 1.00 0.00 C ATOM 0 H LEU A 84 -0.028 -0.502 7.417 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.488 2.169 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.541 1.173 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.114 1.467 5.650 1.00 0.00 H new ATOM 0 HG LEU A 84 0.154 3.387 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.905 5.184 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.055 3.888 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.383 3.997 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.468 4.684 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.102 3.465 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.079 3.021 6.529 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.965 1.940 8.793 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.413 1.896 8.938 1.00 0.00 C ATOM 1091 C LYS A 85 -5.082 2.917 8.018 1.00 0.00 C ATOM 1092 O LYS A 85 -4.410 3.754 7.416 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.802 2.148 10.395 1.00 0.00 C ATOM 1094 CG LYS A 85 -4.590 0.941 11.296 1.00 0.00 C ATOM 1095 CD LYS A 85 -4.664 1.316 12.770 1.00 0.00 C ATOM 1096 CE LYS A 85 -4.932 0.098 13.642 1.00 0.00 C ATOM 1097 NZ LYS A 85 -5.617 0.458 14.911 1.00 0.00 N ATOM 0 H LYS A 85 -2.483 2.482 9.510 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.761 0.904 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.219 2.985 10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.850 2.444 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.344 0.185 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.619 0.494 11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.728 1.784 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.453 2.053 12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.544 -0.615 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.989 -0.400 13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.780 -0.401 15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.022 1.118 15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.529 0.910 14.697 1.00 0.00 H new ATOM 1111 N TYR A 86 -6.406 2.859 7.933 1.00 0.00 N ATOM 1112 CA TYR A 86 -7.149 3.717 7.021 1.00 0.00 C ATOM 1113 C TYR A 86 -8.331 4.385 7.723 1.00 0.00 C ATOM 1114 O TYR A 86 -8.699 4.001 8.834 1.00 0.00 O ATOM 1115 CB TYR A 86 -7.615 2.903 5.809 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.996 2.292 5.954 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -9.216 1.214 6.804 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -10.077 2.793 5.242 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -10.473 0.655 6.939 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -11.338 2.240 5.372 1.00 0.00 C ATOM 1121 CZ TYR A 86 -11.529 1.173 6.222 1.00 0.00 C ATOM 1122 OH TYR A 86 -12.785 0.621 6.356 1.00 0.00 O ATOM 0 H TYR A 86 -6.986 2.227 8.485 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.488 4.513 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.607 3.547 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.896 2.105 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.391 0.806 7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.931 3.629 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.626 -0.183 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.168 2.642 4.810 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.417 1.103 5.783 1.00 0.00 H new ATOM 1132 N GLU A 87 -8.918 5.382 7.070 1.00 0.00 N ATOM 1133 CA GLU A 87 -10.035 6.128 7.639 1.00 0.00 C ATOM 1134 C GLU A 87 -11.344 5.755 6.951 1.00 0.00 C ATOM 1135 O GLU A 87 -12.224 5.145 7.559 1.00 0.00 O ATOM 1136 CB GLU A 87 -9.779 7.635 7.511 1.00 0.00 C ATOM 1137 CG GLU A 87 -10.979 8.494 7.868 1.00 0.00 C ATOM 1138 CD GLU A 87 -10.592 9.766 8.591 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -9.814 10.565 8.029 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -11.077 9.977 9.723 1.00 0.00 O ATOM 0 H GLU A 87 -8.637 5.694 6.140 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.120 5.869 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.944 7.908 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.477 7.857 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.522 8.749 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.660 7.918 8.494 1.00 0.00 H new ATOM 1147 N ASP A 88 -11.459 6.111 5.678 1.00 0.00 N ATOM 1148 CA ASP A 88 -12.678 5.873 4.914 1.00 0.00 C ATOM 1149 C ASP A 88 -12.328 5.320 3.540 1.00 0.00 C ATOM 1150 O ASP A 88 -11.157 5.161 3.215 1.00 0.00 O ATOM 1151 CB ASP A 88 -13.492 7.167 4.773 1.00 0.00 C ATOM 1152 CG ASP A 88 -14.988 6.915 4.717 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -15.456 6.304 3.735 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -15.706 7.336 5.651 1.00 0.00 O ATOM 0 H ASP A 88 -10.717 6.569 5.149 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.286 5.143 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.270 7.825 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.182 7.690 3.868 1.00 0.00 H new ATOM 1159 N TYR A 89 -13.343 5.053 2.734 1.00 0.00 N ATOM 1160 CA TYR A 89 -13.147 4.424 1.434 1.00 0.00 C ATOM 1161 C TYR A 89 -13.139 5.449 0.308 1.00 0.00 C ATOM 1162 O TYR A 89 -12.967 5.101 -0.860 1.00 0.00 O ATOM 1163 CB TYR A 89 -14.254 3.402 1.183 1.00 0.00 C ATOM 1164 CG TYR A 89 -13.939 2.026 1.711 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -12.674 1.476 1.555 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -14.909 1.273 2.361 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -12.385 0.215 2.031 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -14.625 0.010 2.844 1.00 0.00 C ATOM 1169 CZ TYR A 89 -13.362 -0.513 2.674 1.00 0.00 C ATOM 1170 OH TYR A 89 -13.075 -1.775 3.135 1.00 0.00 O ATOM 0 H TYR A 89 -14.316 5.263 2.957 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.176 3.929 1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -15.175 3.757 1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -14.440 3.336 0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.905 2.044 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.900 1.681 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.397 -0.201 1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -15.387 -0.563 3.351 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.869 -2.155 3.566 1.00 0.00 H new ATOM 1180 N TYR A 90 -13.320 6.712 0.663 1.00 0.00 N ATOM 1181 CA TYR A 90 -13.401 7.775 -0.328 1.00 0.00 C ATOM 1182 C TYR A 90 -12.030 8.084 -0.920 1.00 0.00 C ATOM 1183 O TYR A 90 -11.293 8.937 -0.420 1.00 0.00 O ATOM 1184 CB TYR A 90 -14.023 9.028 0.284 1.00 0.00 C ATOM 1185 CG TYR A 90 -15.532 9.024 0.218 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -16.286 8.348 1.169 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -16.202 9.681 -0.805 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -17.665 8.328 1.102 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -17.580 9.668 -0.875 1.00 0.00 C ATOM 1190 CZ TYR A 90 -18.305 8.989 0.078 1.00 0.00 C ATOM 1191 OH TYR A 90 -19.678 8.969 0.007 1.00 0.00 O ATOM 0 H TYR A 90 -13.414 7.026 1.629 1.00 0.00 H new ATOM 0 HA TYR A 90 -14.042 7.432 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.710 9.113 1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.643 9.908 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -15.786 7.830 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -15.636 10.210 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.238 7.797 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.087 10.188 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.973 9.484 -0.773 1.00 0.00 H new ATOM 1201 N THR A 91 -11.698 7.368 -1.980 1.00 0.00 N ATOM 1202 CA THR A 91 -10.445 7.565 -2.685 1.00 0.00 C ATOM 1203 C THR A 91 -10.614 8.604 -3.792 1.00 0.00 C ATOM 1204 O THR A 91 -9.644 9.212 -4.248 1.00 0.00 O ATOM 1205 CB THR A 91 -9.959 6.239 -3.297 1.00 0.00 C ATOM 1206 OG1 THR A 91 -10.970 5.229 -3.124 1.00 0.00 O ATOM 1207 CG2 THR A 91 -8.663 5.781 -2.646 1.00 0.00 C ATOM 0 H THR A 91 -12.288 6.636 -2.375 1.00 0.00 H new ATOM 0 HA THR A 91 -9.704 7.922 -1.969 1.00 0.00 H new ATOM 0 HB THR A 91 -9.773 6.398 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.660 4.386 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.341 4.842 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.893 6.538 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.824 5.634 -1.578 1.00 0.00 H new ATOM 1215 N SER A 92 -11.855 8.802 -4.212 1.00 0.00 N ATOM 1216 CA SER A 92 -12.173 9.758 -5.257 1.00 0.00 C ATOM 1217 C SER A 92 -11.771 11.171 -4.845 1.00 0.00 C ATOM 1218 O SER A 92 -12.218 11.680 -3.816 1.00 0.00 O ATOM 1219 CB SER A 92 -13.669 9.697 -5.552 1.00 0.00 C ATOM 1220 OG SER A 92 -14.270 8.612 -4.859 1.00 0.00 O ATOM 0 H SER A 92 -12.665 8.306 -3.839 1.00 0.00 H new ATOM 0 HA SER A 92 -11.612 9.501 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.142 10.633 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.830 9.585 -6.624 1.00 0.00 H new ATOM 0 HG SER A 92 -15.229 8.588 -5.058 1.00 0.00 H new ATOM 1226 N GLY A 93 -10.909 11.791 -5.640 1.00 0.00 N ATOM 1227 CA GLY A 93 -10.480 13.138 -5.343 1.00 0.00 C ATOM 1228 C GLY A 93 -9.059 13.416 -5.789 1.00 0.00 C ATOM 1229 O GLY A 93 -8.723 14.556 -6.116 1.00 0.00 O ATOM 0 H GLY A 93 -10.502 11.384 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.153 13.844 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.559 13.311 -4.270 1.00 0.00 H new ATOM 1233 N LEU A 94 -8.225 12.381 -5.807 1.00 0.00 N ATOM 1234 CA LEU A 94 -6.826 12.537 -6.191 1.00 0.00 C ATOM 1235 C LEU A 94 -6.198 11.184 -6.506 1.00 0.00 C ATOM 1236 O LEU A 94 -6.821 10.144 -6.300 1.00 0.00 O ATOM 1237 CB LEU A 94 -6.038 13.227 -5.068 1.00 0.00 C ATOM 1238 CG LEU A 94 -5.035 14.292 -5.526 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -5.576 15.069 -6.716 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -4.704 15.235 -4.380 1.00 0.00 C ATOM 0 H LEU A 94 -8.492 11.428 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.788 13.157 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.747 13.691 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.500 12.465 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.120 13.788 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.847 15.819 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.762 14.384 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.507 15.562 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.991 15.985 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.615 15.728 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.269 14.668 -3.557 1.00 0.00 H new ATOM 1252 N SER A 95 -4.976 11.210 -7.024 1.00 0.00 N ATOM 1253 CA SER A 95 -4.218 9.991 -7.267 1.00 0.00 C ATOM 1254 C SER A 95 -3.436 9.609 -6.014 1.00 0.00 C ATOM 1255 O SER A 95 -2.707 10.431 -5.452 1.00 0.00 O ATOM 1256 CB SER A 95 -3.271 10.189 -8.450 1.00 0.00 C ATOM 1257 OG SER A 95 -3.906 10.927 -9.484 1.00 0.00 O ATOM 0 H SER A 95 -4.488 12.067 -7.285 1.00 0.00 H new ATOM 0 HA SER A 95 -4.908 9.183 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.374 10.713 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.951 9.220 -8.832 1.00 0.00 H new ATOM 0 HG SER A 95 -3.283 11.045 -10.232 1.00 0.00 H new ATOM 1263 N TRP A 96 -3.593 8.369 -5.581 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.012 7.919 -4.327 1.00 0.00 C ATOM 1265 C TRP A 96 -1.839 6.987 -4.560 1.00 0.00 C ATOM 1266 O TRP A 96 -1.740 6.360 -5.616 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.060 7.194 -3.505 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.218 8.045 -3.113 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.346 8.270 -3.841 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.371 8.772 -1.893 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.196 9.090 -3.149 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.623 9.411 -1.950 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.574 8.946 -0.754 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.100 10.205 -0.919 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.055 9.734 0.267 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.306 10.351 0.180 1.00 0.00 C ATOM 0 H TRP A 96 -4.120 7.654 -6.082 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.655 8.800 -3.793 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.426 6.340 -4.074 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.591 6.799 -2.604 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.542 7.861 -4.821 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.108 9.409 -3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.606 8.473 -0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.063 10.689 -0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.454 9.878 1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.652 10.958 1.003 1.00 0.00 H new ATOM 1287 N ILE A 97 -0.945 6.912 -3.587 1.00 0.00 N ATOM 1288 CA ILE A 97 0.195 6.028 -3.689 1.00 0.00 C ATOM 1289 C ILE A 97 0.689 5.550 -2.309 1.00 0.00 C ATOM 1290 O ILE A 97 0.756 6.334 -1.354 1.00 0.00 O ATOM 1291 CB ILE A 97 1.330 6.734 -4.483 1.00 0.00 C ATOM 1292 CG1 ILE A 97 2.058 5.752 -5.393 1.00 0.00 C ATOM 1293 CG2 ILE A 97 2.313 7.437 -3.567 1.00 0.00 C ATOM 1294 CD1 ILE A 97 1.340 5.489 -6.699 1.00 0.00 C ATOM 0 H ILE A 97 -0.990 7.452 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.116 5.133 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 97 0.856 7.495 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.054 6.139 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.189 4.808 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.088 7.916 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.788 8.192 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.770 6.709 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.916 4.781 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.354 5.073 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.232 6.424 -7.250 1.00 0.00 H new ATOM 1306 N TRP A 98 0.976 4.253 -2.192 1.00 0.00 N ATOM 1307 CA TRP A 98 1.880 3.765 -1.155 1.00 0.00 C ATOM 1308 C TRP A 98 3.274 4.049 -1.678 1.00 0.00 C ATOM 1309 O TRP A 98 3.467 4.168 -2.882 1.00 0.00 O ATOM 1310 CB TRP A 98 1.842 2.240 -0.889 1.00 0.00 C ATOM 1311 CG TRP A 98 0.591 1.614 -0.322 1.00 0.00 C ATOM 1312 CD1 TRP A 98 0.082 0.401 -0.702 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.273 2.094 0.715 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -1.050 0.113 0.006 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.292 1.130 0.880 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.306 3.235 1.514 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.318 1.273 1.802 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -1.330 3.369 2.432 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.322 2.395 2.565 1.00 0.00 C ATOM 0 H TRP A 98 0.597 3.527 -2.800 1.00 0.00 H new ATOM 0 HA TRP A 98 1.590 4.253 -0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.059 1.739 -1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.661 2.007 -0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 98 0.515 -0.239 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.621 -0.726 -0.102 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.452 3.998 1.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.085 0.520 1.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -1.364 4.247 3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.109 2.538 3.291 1.00 0.00 H new ATOM 1330 N LYS A 99 4.229 4.214 -0.817 1.00 0.00 N ATOM 1331 CA LYS A 99 5.598 4.301 -1.267 1.00 0.00 C ATOM 1332 C LYS A 99 6.487 3.502 -0.341 1.00 0.00 C ATOM 1333 O LYS A 99 6.815 3.946 0.758 1.00 0.00 O ATOM 1334 CB LYS A 99 6.067 5.759 -1.349 1.00 0.00 C ATOM 1335 CG LYS A 99 6.098 6.317 -2.766 1.00 0.00 C ATOM 1336 CD LYS A 99 6.218 7.833 -2.764 1.00 0.00 C ATOM 1337 CE LYS A 99 7.469 8.306 -3.482 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.115 9.438 -2.767 1.00 0.00 N ATOM 0 H LYS A 99 4.097 4.291 0.191 1.00 0.00 H new ATOM 0 HA LYS A 99 5.661 3.883 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.408 6.377 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.065 5.835 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.938 5.885 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.191 6.023 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.340 8.267 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.232 8.194 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.174 7.479 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.213 8.614 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.766 9.930 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.386 10.102 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.646 9.075 -1.950 1.00 0.00 H new ATOM 1352 N ILE A 100 6.836 2.296 -0.765 1.00 0.00 N ATOM 1353 CA ILE A 100 7.752 1.482 0.002 1.00 0.00 C ATOM 1354 C ILE A 100 9.168 2.011 -0.148 1.00 0.00 C ATOM 1355 O ILE A 100 9.817 1.787 -1.168 1.00 0.00 O ATOM 1356 CB ILE A 100 7.668 -0.011 -0.388 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.406 -0.616 0.224 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.900 -0.777 0.082 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.805 -1.722 -0.600 1.00 0.00 C ATOM 0 H ILE A 100 6.500 1.868 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 100 7.462 1.547 1.051 1.00 0.00 H new ATOM 0 HB ILE A 100 7.627 -0.088 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.643 -1.001 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.664 0.171 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.810 -1.824 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.791 -0.349 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.980 -0.706 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.913 -2.102 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.536 -1.338 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.530 -2.528 -0.711 1.00 0.00 H new ATOM 1371 N LYS A 101 9.607 2.768 0.852 1.00 0.00 N ATOM 1372 CA LYS A 101 10.941 3.351 0.852 1.00 0.00 C ATOM 1373 C LYS A 101 11.919 2.444 1.580 1.00 0.00 C ATOM 1374 O LYS A 101 12.028 2.493 2.804 1.00 0.00 O ATOM 1375 CB LYS A 101 10.922 4.732 1.515 1.00 0.00 C ATOM 1376 CG LYS A 101 12.232 5.495 1.372 1.00 0.00 C ATOM 1377 CD LYS A 101 12.736 6.004 2.712 1.00 0.00 C ATOM 1378 CE LYS A 101 13.942 5.208 3.195 1.00 0.00 C ATOM 1379 NZ LYS A 101 15.217 5.943 2.986 1.00 0.00 N ATOM 0 H LYS A 101 9.052 2.993 1.678 1.00 0.00 H new ATOM 0 HA LYS A 101 11.265 3.460 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.117 5.324 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.694 4.614 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.984 4.846 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.091 6.336 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.005 7.057 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.937 5.940 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.825 4.980 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.982 4.255 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.012 5.358 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.335 6.153 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.197 6.833 3.524 1.00 0.00 H new ATOM 1393 N ASN A 102 12.625 1.622 0.825 1.00 0.00 N ATOM 1394 CA ASN A 102 13.589 0.695 1.403 1.00 0.00 C ATOM 1395 C ASN A 102 14.930 1.382 1.614 1.00 0.00 C ATOM 1396 O ASN A 102 15.227 2.402 0.986 1.00 0.00 O ATOM 1397 CB ASN A 102 13.762 -0.543 0.512 1.00 0.00 C ATOM 1398 CG ASN A 102 14.412 -0.235 -0.825 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.294 0.867 -1.353 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.100 -1.214 -1.388 1.00 0.00 N ATOM 0 H ASN A 102 12.551 1.575 -0.191 1.00 0.00 H new ATOM 0 HA ASN A 102 13.205 0.370 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 102 14.366 -1.281 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.786 -0.996 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.553 -1.066 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.177 -2.117 -0.921 1.00 0.00 H new ATOM 1407 N ASN A 103 15.730 0.832 2.512 1.00 0.00 N ATOM 1408 CA ASN A 103 17.051 1.379 2.777 1.00 0.00 C ATOM 1409 C ASN A 103 18.122 0.468 2.210 1.00 0.00 C ATOM 1410 O ASN A 103 19.297 0.824 2.161 1.00 0.00 O ATOM 1411 CB ASN A 103 17.266 1.570 4.276 1.00 0.00 C ATOM 1412 CG ASN A 103 16.939 2.977 4.729 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.070 3.938 3.972 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.521 3.110 5.971 1.00 0.00 N ATOM 0 H ASN A 103 15.490 0.011 3.068 1.00 0.00 H new ATOM 0 HA ASN A 103 17.121 2.352 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.645 0.861 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.303 1.343 4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.293 4.035 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.425 2.288 6.568 1.00 0.00 H new ATOM 1421 N SER A 104 17.708 -0.713 1.785 1.00 0.00 N ATOM 1422 CA SER A 104 18.613 -1.656 1.165 1.00 0.00 C ATOM 1423 C SER A 104 18.910 -1.232 -0.276 1.00 0.00 C ATOM 1424 O SER A 104 18.003 -0.873 -1.028 1.00 0.00 O ATOM 1425 CB SER A 104 18.000 -3.054 1.213 1.00 0.00 C ATOM 1426 OG SER A 104 16.800 -3.051 1.975 1.00 0.00 O ATOM 0 H SER A 104 16.745 -1.040 1.860 1.00 0.00 H new ATOM 0 HA SER A 104 19.557 -1.671 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.793 -3.400 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.712 -3.754 1.650 1.00 0.00 H new ATOM 0 HG SER A 104 17.002 -3.289 2.904 1.00 0.00 H new ATOM 1432 N SER A 105 20.181 -1.260 -0.649 1.00 0.00 N ATOM 1433 CA SER A 105 20.602 -0.807 -1.971 1.00 0.00 C ATOM 1434 C SER A 105 20.481 -1.929 -3.001 1.00 0.00 C ATOM 1435 O SER A 105 20.538 -1.691 -4.210 1.00 0.00 O ATOM 1436 CB SER A 105 22.037 -0.289 -1.904 1.00 0.00 C ATOM 1437 OG SER A 105 22.316 0.236 -0.614 1.00 0.00 O ATOM 0 H SER A 105 20.941 -1.592 -0.055 1.00 0.00 H new ATOM 0 HA SER A 105 19.945 0.003 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.733 -1.096 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.187 0.484 -2.658 1.00 0.00 H new ATOM 0 HG SER A 105 23.240 0.562 -0.586 1.00 0.00 H new ATOM 1443 N GLU A 106 20.308 -3.148 -2.512 1.00 0.00 N ATOM 1444 CA GLU A 106 20.110 -4.298 -3.380 1.00 0.00 C ATOM 1445 C GLU A 106 18.626 -4.492 -3.654 1.00 0.00 C ATOM 1446 O GLU A 106 17.786 -3.924 -2.951 1.00 0.00 O ATOM 1447 CB GLU A 106 20.688 -5.560 -2.734 1.00 0.00 C ATOM 1448 CG GLU A 106 22.171 -5.760 -2.998 1.00 0.00 C ATOM 1449 CD GLU A 106 22.467 -6.142 -4.435 1.00 0.00 C ATOM 1450 OE1 GLU A 106 21.560 -6.028 -5.289 1.00 0.00 O ATOM 1451 OE2 GLU A 106 23.608 -6.554 -4.725 1.00 0.00 O ATOM 0 H GLU A 106 20.301 -3.366 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 106 20.628 -4.117 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.523 -5.514 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.142 -6.428 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.706 -4.842 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.552 -6.537 -2.335 1.00 0.00 H new ATOM 1458 N THR A 107 18.302 -5.278 -4.674 1.00 0.00 N ATOM 1459 CA THR A 107 16.913 -5.587 -4.983 1.00 0.00 C ATOM 1460 C THR A 107 16.263 -6.314 -3.811 1.00 0.00 C ATOM 1461 O THR A 107 16.557 -7.483 -3.547 1.00 0.00 O ATOM 1462 CB THR A 107 16.810 -6.453 -6.252 1.00 0.00 C ATOM 1463 OG1 THR A 107 18.102 -6.565 -6.867 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.819 -5.852 -7.237 1.00 0.00 C ATOM 0 H THR A 107 18.981 -5.712 -5.299 1.00 0.00 H new ATOM 0 HA THR A 107 16.390 -4.648 -5.161 1.00 0.00 H new ATOM 0 HB THR A 107 16.455 -7.444 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.413 -5.676 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.763 -6.481 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.835 -5.792 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 107 16.148 -4.852 -7.520 1.00 0.00 H new ATOM 1472 N SER A 108 15.397 -5.613 -3.099 1.00 0.00 N ATOM 1473 CA SER A 108 14.814 -6.140 -1.881 1.00 0.00 C ATOM 1474 C SER A 108 13.385 -6.608 -2.119 1.00 0.00 C ATOM 1475 O SER A 108 12.785 -6.305 -3.152 1.00 0.00 O ATOM 1476 CB SER A 108 14.849 -5.072 -0.790 1.00 0.00 C ATOM 1477 OG SER A 108 15.597 -3.944 -1.210 1.00 0.00 O ATOM 0 H SER A 108 15.083 -4.675 -3.346 1.00 0.00 H new ATOM 0 HA SER A 108 15.399 -7.001 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.832 -4.767 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.288 -5.487 0.117 1.00 0.00 H new ATOM 0 HG SER A 108 16.391 -4.242 -1.701 1.00 0.00 H new ATOM 1483 N ASN A 109 12.847 -7.345 -1.164 1.00 0.00 N ATOM 1484 CA ASN A 109 11.490 -7.859 -1.266 1.00 0.00 C ATOM 1485 C ASN A 109 10.621 -7.301 -0.144 1.00 0.00 C ATOM 1486 O ASN A 109 11.081 -7.145 0.989 1.00 0.00 O ATOM 1487 CB ASN A 109 11.501 -9.399 -1.236 1.00 0.00 C ATOM 1488 CG ASN A 109 10.526 -9.997 -0.233 1.00 0.00 C ATOM 1489 OD1 ASN A 109 10.840 -10.143 0.948 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.347 -10.366 -0.699 1.00 0.00 N ATOM 0 H ASN A 109 13.331 -7.603 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 109 11.064 -7.536 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.262 -9.775 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.508 -9.742 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.661 -10.788 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.122 -10.229 -1.685 1.00 0.00 H new ATOM 1497 N TYR A 110 9.378 -6.978 -0.468 1.00 0.00 N ATOM 1498 CA TYR A 110 8.432 -6.505 0.528 1.00 0.00 C ATOM 1499 C TYR A 110 7.211 -7.413 0.565 1.00 0.00 C ATOM 1500 O TYR A 110 6.940 -8.145 -0.388 1.00 0.00 O ATOM 1501 CB TYR A 110 8.013 -5.051 0.251 1.00 0.00 C ATOM 1502 CG TYR A 110 7.270 -4.831 -1.057 1.00 0.00 C ATOM 1503 CD1 TYR A 110 5.935 -5.194 -1.192 1.00 0.00 C ATOM 1504 CD2 TYR A 110 7.899 -4.243 -2.151 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.252 -4.985 -2.373 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.221 -4.030 -3.334 1.00 0.00 C ATOM 1507 CZ TYR A 110 5.898 -4.403 -3.440 1.00 0.00 C ATOM 1508 OH TYR A 110 5.221 -4.194 -4.619 1.00 0.00 O ATOM 0 H TYR A 110 9.002 -7.035 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 110 8.922 -6.532 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.382 -4.709 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.906 -4.425 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.422 -5.648 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.935 -3.949 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.216 -5.277 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.725 -3.573 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 110 4.658 -3.396 -4.536 1.00 0.00 H new ATOM 1518 N SER A 111 6.483 -7.371 1.668 1.00 0.00 N ATOM 1519 CA SER A 111 5.260 -8.146 1.805 1.00 0.00 C ATOM 1520 C SER A 111 4.131 -7.247 2.298 1.00 0.00 C ATOM 1521 O SER A 111 3.984 -7.019 3.497 1.00 0.00 O ATOM 1522 CB SER A 111 5.487 -9.312 2.769 1.00 0.00 C ATOM 1523 OG SER A 111 6.848 -9.373 3.170 1.00 0.00 O ATOM 0 H SER A 111 6.718 -6.807 2.485 1.00 0.00 H new ATOM 0 HA SER A 111 4.979 -8.553 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.849 -9.196 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.202 -10.248 2.289 1.00 0.00 H new ATOM 0 HG SER A 111 6.974 -10.124 3.787 1.00 0.00 H new ATOM 1529 N LEU A 112 3.349 -6.720 1.369 1.00 0.00 N ATOM 1530 CA LEU A 112 2.304 -5.759 1.707 1.00 0.00 C ATOM 1531 C LEU A 112 1.004 -6.463 2.076 1.00 0.00 C ATOM 1532 O LEU A 112 0.272 -6.923 1.205 1.00 0.00 O ATOM 1533 CB LEU A 112 2.068 -4.804 0.534 1.00 0.00 C ATOM 1534 CG LEU A 112 2.474 -3.351 0.780 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.001 -2.473 -0.366 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.914 -2.850 2.105 1.00 0.00 C ATOM 0 H LEU A 112 3.416 -6.939 0.375 1.00 0.00 H new ATOM 0 HA LEU A 112 2.638 -5.189 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.617 -5.175 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.010 -4.829 0.274 1.00 0.00 H new ATOM 0 HG LEU A 112 3.562 -3.301 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.296 -1.441 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.451 -2.816 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.915 -2.531 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.216 -1.814 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.826 -2.912 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.299 -3.465 2.919 1.00 0.00 H new ATOM 1548 N ASP A 113 0.714 -6.530 3.366 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.492 -7.195 3.840 1.00 0.00 C ATOM 1550 C ASP A 113 -1.680 -6.259 3.757 1.00 0.00 C ATOM 1551 O ASP A 113 -2.005 -5.562 4.720 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.329 -7.661 5.290 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.109 -9.153 5.407 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -0.186 -9.852 4.379 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.157 -9.630 6.532 1.00 0.00 O ATOM 0 H ASP A 113 1.296 -6.133 4.104 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.661 -8.063 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.514 -7.138 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.217 -7.384 5.857 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.333 -6.248 2.615 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.521 -5.441 2.447 1.00 0.00 C ATOM 1562 C ALA A 114 -4.740 -6.329 2.594 1.00 0.00 C ATOM 1563 O ALA A 114 -4.999 -7.189 1.758 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.513 -4.722 1.099 1.00 0.00 C ATOM 0 H ALA A 114 -2.062 -6.787 1.792 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.547 -4.668 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.418 -4.123 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.640 -4.072 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.475 -5.457 0.295 1.00 0.00 H new ATOM 1570 N THR A 115 -5.482 -6.134 3.666 1.00 0.00 N ATOM 1571 CA THR A 115 -6.611 -6.990 3.958 1.00 0.00 C ATOM 1572 C THR A 115 -7.874 -6.440 3.313 1.00 0.00 C ATOM 1573 O THR A 115 -8.530 -5.555 3.857 1.00 0.00 O ATOM 1574 CB THR A 115 -6.808 -7.139 5.476 1.00 0.00 C ATOM 1575 OG1 THR A 115 -5.536 -7.056 6.138 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.477 -8.464 5.811 1.00 0.00 C ATOM 0 H THR A 115 -5.323 -5.392 4.347 1.00 0.00 H new ATOM 0 HA THR A 115 -6.406 -7.976 3.542 1.00 0.00 H new ATOM 0 HB THR A 115 -7.455 -6.332 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.520 -6.266 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.605 -8.544 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.452 -8.512 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.854 -9.286 5.457 1.00 0.00 H new