USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 22 LYS NZ :NH3+ 142:sc= 0.0438 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.0434 X(o=0.087,f=-0.38) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -12.8! C(o=-13!,f=-24!) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0574) USER MOD Single : A 10 SER OG : rot 66:sc= 0.0141 USER MOD Single : A 20 THR OG1 : rot 180:sc= -4.36! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -28:sc= 0.399 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 37 SER OG : rot 180:sc= -0.196 USER MOD Single : A 39 CYS SG : rot 95:sc= -1.4 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 15:sc= 0.149 USER MOD Single : A 49 THR OG1 : rot 31:sc= 0.0907 USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.502 USER MOD Single : A 52 SER OG : rot -136:sc= 1.19 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 141:sc= -0.216! USER MOD Single : A 64 ASN : amide:sc= -1.18 K(o=-1.2,f=-8.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 176:sc= -2.93! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.987 8.185 4.413 1.00 2.87 N ATOM 28 CA GLN A 3 13.566 8.429 4.637 1.00 2.29 C ATOM 29 C GLN A 3 12.718 7.348 3.979 1.00 1.97 C ATOM 30 O GLN A 3 13.134 6.731 2.999 1.00 2.17 O ATOM 31 CB GLN A 3 13.168 9.804 4.098 1.00 2.41 C ATOM 32 CG GLN A 3 13.438 9.977 2.613 1.00 3.17 C ATOM 33 CD GLN A 3 12.720 11.178 2.028 1.00 3.60 C ATOM 34 OE1 GLN A 3 13.136 12.320 2.224 1.00 3.44 O ATOM 35 NE2 GLN A 3 11.635 10.924 1.307 1.00 4.47 N ATOM 0 HA GLN A 3 13.386 8.404 5.712 1.00 2.29 H new ATOM 0 HB2 GLN A 3 12.107 9.966 4.287 1.00 2.41 H new ATOM 0 HB3 GLN A 3 13.711 10.572 4.649 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.511 10.085 2.452 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.125 9.077 2.083 1.00 3.17 H new ATOM 0 HE21 GLN A 3 11.327 9.961 1.171 1.00 4.47 H new ATOM 0 HE22 GLN A 3 11.109 11.692 0.889 1.00 4.47 H new ATOM 44 N VAL A 4 11.528 7.120 4.524 1.00 1.57 N ATOM 45 CA VAL A 4 10.628 6.110 3.984 1.00 1.29 C ATOM 46 C VAL A 4 9.437 6.744 3.278 1.00 1.28 C ATOM 47 O VAL A 4 8.900 7.760 3.720 1.00 1.44 O ATOM 48 CB VAL A 4 10.107 5.156 5.083 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.215 4.238 5.573 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.504 5.940 6.239 1.00 1.57 C ATOM 0 H VAL A 4 11.166 7.619 5.336 1.00 1.57 H new ATOM 0 HA VAL A 4 11.212 5.536 3.264 1.00 1.29 H new ATOM 0 HB VAL A 4 9.322 4.537 4.648 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.824 3.576 6.346 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.589 3.642 4.740 1.00 1.39 H new ATOM 0 HG13 VAL A 4 12.028 4.836 5.985 1.00 1.39 H new ATOM 0 HG21 VAL A 4 9.144 5.247 7.000 1.00 1.57 H new ATOM 0 HG22 VAL A 4 10.263 6.592 6.671 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.672 6.543 5.875 1.00 1.57 H new ATOM 60 N VAL A 5 9.020 6.115 2.187 1.00 1.14 N ATOM 61 CA VAL A 5 7.880 6.576 1.412 1.00 1.22 C ATOM 62 C VAL A 5 6.650 5.767 1.796 1.00 1.03 C ATOM 63 O VAL A 5 6.734 4.555 1.991 1.00 0.92 O ATOM 64 CB VAL A 5 8.132 6.435 -0.102 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.356 7.241 -0.511 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.294 4.969 -0.487 1.00 1.70 C ATOM 0 H VAL A 5 9.462 5.274 1.817 1.00 1.14 H new ATOM 0 HA VAL A 5 7.724 7.632 1.633 1.00 1.22 H new ATOM 0 HB VAL A 5 7.267 6.829 -0.636 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.522 7.132 -1.583 1.00 1.79 H new ATOM 0 HG12 VAL A 5 9.195 8.293 -0.274 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.229 6.877 0.030 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.471 4.892 -1.560 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.140 4.543 0.052 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.387 4.423 -0.229 1.00 1.70 H new ATOM 76 N GLN A 6 5.517 6.437 1.942 1.00 1.03 N ATOM 77 CA GLN A 6 4.295 5.760 2.346 1.00 0.85 C ATOM 78 C GLN A 6 3.265 5.677 1.217 1.00 0.83 C ATOM 79 O GLN A 6 3.127 6.591 0.405 1.00 0.94 O ATOM 80 CB GLN A 6 3.673 6.462 3.565 1.00 0.83 C ATOM 81 CG GLN A 6 2.220 6.113 3.789 1.00 1.45 C ATOM 82 CD GLN A 6 1.308 7.095 3.081 1.00 1.81 C ATOM 83 OE1 GLN A 6 0.417 6.704 2.339 1.00 2.26 O ATOM 84 NE2 GLN A 6 1.541 8.384 3.296 1.00 2.01 N ATOM 0 H GLN A 6 5.418 7.441 1.788 1.00 1.03 H new ATOM 0 HA GLN A 6 4.574 4.739 2.608 1.00 0.85 H new ATOM 0 HB2 GLN A 6 4.243 6.198 4.456 1.00 0.83 H new ATOM 0 HB3 GLN A 6 3.763 7.541 3.438 1.00 0.83 H new ATOM 0 HG2 GLN A 6 2.025 5.104 3.426 1.00 1.45 H new ATOM 0 HG3 GLN A 6 2.003 6.115 4.857 1.00 1.45 H new ATOM 0 HE21 GLN A 6 2.294 8.669 3.922 1.00 2.01 H new ATOM 0 HE22 GLN A 6 0.967 9.090 2.835 1.00 2.01 H new ATOM 93 N PHE A 7 2.510 4.581 1.229 1.00 0.74 N ATOM 94 CA PHE A 7 1.441 4.357 0.273 1.00 0.78 C ATOM 95 C PHE A 7 0.099 4.449 1.007 1.00 0.62 C ATOM 96 O PHE A 7 -0.092 3.813 2.047 1.00 0.55 O ATOM 97 CB PHE A 7 1.598 2.984 -0.399 1.00 0.86 C ATOM 98 CG PHE A 7 0.353 2.505 -1.092 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.072 2.892 -2.391 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.540 1.676 -0.434 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.078 2.461 -3.023 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.690 1.240 -1.060 1.00 1.29 C ATOM 103 CZ PHE A 7 -1.960 1.633 -2.357 1.00 1.29 C ATOM 0 H PHE A 7 2.626 3.826 1.904 1.00 0.74 H new ATOM 0 HA PHE A 7 1.482 5.115 -0.509 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.410 3.035 -1.124 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.889 2.252 0.354 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.760 3.538 -2.916 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.334 1.367 0.580 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.287 2.771 -4.036 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.378 0.592 -0.537 1.00 1.29 H new ATOM 0 HZ PHE A 7 -2.859 1.293 -2.849 1.00 1.29 H new ATOM 113 N LYS A 8 -0.816 5.256 0.477 1.00 0.60 N ATOM 114 CA LYS A 8 -2.126 5.434 1.099 1.00 0.54 C ATOM 115 C LYS A 8 -3.237 4.905 0.192 1.00 0.68 C ATOM 116 O LYS A 8 -3.205 5.104 -1.022 1.00 0.77 O ATOM 117 CB LYS A 8 -2.375 6.916 1.416 1.00 0.61 C ATOM 118 CG LYS A 8 -2.267 7.824 0.204 1.00 1.40 C ATOM 119 CD LYS A 8 -0.943 8.570 0.187 1.00 2.22 C ATOM 120 CE LYS A 8 -0.986 9.800 1.079 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.768 10.906 0.462 1.00 2.42 N ATOM 0 H LYS A 8 -0.676 5.795 -0.378 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.135 4.865 2.029 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.368 7.024 1.853 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.658 7.243 2.169 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.365 7.232 -0.706 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.089 8.539 0.209 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.145 7.906 0.520 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -0.705 8.868 -0.834 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.427 9.536 2.040 1.00 1.88 H new ATOM 0 HE3 LYS A 8 0.030 10.141 1.277 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.608 11.784 0.995 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -1.463 11.039 -0.523 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -2.780 10.669 0.482 1.00 2.42 H new ATOM 135 N LEU A 9 -4.225 4.238 0.792 1.00 0.86 N ATOM 136 CA LEU A 9 -5.360 3.685 0.045 1.00 1.06 C ATOM 137 C LEU A 9 -5.879 4.702 -0.972 1.00 1.74 C ATOM 138 O LEU A 9 -6.229 5.827 -0.615 1.00 2.24 O ATOM 139 CB LEU A 9 -6.471 3.280 1.031 1.00 1.28 C ATOM 140 CG LEU A 9 -7.741 2.631 0.440 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.471 3.577 -0.500 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.417 1.324 -0.260 1.00 1.96 C ATOM 0 H LEU A 9 -4.263 4.067 1.797 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.034 2.802 -0.504 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.043 2.586 1.755 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.773 4.170 1.583 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.407 2.414 1.275 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.359 3.084 -0.895 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.766 4.474 0.044 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.812 3.852 -1.323 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.332 0.892 -0.665 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.713 1.510 -1.071 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -6.973 0.630 0.453 1.00 1.96 H new ATOM 154 N SER A 10 -5.921 4.301 -2.239 1.00 2.11 N ATOM 155 CA SER A 10 -6.393 5.181 -3.303 1.00 2.83 C ATOM 156 C SER A 10 -7.482 4.506 -4.133 1.00 2.93 C ATOM 157 O SER A 10 -7.863 3.367 -3.864 1.00 3.26 O ATOM 158 CB SER A 10 -5.227 5.588 -4.206 1.00 3.76 C ATOM 159 OG SER A 10 -4.488 6.653 -3.636 1.00 4.49 O ATOM 0 H SER A 10 -5.634 3.374 -2.554 1.00 2.11 H new ATOM 0 HA SER A 10 -6.818 6.072 -2.840 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.572 4.732 -4.367 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.607 5.887 -5.183 1.00 3.76 H new ATOM 0 HG SER A 10 -4.050 6.345 -2.816 1.00 4.49 H new ATOM 165 N ASP A 11 -7.978 5.227 -5.146 1.00 3.22 N ATOM 166 CA ASP A 11 -9.031 4.727 -6.043 1.00 3.68 C ATOM 167 C ASP A 11 -10.430 5.005 -5.490 1.00 3.44 C ATOM 168 O ASP A 11 -11.403 5.041 -6.243 1.00 4.01 O ATOM 169 CB ASP A 11 -8.868 3.226 -6.315 1.00 4.18 C ATOM 170 CG ASP A 11 -9.090 2.874 -7.773 1.00 4.90 C ATOM 171 OD1 ASP A 11 -9.130 3.802 -8.609 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.222 1.671 -8.080 1.00 5.24 O ATOM 0 H ASP A 11 -7.663 6.171 -5.368 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.922 5.268 -6.983 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -7.868 2.912 -6.017 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.574 2.669 -5.698 1.00 4.18 H new ATOM 177 N ILE A 12 -10.530 5.203 -4.178 1.00 2.82 N ATOM 178 CA ILE A 12 -11.812 5.478 -3.543 1.00 2.70 C ATOM 179 C ILE A 12 -12.051 6.990 -3.447 1.00 2.96 C ATOM 180 O ILE A 12 -11.125 7.787 -3.588 1.00 3.29 O ATOM 181 CB ILE A 12 -11.886 4.796 -2.143 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.284 3.330 -2.302 1.00 1.94 C ATOM 183 CG2 ILE A 12 -12.861 5.495 -1.199 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.202 2.467 -2.919 1.00 1.97 C ATOM 0 H ILE A 12 -9.738 5.178 -3.536 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.606 5.056 -4.159 1.00 2.70 H new ATOM 0 HB ILE A 12 -10.895 4.871 -1.696 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.545 2.926 -1.324 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.180 3.271 -2.920 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -12.872 4.978 -0.239 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -12.547 6.528 -1.051 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.861 5.479 -1.632 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.558 1.440 -3.000 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.957 2.845 -3.911 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.312 2.494 -2.290 1.00 1.97 H new ATOM 196 N GLY A 13 -13.305 7.367 -3.216 1.00 3.15 N ATOM 197 CA GLY A 13 -13.659 8.771 -3.115 1.00 3.67 C ATOM 198 C GLY A 13 -13.466 9.328 -1.719 1.00 3.84 C ATOM 199 O GLY A 13 -13.195 8.586 -0.776 1.00 3.63 O ATOM 0 H GLY A 13 -14.086 6.721 -3.096 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -13.054 9.345 -3.817 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.700 8.901 -3.412 1.00 3.67 H new ATOM 203 N GLU A 14 -13.602 10.643 -1.590 1.00 4.49 N ATOM 204 CA GLU A 14 -13.437 11.308 -0.303 1.00 4.81 C ATOM 205 C GLU A 14 -14.270 10.632 0.782 1.00 4.15 C ATOM 206 O GLU A 14 -13.730 10.131 1.768 1.00 4.04 O ATOM 207 CB GLU A 14 -13.830 12.782 -0.416 1.00 5.76 C ATOM 208 CG GLU A 14 -13.534 13.588 0.838 1.00 6.16 C ATOM 209 CD GLU A 14 -13.389 15.070 0.555 1.00 7.04 C ATOM 210 OE1 GLU A 14 -12.527 15.435 -0.272 1.00 7.20 O ATOM 211 OE2 GLU A 14 -14.137 15.866 1.161 1.00 7.72 O ATOM 0 H GLU A 14 -13.826 11.270 -2.362 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.387 11.234 -0.022 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -13.300 13.227 -1.258 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -14.895 12.850 -0.638 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -14.335 13.436 1.561 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -12.617 13.217 1.296 1.00 6.16 H new ATOM 218 N GLY A 15 -15.588 10.631 0.602 1.00 3.81 N ATOM 219 CA GLY A 15 -16.465 10.022 1.587 1.00 3.32 C ATOM 220 C GLY A 15 -17.422 9.006 0.990 1.00 2.93 C ATOM 221 O GLY A 15 -18.637 9.210 0.999 1.00 3.13 O ATOM 0 H GLY A 15 -16.062 11.039 -0.204 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -15.859 9.535 2.351 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.039 10.803 2.085 1.00 3.32 H new ATOM 225 N ILE A 16 -16.878 7.905 0.482 1.00 2.53 N ATOM 226 CA ILE A 16 -17.692 6.851 -0.107 1.00 2.22 C ATOM 227 C ILE A 16 -17.255 5.484 0.408 1.00 1.91 C ATOM 228 O ILE A 16 -16.477 5.390 1.357 1.00 1.88 O ATOM 229 CB ILE A 16 -17.612 6.869 -1.648 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.214 6.464 -2.139 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.984 8.246 -2.177 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.225 5.801 -3.499 1.00 2.22 C ATOM 0 H ILE A 16 -15.875 7.720 0.467 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.725 7.036 0.188 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.324 6.138 -2.032 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.580 7.350 -2.180 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.765 5.784 -1.415 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.924 8.246 -3.265 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.001 8.491 -1.870 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.294 8.989 -1.775 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.206 5.541 -3.785 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.832 4.897 -3.458 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.645 6.487 -4.235 1.00 2.22 H new ATOM 244 N ARG A 17 -17.744 4.427 -0.230 1.00 1.82 N ATOM 245 CA ARG A 17 -17.383 3.075 0.164 1.00 1.64 C ATOM 246 C ARG A 17 -15.869 2.903 0.125 1.00 1.22 C ATOM 247 O ARG A 17 -15.194 3.459 -0.741 1.00 1.14 O ATOM 248 CB ARG A 17 -18.049 2.054 -0.761 1.00 1.77 C ATOM 249 CG ARG A 17 -19.561 1.985 -0.605 1.00 2.27 C ATOM 250 CD ARG A 17 -20.214 1.316 -1.804 1.00 2.75 C ATOM 251 NE ARG A 17 -21.250 2.154 -2.402 1.00 3.16 N ATOM 252 CZ ARG A 17 -21.703 1.994 -3.641 1.00 3.76 C ATOM 253 NH1 ARG A 17 -21.214 1.030 -4.410 1.00 4.04 N ATOM 254 NH2 ARG A 17 -22.645 2.798 -4.114 1.00 4.40 N ATOM 0 H ARG A 17 -18.389 4.482 -1.019 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.733 2.906 1.182 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -17.810 2.303 -1.795 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.627 1.069 -0.565 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.810 1.433 0.301 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.962 2.991 -0.485 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -19.454 1.091 -2.552 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.650 0.366 -1.496 1.00 2.75 H new ATOM 0 HE ARG A 17 -21.648 2.904 -1.837 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -20.489 0.409 -4.051 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -21.563 0.909 -5.361 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -23.023 3.541 -3.527 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -22.991 2.674 -5.065 1.00 4.40 H new ATOM 268 N GLU A 18 -15.340 2.133 1.067 1.00 1.16 N ATOM 269 CA GLU A 18 -13.904 1.892 1.137 1.00 0.91 C ATOM 270 C GLU A 18 -13.558 0.548 0.514 1.00 0.63 C ATOM 271 O GLU A 18 -14.450 -0.207 0.126 1.00 0.66 O ATOM 272 CB GLU A 18 -13.431 1.956 2.586 1.00 1.29 C ATOM 273 CG GLU A 18 -13.284 3.377 3.094 1.00 1.64 C ATOM 274 CD GLU A 18 -14.577 3.923 3.666 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.409 3.114 4.130 1.00 2.11 O ATOM 276 OE2 GLU A 18 -14.760 5.158 3.648 1.00 2.17 O ATOM 0 H GLU A 18 -15.883 1.665 1.793 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.390 2.669 0.571 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.139 1.420 3.218 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.473 1.443 2.674 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.509 3.408 3.860 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -12.951 4.019 2.278 1.00 1.64 H new ATOM 283 N VAL A 19 -12.267 0.250 0.392 1.00 0.63 N ATOM 284 CA VAL A 19 -11.859 -1.014 -0.221 1.00 0.57 C ATOM 285 C VAL A 19 -11.018 -1.877 0.715 1.00 0.41 C ATOM 286 O VAL A 19 -10.244 -1.370 1.527 1.00 0.47 O ATOM 287 CB VAL A 19 -11.084 -0.785 -1.529 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.763 -0.091 -1.255 1.00 1.51 C ATOM 289 CG2 VAL A 19 -10.862 -2.103 -2.253 1.00 1.16 C ATOM 0 H VAL A 19 -11.501 0.849 0.700 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.785 -1.547 -0.438 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.679 -0.137 -2.173 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.231 0.061 -2.194 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.950 0.874 -0.783 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.158 -0.709 -0.591 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.312 -1.923 -3.177 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.289 -2.776 -1.615 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -11.825 -2.556 -2.487 1.00 1.16 H new ATOM 299 N THR A 20 -11.181 -3.192 0.582 1.00 0.37 N ATOM 300 CA THR A 20 -10.452 -4.149 1.406 1.00 0.30 C ATOM 301 C THR A 20 -9.236 -4.683 0.671 1.00 0.33 C ATOM 302 O THR A 20 -9.190 -4.689 -0.559 1.00 0.65 O ATOM 303 CB THR A 20 -11.334 -5.356 1.788 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.712 -4.971 1.839 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.907 -5.948 3.126 1.00 0.54 C ATOM 0 H THR A 20 -11.816 -3.619 -0.093 1.00 0.37 H new ATOM 0 HA THR A 20 -10.149 -3.613 2.305 1.00 0.30 H new ATOM 0 HB THR A 20 -11.206 -6.120 1.021 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.260 -5.747 2.081 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.546 -6.797 3.369 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.871 -6.281 3.063 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.998 -5.191 3.905 1.00 0.54 H new ATOM 313 N VAL A 21 -8.259 -5.146 1.433 1.00 0.28 N ATOM 314 CA VAL A 21 -7.047 -5.701 0.850 1.00 0.25 C ATOM 315 C VAL A 21 -7.291 -7.135 0.386 1.00 0.29 C ATOM 316 O VAL A 21 -7.773 -7.968 1.147 1.00 0.33 O ATOM 317 CB VAL A 21 -5.879 -5.682 1.856 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.632 -6.307 1.250 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.600 -4.260 2.318 1.00 1.21 C ATOM 0 H VAL A 21 -8.280 -5.149 2.453 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.779 -5.079 -0.004 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.164 -6.276 2.724 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.822 -6.282 1.979 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.840 -7.341 0.974 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.339 -5.747 0.362 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.773 -4.264 3.028 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.338 -3.643 1.459 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.489 -3.853 2.799 1.00 1.21 H new ATOM 329 N LYS A 22 -6.966 -7.416 -0.869 1.00 0.36 N ATOM 330 CA LYS A 22 -7.161 -8.750 -1.422 1.00 0.46 C ATOM 331 C LYS A 22 -5.864 -9.551 -1.385 1.00 0.52 C ATOM 332 O LYS A 22 -5.887 -10.782 -1.362 1.00 0.66 O ATOM 333 CB LYS A 22 -7.681 -8.660 -2.859 1.00 0.52 C ATOM 334 CG LYS A 22 -8.518 -9.858 -3.282 1.00 0.78 C ATOM 335 CD LYS A 22 -10.006 -9.578 -3.140 1.00 1.48 C ATOM 336 CE LYS A 22 -10.844 -10.732 -3.666 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.136 -10.589 -5.119 1.00 2.95 N ATOM 0 H LYS A 22 -6.568 -6.741 -1.521 1.00 0.36 H new ATOM 0 HA LYS A 22 -7.900 -9.265 -0.809 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.279 -7.755 -2.964 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -6.833 -8.562 -3.537 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.292 -10.113 -4.317 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.250 -10.723 -2.675 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.245 -9.402 -2.091 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.259 -8.667 -3.682 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.319 -11.671 -3.492 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.781 -10.783 -3.111 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -11.099 -11.523 -5.574 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -12.084 -10.181 -5.244 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -10.429 -9.963 -5.555 1.00 2.95 H new ATOM 351 N GLU A 23 -4.733 -8.849 -1.382 1.00 0.46 N ATOM 352 CA GLU A 23 -3.433 -9.509 -1.351 1.00 0.56 C ATOM 353 C GLU A 23 -2.444 -8.772 -0.449 1.00 0.42 C ATOM 354 O GLU A 23 -2.256 -7.561 -0.569 1.00 0.42 O ATOM 355 CB GLU A 23 -2.863 -9.622 -2.766 1.00 0.73 C ATOM 356 CG GLU A 23 -2.278 -10.990 -3.076 1.00 1.09 C ATOM 357 CD GLU A 23 -3.323 -11.969 -3.575 1.00 1.33 C ATOM 358 OE1 GLU A 23 -4.281 -12.247 -2.825 1.00 1.63 O ATOM 359 OE2 GLU A 23 -3.182 -12.457 -4.717 1.00 2.13 O ATOM 0 H GLU A 23 -4.691 -7.830 -1.401 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.582 -10.507 -0.938 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.651 -9.401 -3.486 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.089 -8.866 -2.899 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -1.495 -10.885 -3.827 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -1.807 -11.392 -2.179 1.00 1.09 H new ATOM 366 N TRP A 24 -1.804 -9.525 0.440 1.00 0.35 N ATOM 367 CA TRP A 24 -0.812 -8.976 1.361 1.00 0.26 C ATOM 368 C TRP A 24 0.452 -9.827 1.303 1.00 0.24 C ATOM 369 O TRP A 24 0.423 -11.011 1.637 1.00 0.33 O ATOM 370 CB TRP A 24 -1.371 -8.939 2.788 1.00 0.37 C ATOM 371 CG TRP A 24 -1.970 -7.618 3.158 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.226 -7.398 3.639 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.339 -6.335 3.078 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.419 -6.056 3.860 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.274 -5.382 3.526 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.075 -5.899 2.672 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.984 -4.022 3.579 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.211 -4.549 2.725 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.739 -3.624 3.176 1.00 0.70 C ATOM 0 H TRP A 24 -1.957 -10.528 0.543 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.571 -7.955 1.067 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.129 -9.715 2.894 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.571 -9.176 3.490 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -3.962 -8.167 3.820 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.275 -5.631 4.215 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.664 -6.605 2.323 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.715 -3.307 3.926 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.184 -4.200 2.413 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.483 -2.575 3.206 1.00 0.70 H new ATOM 390 N TYR A 25 1.554 -9.237 0.845 1.00 0.20 N ATOM 391 CA TYR A 25 2.805 -9.983 0.715 1.00 0.31 C ATOM 392 C TYR A 25 3.915 -9.435 1.609 1.00 0.27 C ATOM 393 O TYR A 25 5.091 -9.695 1.362 1.00 0.36 O ATOM 394 CB TYR A 25 3.271 -9.964 -0.742 1.00 0.42 C ATOM 395 CG TYR A 25 2.979 -11.242 -1.496 1.00 0.70 C ATOM 396 CD1 TYR A 25 3.289 -12.480 -0.948 1.00 1.07 C ATOM 397 CD2 TYR A 25 2.396 -11.209 -2.757 1.00 1.16 C ATOM 398 CE1 TYR A 25 3.026 -13.650 -1.635 1.00 1.34 C ATOM 399 CE2 TYR A 25 2.130 -12.374 -3.450 1.00 1.44 C ATOM 400 CZ TYR A 25 2.447 -13.592 -2.886 1.00 1.36 C ATOM 401 OH TYR A 25 2.186 -14.756 -3.573 1.00 1.72 O ATOM 0 H TYR A 25 1.608 -8.259 0.561 1.00 0.20 H new ATOM 0 HA TYR A 25 2.601 -11.004 1.037 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.789 -9.132 -1.256 1.00 0.42 H new ATOM 0 HB3 TYR A 25 4.344 -9.776 -0.767 1.00 0.42 H new ATOM 0 HD1 TYR A 25 3.743 -12.529 0.031 1.00 1.07 H new ATOM 0 HD2 TYR A 25 2.147 -10.257 -3.202 1.00 1.16 H new ATOM 0 HE1 TYR A 25 3.272 -14.605 -1.195 1.00 1.34 H new ATOM 0 HE2 TYR A 25 1.676 -12.331 -4.429 1.00 1.44 H new ATOM 0 HH TYR A 25 1.777 -14.541 -4.437 1.00 1.72 H new ATOM 411 N VAL A 26 3.549 -8.686 2.644 1.00 0.22 N ATOM 412 CA VAL A 26 4.543 -8.120 3.555 1.00 0.22 C ATOM 413 C VAL A 26 3.905 -7.655 4.860 1.00 0.22 C ATOM 414 O VAL A 26 2.685 -7.531 4.957 1.00 0.31 O ATOM 415 CB VAL A 26 5.277 -6.933 2.904 1.00 0.28 C ATOM 416 CG1 VAL A 26 6.338 -7.423 1.931 1.00 0.50 C ATOM 417 CG2 VAL A 26 4.280 -6.025 2.209 1.00 0.40 C ATOM 0 H VAL A 26 2.582 -8.457 2.873 1.00 0.22 H new ATOM 0 HA VAL A 26 5.258 -8.913 3.774 1.00 0.22 H new ATOM 0 HB VAL A 26 5.781 -6.362 3.684 1.00 0.28 H new ATOM 0 HG11 VAL A 26 6.844 -6.568 1.483 1.00 0.50 H new ATOM 0 HG12 VAL A 26 7.065 -8.036 2.464 1.00 0.50 H new ATOM 0 HG13 VAL A 26 5.867 -8.017 1.148 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.808 -5.188 1.751 1.00 0.40 H new ATOM 0 HG22 VAL A 26 3.752 -6.587 1.438 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.563 -5.647 2.938 1.00 0.40 H new ATOM 427 N LYS A 27 4.742 -7.406 5.864 1.00 0.24 N ATOM 428 CA LYS A 27 4.263 -6.961 7.168 1.00 0.26 C ATOM 429 C LYS A 27 5.282 -6.061 7.870 1.00 0.29 C ATOM 430 O LYS A 27 6.415 -5.903 7.422 1.00 0.42 O ATOM 431 CB LYS A 27 3.944 -8.171 8.048 1.00 0.38 C ATOM 432 CG LYS A 27 2.485 -8.259 8.463 1.00 0.61 C ATOM 433 CD LYS A 27 2.176 -9.598 9.115 1.00 0.99 C ATOM 434 CE LYS A 27 1.083 -9.472 10.164 1.00 1.52 C ATOM 435 NZ LYS A 27 1.070 -10.637 11.094 1.00 1.89 N ATOM 0 H LYS A 27 5.755 -7.505 5.799 1.00 0.24 H new ATOM 0 HA LYS A 27 3.358 -6.376 7.007 1.00 0.26 H new ATOM 0 HB2 LYS A 27 4.215 -9.080 7.512 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.565 -8.132 8.943 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.253 -7.452 9.158 1.00 0.61 H new ATOM 0 HG3 LYS A 27 1.847 -8.121 7.590 1.00 0.61 H new ATOM 0 HD2 LYS A 27 1.867 -10.312 8.352 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.080 -9.995 9.577 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.230 -8.554 10.733 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.114 -9.390 9.671 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.311 -10.514 11.794 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.904 -11.510 10.554 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.985 -10.701 11.583 1.00 1.89 H new ATOM 449 N GLU A 28 4.851 -5.473 8.977 1.00 0.30 N ATOM 450 CA GLU A 28 5.699 -4.573 9.778 1.00 0.34 C ATOM 451 C GLU A 28 7.133 -5.096 9.895 1.00 0.38 C ATOM 452 O GLU A 28 7.350 -6.275 10.175 1.00 0.42 O ATOM 453 CB GLU A 28 5.140 -4.384 11.207 1.00 0.42 C ATOM 454 CG GLU A 28 3.680 -4.768 11.393 1.00 0.35 C ATOM 455 CD GLU A 28 3.056 -4.121 12.613 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.652 -4.215 13.707 1.00 2.03 O ATOM 457 OE2 GLU A 28 1.971 -3.518 12.474 1.00 1.23 O ATOM 0 H GLU A 28 3.911 -5.599 9.352 1.00 0.30 H new ATOM 0 HA GLU A 28 5.699 -3.618 9.252 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.744 -4.974 11.896 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.262 -3.339 11.491 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.117 -4.479 10.506 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.602 -5.852 11.482 1.00 0.35 H new ATOM 464 N GLY A 29 8.111 -4.204 9.716 1.00 0.39 N ATOM 465 CA GLY A 29 9.506 -4.598 9.846 1.00 0.45 C ATOM 466 C GLY A 29 9.988 -5.529 8.748 1.00 0.40 C ATOM 467 O GLY A 29 11.117 -6.018 8.802 1.00 0.44 O ATOM 0 H GLY A 29 7.962 -3.222 9.485 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.127 -3.702 9.848 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.647 -5.086 10.810 1.00 0.45 H new ATOM 471 N ASP A 30 9.140 -5.799 7.764 1.00 0.34 N ATOM 472 CA ASP A 30 9.514 -6.706 6.678 1.00 0.31 C ATOM 473 C ASP A 30 9.944 -5.948 5.435 1.00 0.25 C ATOM 474 O ASP A 30 9.515 -4.822 5.202 1.00 0.24 O ATOM 475 CB ASP A 30 8.357 -7.638 6.322 1.00 0.31 C ATOM 476 CG ASP A 30 7.906 -8.487 7.495 1.00 0.91 C ATOM 477 OD1 ASP A 30 7.260 -7.941 8.413 1.00 1.27 O ATOM 478 OD2 ASP A 30 8.200 -9.701 7.494 1.00 1.36 O ATOM 0 H ASP A 30 8.200 -5.411 7.692 1.00 0.34 H new ATOM 0 HA ASP A 30 10.358 -7.295 7.036 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.516 -7.045 5.963 1.00 0.31 H new ATOM 0 HB3 ASP A 30 8.660 -8.290 5.503 1.00 0.31 H new ATOM 483 N THR A 31 10.789 -6.584 4.633 1.00 0.23 N ATOM 484 CA THR A 31 11.273 -5.977 3.404 1.00 0.18 C ATOM 485 C THR A 31 10.513 -6.510 2.196 1.00 0.18 C ATOM 486 O THR A 31 10.191 -7.696 2.123 1.00 0.30 O ATOM 487 CB THR A 31 12.777 -6.233 3.200 1.00 0.19 C ATOM 488 OG1 THR A 31 13.504 -5.851 4.374 1.00 0.31 O ATOM 489 CG2 THR A 31 13.295 -5.457 1.999 1.00 0.30 C ATOM 0 H THR A 31 11.152 -7.520 4.813 1.00 0.23 H new ATOM 0 HA THR A 31 11.106 -4.904 3.496 1.00 0.18 H new ATOM 0 HB THR A 31 12.923 -7.298 3.017 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.460 -6.019 4.236 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.360 -5.652 1.872 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.759 -5.772 1.104 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.138 -4.390 2.160 1.00 0.30 H new ATOM 497 N VAL A 32 10.237 -5.624 1.250 1.00 0.14 N ATOM 498 CA VAL A 32 9.522 -5.990 0.034 1.00 0.14 C ATOM 499 C VAL A 32 10.503 -6.189 -1.113 1.00 0.14 C ATOM 500 O VAL A 32 11.679 -5.847 -0.994 1.00 0.18 O ATOM 501 CB VAL A 32 8.465 -4.931 -0.384 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.083 -5.554 -0.403 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.480 -3.707 0.526 1.00 0.18 C ATOM 0 H VAL A 32 10.499 -4.640 1.301 1.00 0.14 H new ATOM 0 HA VAL A 32 8.995 -6.919 0.252 1.00 0.14 H new ATOM 0 HB VAL A 32 8.725 -4.590 -1.386 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.350 -4.803 -0.697 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.065 -6.378 -1.116 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.839 -5.929 0.591 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.724 -2.996 0.193 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.265 -4.012 1.550 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.462 -3.236 0.487 1.00 0.18 H new ATOM 513 N SER A 33 10.016 -6.744 -2.217 1.00 0.23 N ATOM 514 CA SER A 33 10.855 -6.990 -3.384 1.00 0.31 C ATOM 515 C SER A 33 10.129 -6.610 -4.671 1.00 0.33 C ATOM 516 O SER A 33 8.975 -6.183 -4.641 1.00 0.35 O ATOM 517 CB SER A 33 11.269 -8.463 -3.436 1.00 0.38 C ATOM 518 OG SER A 33 12.679 -8.596 -3.488 1.00 1.42 O ATOM 0 H SER A 33 9.044 -7.032 -2.328 1.00 0.23 H new ATOM 0 HA SER A 33 11.746 -6.369 -3.296 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.884 -8.983 -2.559 1.00 0.38 H new ATOM 0 HB3 SER A 33 10.823 -8.938 -4.310 1.00 0.38 H new ATOM 0 HG SER A 33 13.066 -7.808 -3.923 1.00 1.42 H new ATOM 524 N GLN A 34 10.813 -6.771 -5.800 1.00 0.37 N ATOM 525 CA GLN A 34 10.236 -6.448 -7.102 1.00 0.41 C ATOM 526 C GLN A 34 8.980 -7.275 -7.359 1.00 0.43 C ATOM 527 O GLN A 34 7.968 -6.756 -7.833 1.00 0.52 O ATOM 528 CB GLN A 34 11.262 -6.699 -8.210 1.00 0.44 C ATOM 529 CG GLN A 34 11.194 -5.695 -9.349 1.00 0.76 C ATOM 530 CD GLN A 34 12.133 -6.043 -10.489 1.00 1.54 C ATOM 531 OE1 GLN A 34 12.192 -7.191 -10.931 1.00 2.38 O ATOM 532 NE2 GLN A 34 12.874 -5.052 -10.969 1.00 1.72 N ATOM 0 H GLN A 34 11.769 -7.124 -5.840 1.00 0.37 H new ATOM 0 HA GLN A 34 9.961 -5.393 -7.101 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.262 -6.676 -7.778 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.111 -7.701 -8.612 1.00 0.44 H new ATOM 0 HG2 GLN A 34 10.172 -5.647 -9.726 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.440 -4.703 -8.970 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.792 -4.116 -10.572 1.00 1.72 H new ATOM 0 HE22 GLN A 34 13.525 -5.227 -11.735 1.00 1.72 H new ATOM 541 N PHE A 35 9.053 -8.562 -7.042 1.00 0.43 N ATOM 542 CA PHE A 35 7.924 -9.466 -7.235 1.00 0.48 C ATOM 543 C PHE A 35 7.043 -9.522 -5.989 1.00 0.43 C ATOM 544 O PHE A 35 5.883 -9.929 -6.058 1.00 0.47 O ATOM 545 CB PHE A 35 8.423 -10.870 -7.578 1.00 0.58 C ATOM 546 CG PHE A 35 7.317 -11.858 -7.819 1.00 0.99 C ATOM 547 CD1 PHE A 35 6.263 -11.545 -8.664 1.00 1.86 C ATOM 548 CD2 PHE A 35 7.331 -13.098 -7.202 1.00 1.12 C ATOM 549 CE1 PHE A 35 5.244 -12.451 -8.887 1.00 2.52 C ATOM 550 CE2 PHE A 35 6.314 -14.008 -7.421 1.00 1.64 C ATOM 551 CZ PHE A 35 5.270 -13.685 -8.265 1.00 2.31 C ATOM 0 H PHE A 35 9.884 -9.005 -6.649 1.00 0.43 H new ATOM 0 HA PHE A 35 7.326 -9.083 -8.062 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.051 -10.816 -8.467 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.052 -11.232 -6.765 1.00 0.58 H new ATOM 0 HD1 PHE A 35 6.238 -10.582 -9.153 1.00 1.86 H new ATOM 0 HD2 PHE A 35 8.146 -13.357 -6.542 1.00 1.12 H new ATOM 0 HE1 PHE A 35 4.428 -12.195 -9.547 1.00 2.52 H new ATOM 0 HE2 PHE A 35 6.336 -14.971 -6.932 1.00 1.64 H new ATOM 0 HZ PHE A 35 4.475 -14.395 -8.439 1.00 2.31 H new ATOM 561 N ASP A 36 7.599 -9.116 -4.851 1.00 0.36 N ATOM 562 CA ASP A 36 6.859 -9.130 -3.595 1.00 0.34 C ATOM 563 C ASP A 36 6.090 -7.829 -3.394 1.00 0.25 C ATOM 564 O ASP A 36 6.583 -6.896 -2.760 1.00 0.21 O ATOM 565 CB ASP A 36 7.811 -9.359 -2.421 1.00 0.41 C ATOM 566 CG ASP A 36 7.894 -10.819 -2.021 1.00 0.76 C ATOM 567 OD1 ASP A 36 8.565 -11.594 -2.736 1.00 1.69 O ATOM 568 OD2 ASP A 36 7.287 -11.189 -0.994 1.00 0.84 O ATOM 0 H ASP A 36 8.557 -8.774 -4.774 1.00 0.36 H new ATOM 0 HA ASP A 36 6.141 -9.949 -3.639 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.805 -9.001 -2.688 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.479 -8.769 -1.567 1.00 0.41 H new ATOM 573 N SER A 37 4.875 -7.777 -3.928 1.00 0.26 N ATOM 574 CA SER A 37 4.034 -6.593 -3.796 1.00 0.21 C ATOM 575 C SER A 37 3.702 -6.342 -2.330 1.00 0.23 C ATOM 576 O SER A 37 3.794 -7.248 -1.502 1.00 0.28 O ATOM 577 CB SER A 37 2.745 -6.761 -4.602 1.00 0.25 C ATOM 578 OG SER A 37 2.978 -6.563 -5.985 1.00 0.94 O ATOM 0 H SER A 37 4.451 -8.540 -4.456 1.00 0.26 H new ATOM 0 HA SER A 37 4.582 -5.735 -4.186 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.338 -7.759 -4.438 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.998 -6.050 -4.251 1.00 0.25 H new ATOM 0 HG SER A 37 2.139 -6.677 -6.478 1.00 0.94 H new ATOM 584 N ILE A 38 3.319 -5.112 -2.007 1.00 0.22 N ATOM 585 CA ILE A 38 2.981 -4.769 -0.633 1.00 0.27 C ATOM 586 C ILE A 38 1.493 -4.979 -0.368 1.00 0.27 C ATOM 587 O ILE A 38 1.091 -6.003 0.192 1.00 0.27 O ATOM 588 CB ILE A 38 3.374 -3.313 -0.296 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.884 -3.135 -0.433 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.922 -2.933 1.113 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.335 -1.706 -0.240 1.00 0.47 C ATOM 0 H ILE A 38 3.236 -4.343 -2.672 1.00 0.22 H new ATOM 0 HA ILE A 38 3.553 -5.435 0.013 1.00 0.27 H new ATOM 0 HB ILE A 38 2.871 -2.651 -1.001 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.386 -3.769 0.298 1.00 0.36 H new ATOM 0 HG13 ILE A 38 5.196 -3.477 -1.420 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.212 -1.903 1.323 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.838 -3.027 1.185 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.393 -3.597 1.838 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.418 -1.648 -0.350 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.860 -1.070 -0.987 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.053 -1.367 0.757 1.00 0.47 H new ATOM 603 N CYS A 39 0.683 -4.006 -0.775 1.00 0.32 N ATOM 604 CA CYS A 39 -0.757 -4.080 -0.581 1.00 0.34 C ATOM 605 C CYS A 39 -1.484 -4.227 -1.914 1.00 0.40 C ATOM 606 O CYS A 39 -1.102 -3.621 -2.915 1.00 0.55 O ATOM 607 CB CYS A 39 -1.253 -2.829 0.145 1.00 0.40 C ATOM 608 SG CYS A 39 -2.922 -2.981 0.821 1.00 1.29 S ATOM 0 H CYS A 39 1.002 -3.157 -1.242 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.972 -4.960 0.025 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.564 -2.596 0.957 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.228 -1.987 -0.546 1.00 0.40 H new ATOM 0 HG CYS A 39 -2.854 -3.352 2.065 1.00 1.29 H new ATOM 614 N GLU A 40 -2.538 -5.032 -1.912 1.00 0.36 N ATOM 615 CA GLU A 40 -3.333 -5.262 -3.111 1.00 0.44 C ATOM 616 C GLU A 40 -4.817 -5.159 -2.783 1.00 0.48 C ATOM 617 O GLU A 40 -5.302 -5.828 -1.875 1.00 0.50 O ATOM 618 CB GLU A 40 -3.018 -6.639 -3.701 1.00 0.57 C ATOM 619 CG GLU A 40 -2.970 -6.655 -5.220 1.00 1.15 C ATOM 620 CD GLU A 40 -2.891 -8.060 -5.786 1.00 1.65 C ATOM 621 OE1 GLU A 40 -1.803 -8.668 -5.714 1.00 1.74 O ATOM 622 OE2 GLU A 40 -3.917 -8.552 -6.301 1.00 2.37 O ATOM 0 H GLU A 40 -2.864 -5.539 -1.089 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.081 -4.500 -3.849 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -2.059 -6.981 -3.312 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.771 -7.351 -3.362 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -3.857 -6.158 -5.613 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.107 -6.082 -5.559 1.00 1.15 H new ATOM 629 N VAL A 41 -5.533 -4.312 -3.514 1.00 0.55 N ATOM 630 CA VAL A 41 -6.959 -4.129 -3.277 1.00 0.64 C ATOM 631 C VAL A 41 -7.760 -4.258 -4.566 1.00 0.92 C ATOM 632 O VAL A 41 -7.298 -3.869 -5.639 1.00 1.08 O ATOM 633 CB VAL A 41 -7.250 -2.758 -2.640 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.541 -2.631 -1.300 1.00 1.35 C ATOM 635 CG2 VAL A 41 -6.837 -1.635 -3.578 1.00 1.32 C ATOM 0 H VAL A 41 -5.152 -3.745 -4.271 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.264 -4.916 -2.588 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.323 -2.679 -2.466 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.758 -1.656 -0.864 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.891 -3.415 -0.628 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.466 -2.732 -1.446 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.050 -0.674 -3.111 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -5.770 -1.709 -3.786 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.395 -1.717 -4.511 1.00 1.32 H new ATOM 645 N GLN A 42 -8.964 -4.805 -4.451 1.00 1.03 N ATOM 646 CA GLN A 42 -9.836 -4.986 -5.607 1.00 1.34 C ATOM 647 C GLN A 42 -11.245 -4.486 -5.304 1.00 1.39 C ATOM 648 O GLN A 42 -11.885 -4.940 -4.355 1.00 1.38 O ATOM 649 CB GLN A 42 -9.875 -6.460 -6.016 1.00 1.58 C ATOM 650 CG GLN A 42 -8.554 -6.970 -6.574 1.00 1.80 C ATOM 651 CD GLN A 42 -8.734 -8.100 -7.569 1.00 2.17 C ATOM 652 OE1 GLN A 42 -9.634 -8.928 -7.430 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.872 -8.141 -8.578 1.00 2.60 N ATOM 0 H GLN A 42 -9.360 -5.131 -3.569 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.434 -4.401 -6.434 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.151 -7.062 -5.150 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.655 -6.601 -6.764 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.027 -6.147 -7.057 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -7.925 -7.312 -5.752 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.141 -7.433 -8.654 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.940 -8.880 -9.278 1.00 2.60 H new ATOM 662 N SER A 43 -11.720 -3.545 -6.113 1.00 1.55 N ATOM 663 CA SER A 43 -13.050 -2.978 -5.926 1.00 1.64 C ATOM 664 C SER A 43 -13.909 -3.169 -7.172 1.00 2.05 C ATOM 665 O SER A 43 -13.393 -3.285 -8.284 1.00 2.29 O ATOM 666 CB SER A 43 -12.946 -1.490 -5.588 1.00 1.43 C ATOM 667 OG SER A 43 -13.443 -1.227 -4.287 1.00 1.73 O ATOM 0 H SER A 43 -11.204 -3.159 -6.904 1.00 1.55 H new ATOM 0 HA SER A 43 -13.527 -3.503 -5.098 1.00 1.64 H new ATOM 0 HB2 SER A 43 -11.906 -1.170 -5.655 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.506 -0.908 -6.319 1.00 1.43 H new ATOM 0 HG SER A 43 -13.364 -0.269 -4.094 1.00 1.73 H new ATOM 673 N ASP A 44 -15.226 -3.198 -6.977 1.00 2.23 N ATOM 674 CA ASP A 44 -16.167 -3.373 -8.082 1.00 2.66 C ATOM 675 C ASP A 44 -15.805 -2.475 -9.261 1.00 2.80 C ATOM 676 O ASP A 44 -15.785 -2.919 -10.409 1.00 3.14 O ATOM 677 CB ASP A 44 -17.592 -3.067 -7.616 1.00 2.85 C ATOM 678 CG ASP A 44 -18.380 -4.323 -7.301 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.875 -4.968 -8.250 1.00 3.89 O ATOM 680 OD2 ASP A 44 -18.504 -4.662 -6.106 1.00 4.39 O ATOM 0 H ASP A 44 -15.667 -3.102 -6.062 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.110 -4.411 -8.411 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.553 -2.434 -6.730 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.110 -2.501 -8.390 1.00 2.85 H new ATOM 685 N LYS A 45 -15.519 -1.212 -8.969 1.00 2.69 N ATOM 686 CA LYS A 45 -15.157 -0.254 -10.006 1.00 2.92 C ATOM 687 C LYS A 45 -13.938 -0.735 -10.786 1.00 3.03 C ATOM 688 O LYS A 45 -14.036 -1.068 -11.968 1.00 3.65 O ATOM 689 CB LYS A 45 -14.870 1.115 -9.388 1.00 2.89 C ATOM 690 CG LYS A 45 -15.611 2.257 -10.066 1.00 2.98 C ATOM 691 CD LYS A 45 -15.199 3.603 -9.493 1.00 3.17 C ATOM 692 CE LYS A 45 -13.726 3.886 -9.741 1.00 3.22 C ATOM 693 NZ LYS A 45 -13.487 5.313 -10.092 1.00 3.62 N ATOM 0 H LYS A 45 -15.531 -0.828 -8.024 1.00 2.69 H new ATOM 0 HA LYS A 45 -15.998 -0.166 -10.694 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.142 1.092 -8.333 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -13.798 1.309 -9.437 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -15.409 2.239 -11.137 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -16.685 2.120 -9.942 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.803 4.391 -9.942 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -15.399 3.620 -8.422 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.152 3.630 -8.850 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.364 3.248 -10.548 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -12.471 5.465 -10.253 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -14.014 5.551 -10.956 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.809 5.921 -9.312 1.00 3.62 H new ATOM 707 N ALA A 46 -12.791 -0.768 -10.118 1.00 2.58 N ATOM 708 CA ALA A 46 -11.553 -1.207 -10.749 1.00 2.82 C ATOM 709 C ALA A 46 -10.628 -1.880 -9.740 1.00 2.68 C ATOM 710 O ALA A 46 -10.741 -1.658 -8.535 1.00 2.63 O ATOM 711 CB ALA A 46 -10.851 -0.027 -11.405 1.00 2.83 C ATOM 0 H ALA A 46 -12.693 -0.496 -9.140 1.00 2.58 H new ATOM 0 HA ALA A 46 -11.805 -1.941 -11.515 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -9.927 -0.367 -11.873 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.503 0.409 -12.163 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -10.620 0.724 -10.650 1.00 2.83 H new ATOM 717 N SER A 47 -9.711 -2.703 -10.242 1.00 2.96 N ATOM 718 CA SER A 47 -8.762 -3.408 -9.387 1.00 2.92 C ATOM 719 C SER A 47 -7.365 -2.812 -9.526 1.00 2.26 C ATOM 720 O SER A 47 -6.878 -2.603 -10.637 1.00 2.31 O ATOM 721 CB SER A 47 -8.733 -4.896 -9.741 1.00 3.72 C ATOM 722 OG SER A 47 -8.053 -5.117 -10.965 1.00 4.52 O ATOM 0 H SER A 47 -9.606 -2.898 -11.238 1.00 2.96 H new ATOM 0 HA SER A 47 -9.086 -3.296 -8.352 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.242 -5.453 -8.943 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.752 -5.275 -9.814 1.00 3.72 H new ATOM 0 HG SER A 47 -7.541 -4.316 -11.204 1.00 4.52 H new ATOM 728 N VAL A 48 -6.726 -2.534 -8.393 1.00 2.12 N ATOM 729 CA VAL A 48 -5.388 -1.956 -8.400 1.00 1.80 C ATOM 730 C VAL A 48 -4.421 -2.764 -7.542 1.00 1.55 C ATOM 731 O VAL A 48 -4.709 -3.077 -6.386 1.00 1.97 O ATOM 732 CB VAL A 48 -5.397 -0.501 -7.896 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.121 0.215 -8.312 1.00 2.98 C ATOM 734 CG2 VAL A 48 -6.624 0.238 -8.411 1.00 3.50 C ATOM 0 H VAL A 48 -7.112 -2.699 -7.463 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.053 -1.977 -9.437 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.442 -0.514 -6.807 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -4.145 1.242 -7.947 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.260 -0.301 -7.888 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -4.043 0.218 -9.399 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.612 1.264 -8.044 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -6.615 0.243 -9.501 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -7.525 -0.263 -8.058 1.00 3.50 H new ATOM 744 N THR A 49 -3.267 -3.085 -8.117 1.00 1.13 N ATOM 745 CA THR A 49 -2.240 -3.841 -7.412 1.00 0.98 C ATOM 746 C THR A 49 -1.024 -2.962 -7.150 1.00 0.69 C ATOM 747 O THR A 49 -0.551 -2.261 -8.045 1.00 0.71 O ATOM 748 CB THR A 49 -1.810 -5.087 -8.207 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.139 -4.695 -9.411 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.017 -5.948 -8.550 1.00 1.46 C ATOM 0 H THR A 49 -3.019 -2.832 -9.074 1.00 1.13 H new ATOM 0 HA THR A 49 -2.667 -4.169 -6.464 1.00 0.98 H new ATOM 0 HB THR A 49 -1.129 -5.670 -7.588 1.00 1.22 H new ATOM 0 HG1 THR A 49 -0.671 -3.847 -9.263 1.00 1.28 H new ATOM 0 HG21 THR A 49 -2.692 -6.824 -9.112 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.508 -6.268 -7.631 1.00 1.46 H new ATOM 0 HG23 THR A 49 -3.717 -5.370 -9.153 1.00 1.46 H new ATOM 758 N ILE A 50 -0.535 -2.979 -5.915 1.00 0.66 N ATOM 759 CA ILE A 50 0.609 -2.156 -5.543 1.00 0.49 C ATOM 760 C ILE A 50 1.913 -2.946 -5.539 1.00 0.37 C ATOM 761 O ILE A 50 2.166 -3.752 -4.641 1.00 0.36 O ATOM 762 CB ILE A 50 0.404 -1.522 -4.156 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.022 -0.980 -4.031 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.423 -0.416 -3.921 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.354 0.090 -5.048 1.00 1.01 C ATOM 0 H ILE A 50 -0.911 -3.551 -5.158 1.00 0.66 H new ATOM 0 HA ILE A 50 0.682 -1.374 -6.299 1.00 0.49 H new ATOM 0 HB ILE A 50 0.552 -2.288 -3.394 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.726 -1.805 -4.140 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.161 -0.573 -3.029 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.264 0.022 -2.936 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.429 -0.831 -3.976 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.306 0.354 -4.683 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.380 0.427 -4.900 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.674 0.933 -4.925 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.248 -0.318 -6.053 1.00 1.01 H new ATOM 777 N THR A 51 2.749 -2.686 -6.540 1.00 0.41 N ATOM 778 CA THR A 51 4.043 -3.343 -6.654 1.00 0.44 C ATOM 779 C THR A 51 5.127 -2.462 -6.043 1.00 0.40 C ATOM 780 O THR A 51 4.833 -1.390 -5.515 1.00 0.50 O ATOM 781 CB THR A 51 4.396 -3.658 -8.121 1.00 0.56 C ATOM 782 OG1 THR A 51 3.219 -3.585 -8.935 1.00 0.79 O ATOM 783 CG2 THR A 51 5.016 -5.043 -8.241 1.00 1.04 C ATOM 0 H THR A 51 2.550 -2.021 -7.287 1.00 0.41 H new ATOM 0 HA THR A 51 3.985 -4.287 -6.113 1.00 0.44 H new ATOM 0 HB THR A 51 5.121 -2.920 -8.465 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.231 -4.311 -9.594 1.00 0.79 H new ATOM 0 HG21 THR A 51 5.257 -5.244 -9.285 1.00 1.04 H new ATOM 0 HG22 THR A 51 5.926 -5.087 -7.643 1.00 1.04 H new ATOM 0 HG23 THR A 51 4.309 -5.791 -7.881 1.00 1.04 H new ATOM 791 N SER A 52 6.373 -2.915 -6.094 1.00 0.49 N ATOM 792 CA SER A 52 7.471 -2.147 -5.516 1.00 0.56 C ATOM 793 C SER A 52 8.517 -1.761 -6.557 1.00 0.56 C ATOM 794 O SER A 52 9.181 -0.733 -6.423 1.00 0.66 O ATOM 795 CB SER A 52 8.134 -2.947 -4.393 1.00 0.63 C ATOM 796 OG SER A 52 9.141 -2.186 -3.748 1.00 1.36 O ATOM 0 H SER A 52 6.648 -3.798 -6.523 1.00 0.49 H new ATOM 0 HA SER A 52 7.047 -1.226 -5.117 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.381 -3.250 -3.665 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.569 -3.860 -4.801 1.00 0.63 H new ATOM 0 HG SER A 52 9.935 -2.744 -3.610 1.00 1.36 H new ATOM 802 N ARG A 53 8.688 -2.600 -7.578 1.00 0.54 N ATOM 803 CA ARG A 53 9.686 -2.350 -8.624 1.00 0.63 C ATOM 804 C ARG A 53 11.099 -2.286 -8.031 1.00 0.58 C ATOM 805 O ARG A 53 12.039 -1.849 -8.695 1.00 0.68 O ATOM 806 CB ARG A 53 9.406 -1.044 -9.393 1.00 0.83 C ATOM 807 CG ARG A 53 8.050 -0.399 -9.124 1.00 1.39 C ATOM 808 CD ARG A 53 6.908 -1.385 -9.295 1.00 2.19 C ATOM 809 NE ARG A 53 5.807 -0.815 -10.069 1.00 2.73 N ATOM 810 CZ ARG A 53 4.938 -1.538 -10.770 1.00 3.54 C ATOM 811 NH1 ARG A 53 5.025 -2.862 -10.787 1.00 4.04 N ATOM 812 NH2 ARG A 53 3.973 -0.936 -11.452 1.00 4.23 N ATOM 0 H ARG A 53 8.151 -3.458 -7.705 1.00 0.54 H new ATOM 0 HA ARG A 53 9.617 -3.185 -9.322 1.00 0.63 H new ATOM 0 HB2 ARG A 53 10.186 -0.324 -9.147 1.00 0.83 H new ATOM 0 HB3 ARG A 53 9.486 -1.248 -10.461 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.034 0.002 -8.111 1.00 1.39 H new ATOM 0 HG3 ARG A 53 7.908 0.442 -9.802 1.00 1.39 H new ATOM 0 HD2 ARG A 53 7.275 -2.283 -9.793 1.00 2.19 H new ATOM 0 HD3 ARG A 53 6.542 -1.691 -8.315 1.00 2.19 H new ATOM 0 HE ARG A 53 5.698 0.199 -10.072 1.00 2.73 H new ATOM 0 HH11 ARG A 53 5.762 -3.331 -10.260 1.00 4.04 H new ATOM 0 HH12 ARG A 53 4.355 -3.410 -11.327 1.00 4.04 H new ATOM 0 HH21 ARG A 53 3.897 0.081 -11.439 1.00 4.23 H new ATOM 0 HH22 ARG A 53 3.306 -1.490 -11.990 1.00 4.23 H new ATOM 826 N TYR A 54 11.237 -2.703 -6.773 1.00 0.45 N ATOM 827 CA TYR A 54 12.511 -2.676 -6.077 1.00 0.41 C ATOM 828 C TYR A 54 12.330 -3.286 -4.695 1.00 0.31 C ATOM 829 O TYR A 54 11.206 -3.584 -4.292 1.00 0.28 O ATOM 830 CB TYR A 54 13.033 -1.241 -5.963 1.00 0.50 C ATOM 831 CG TYR A 54 14.030 -0.872 -7.039 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.148 -1.661 -7.276 1.00 1.89 C ATOM 833 CD2 TYR A 54 13.853 0.265 -7.818 1.00 1.77 C ATOM 834 CE1 TYR A 54 16.061 -1.329 -8.259 1.00 2.72 C ATOM 835 CE2 TYR A 54 14.761 0.604 -8.803 1.00 2.59 C ATOM 836 CZ TYR A 54 15.864 -0.196 -9.020 1.00 2.95 C ATOM 837 OH TYR A 54 16.773 0.135 -10.001 1.00 3.88 O ATOM 0 H TYR A 54 10.466 -3.068 -6.213 1.00 0.45 H new ATOM 0 HA TYR A 54 13.244 -3.255 -6.640 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.190 -0.552 -6.009 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.499 -1.109 -4.987 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.307 -2.549 -6.682 1.00 1.89 H new ATOM 0 HD2 TYR A 54 12.991 0.894 -7.651 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.925 -1.954 -8.430 1.00 2.72 H new ATOM 0 HE2 TYR A 54 14.608 1.491 -9.400 1.00 2.59 H new ATOM 0 HH TYR A 54 16.488 0.960 -10.446 1.00 3.88 H new ATOM 847 N ASP A 55 13.417 -3.468 -3.962 1.00 0.30 N ATOM 848 CA ASP A 55 13.313 -4.037 -2.627 1.00 0.24 C ATOM 849 C ASP A 55 13.280 -2.920 -1.593 1.00 0.23 C ATOM 850 O ASP A 55 14.214 -2.124 -1.490 1.00 0.28 O ATOM 851 CB ASP A 55 14.478 -4.988 -2.347 1.00 0.28 C ATOM 852 CG ASP A 55 14.748 -5.928 -3.505 1.00 1.01 C ATOM 853 OD1 ASP A 55 13.881 -6.036 -4.398 1.00 1.33 O ATOM 854 OD2 ASP A 55 15.827 -6.558 -3.520 1.00 1.52 O ATOM 0 H ASP A 55 14.364 -3.235 -4.261 1.00 0.30 H new ATOM 0 HA ASP A 55 12.388 -4.610 -2.564 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.376 -4.406 -2.138 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.260 -5.571 -1.452 1.00 0.28 H new ATOM 859 N GLY A 56 12.179 -2.848 -0.850 1.00 0.18 N ATOM 860 CA GLY A 56 12.021 -1.801 0.142 1.00 0.18 C ATOM 861 C GLY A 56 11.803 -2.324 1.546 1.00 0.15 C ATOM 862 O GLY A 56 11.510 -3.500 1.742 1.00 0.15 O ATOM 0 H GLY A 56 11.394 -3.496 -0.918 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.908 -1.167 0.133 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.176 -1.172 -0.138 1.00 0.18 H new ATOM 866 N VAL A 57 11.955 -1.442 2.528 1.00 0.18 N ATOM 867 CA VAL A 57 11.782 -1.819 3.929 1.00 0.21 C ATOM 868 C VAL A 57 10.425 -1.373 4.476 1.00 0.22 C ATOM 869 O VAL A 57 10.097 -0.189 4.455 1.00 0.26 O ATOM 870 CB VAL A 57 12.897 -1.224 4.810 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.749 -1.694 6.248 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.267 -1.592 4.260 1.00 1.11 C ATOM 0 H VAL A 57 12.197 -0.462 2.382 1.00 0.18 H new ATOM 0 HA VAL A 57 11.834 -2.907 3.963 1.00 0.21 H new ATOM 0 HB VAL A 57 12.805 -0.138 4.795 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.545 -1.264 6.855 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.782 -1.374 6.638 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.813 -2.782 6.284 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.042 -1.163 4.896 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.372 -2.677 4.242 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.370 -1.200 3.248 1.00 1.11 H new ATOM 882 N ILE A 58 9.650 -2.335 4.976 1.00 0.21 N ATOM 883 CA ILE A 58 8.329 -2.059 5.543 1.00 0.24 C ATOM 884 C ILE A 58 8.390 -2.022 7.060 1.00 0.33 C ATOM 885 O ILE A 58 8.933 -2.937 7.692 1.00 0.38 O ATOM 886 CB ILE A 58 7.301 -3.116 5.111 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.475 -3.399 3.619 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.884 -2.648 5.435 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.289 -4.071 2.967 1.00 0.17 C ATOM 0 H ILE A 58 9.916 -3.319 5.000 1.00 0.21 H new ATOM 0 HA ILE A 58 8.016 -1.085 5.166 1.00 0.24 H new ATOM 0 HB ILE A 58 7.467 -4.041 5.663 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.672 -2.459 3.104 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.354 -4.028 3.481 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.169 -3.409 5.122 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.792 -2.483 6.508 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.678 -1.718 4.906 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.499 -4.234 1.910 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.102 -5.029 3.452 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.409 -3.435 3.069 1.00 0.17 H new ATOM 901 N LYS A 59 7.838 -0.957 7.637 1.00 0.40 N ATOM 902 CA LYS A 59 7.854 -0.784 9.084 1.00 0.53 C ATOM 903 C LYS A 59 6.559 -1.248 9.741 1.00 0.52 C ATOM 904 O LYS A 59 6.601 -1.829 10.823 1.00 0.61 O ATOM 905 CB LYS A 59 8.114 0.681 9.434 1.00 0.65 C ATOM 906 CG LYS A 59 8.597 0.888 10.860 1.00 0.83 C ATOM 907 CD LYS A 59 8.011 2.152 11.470 1.00 1.03 C ATOM 908 CE LYS A 59 7.458 1.893 12.863 1.00 1.51 C ATOM 909 NZ LYS A 59 6.402 2.876 13.234 1.00 2.14 N ATOM 0 H LYS A 59 7.376 -0.205 7.126 1.00 0.40 H new ATOM 0 HA LYS A 59 8.659 -1.408 9.472 1.00 0.53 H new ATOM 0 HB2 LYS A 59 8.856 1.084 8.745 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.197 1.250 9.283 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.319 0.027 11.468 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.685 0.948 10.871 1.00 0.83 H new ATOM 0 HD2 LYS A 59 8.779 2.923 11.520 1.00 1.03 H new ATOM 0 HD3 LYS A 59 7.218 2.534 10.827 1.00 1.03 H new ATOM 0 HE2 LYS A 59 7.047 0.884 12.909 1.00 1.51 H new ATOM 0 HE3 LYS A 59 8.269 1.940 13.590 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 6.051 2.665 14.190 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 6.800 3.837 13.216 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 5.616 2.814 12.556 1.00 2.14 H new ATOM 923 N LYS A 60 5.413 -0.998 9.111 1.00 0.44 N ATOM 924 CA LYS A 60 4.147 -1.423 9.706 1.00 0.45 C ATOM 925 C LYS A 60 2.986 -1.434 8.704 1.00 0.37 C ATOM 926 O LYS A 60 2.884 -0.573 7.831 1.00 0.53 O ATOM 927 CB LYS A 60 3.819 -0.550 10.932 1.00 0.55 C ATOM 928 CG LYS A 60 2.926 0.654 10.651 1.00 0.76 C ATOM 929 CD LYS A 60 3.425 1.460 9.464 1.00 0.51 C ATOM 930 CE LYS A 60 3.751 2.889 9.863 1.00 0.71 C ATOM 931 NZ LYS A 60 2.524 3.678 10.161 1.00 1.35 N ATOM 0 H LYS A 60 5.333 -0.518 8.215 1.00 0.44 H new ATOM 0 HA LYS A 60 4.273 -2.457 10.028 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.335 -1.174 11.683 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.754 -0.196 11.366 1.00 0.55 H new ATOM 0 HG2 LYS A 60 1.908 0.315 10.458 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.888 1.292 11.534 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.313 0.985 9.047 1.00 0.51 H new ATOM 0 HD3 LYS A 60 2.668 1.463 8.680 1.00 0.51 H new ATOM 0 HE2 LYS A 60 4.399 2.882 10.739 1.00 0.71 H new ATOM 0 HE3 LYS A 60 4.307 3.372 9.059 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 2.791 4.647 10.429 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 1.916 3.707 9.317 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 2.006 3.232 10.945 1.00 1.35 H new ATOM 945 N LEU A 61 2.106 -2.418 8.871 1.00 0.35 N ATOM 946 CA LEU A 61 0.922 -2.575 8.031 1.00 0.37 C ATOM 947 C LEU A 61 -0.305 -2.749 8.930 1.00 0.56 C ATOM 948 O LEU A 61 -0.508 -3.814 9.513 1.00 0.94 O ATOM 949 CB LEU A 61 1.058 -3.793 7.099 1.00 0.39 C ATOM 950 CG LEU A 61 2.354 -3.906 6.276 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.087 -4.629 4.970 1.00 1.14 C ATOM 952 CD2 LEU A 61 2.972 -2.557 5.992 1.00 0.91 C ATOM 0 H LEU A 61 2.194 -3.131 9.595 1.00 0.35 H new ATOM 0 HA LEU A 61 0.813 -1.686 7.410 1.00 0.37 H new ATOM 0 HB2 LEU A 61 0.962 -4.694 7.704 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.217 -3.784 6.406 1.00 0.39 H new ATOM 0 HG LEU A 61 3.063 -4.476 6.876 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.012 -4.702 4.398 1.00 1.14 H new ATOM 0 HD12 LEU A 61 1.710 -5.630 5.179 1.00 1.14 H new ATOM 0 HD13 LEU A 61 1.346 -4.076 4.393 1.00 1.14 H new ATOM 0 HD21 LEU A 61 3.883 -2.690 5.409 1.00 0.91 H new ATOM 0 HD22 LEU A 61 2.267 -1.945 5.429 1.00 0.91 H new ATOM 0 HD23 LEU A 61 3.212 -2.061 6.933 1.00 0.91 H new ATOM 964 N TYR A 62 -1.098 -1.691 9.069 1.00 0.68 N ATOM 965 CA TYR A 62 -2.278 -1.725 9.934 1.00 0.88 C ATOM 966 C TYR A 62 -3.455 -2.473 9.307 1.00 0.75 C ATOM 967 O TYR A 62 -4.117 -3.268 9.975 1.00 0.87 O ATOM 968 CB TYR A 62 -2.708 -0.300 10.288 1.00 1.16 C ATOM 969 CG TYR A 62 -3.446 -0.198 11.605 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.001 -0.887 12.726 1.00 1.55 C ATOM 971 CD2 TYR A 62 -4.587 0.586 11.727 1.00 1.81 C ATOM 972 CE1 TYR A 62 -3.671 -0.798 13.931 1.00 2.07 C ATOM 973 CE2 TYR A 62 -5.262 0.681 12.929 1.00 2.35 C ATOM 974 CZ TYR A 62 -4.801 -0.013 14.027 1.00 2.38 C ATOM 975 OH TYR A 62 -5.470 0.080 15.226 1.00 3.08 O ATOM 0 H TYR A 62 -0.947 -0.800 8.596 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.992 -2.269 10.834 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.825 0.338 10.326 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.346 0.086 9.493 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -2.116 -1.503 12.654 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -4.952 1.130 10.868 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -3.312 -1.340 14.793 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -6.146 1.296 13.008 1.00 2.35 H new ATOM 0 HH TYR A 62 -6.243 0.673 15.124 1.00 3.08 H new ATOM 985 N TYR A 63 -3.731 -2.204 8.037 1.00 0.64 N ATOM 986 CA TYR A 63 -4.851 -2.845 7.350 1.00 0.62 C ATOM 987 C TYR A 63 -4.453 -4.201 6.771 1.00 0.63 C ATOM 988 O TYR A 63 -3.355 -4.362 6.237 1.00 0.73 O ATOM 989 CB TYR A 63 -5.385 -1.926 6.248 1.00 0.79 C ATOM 990 CG TYR A 63 -5.893 -0.597 6.770 1.00 1.02 C ATOM 991 CD1 TYR A 63 -5.011 0.370 7.236 1.00 1.28 C ATOM 992 CD2 TYR A 63 -7.253 -0.310 6.802 1.00 1.16 C ATOM 993 CE1 TYR A 63 -5.465 1.581 7.718 1.00 1.56 C ATOM 994 CE2 TYR A 63 -7.714 0.903 7.283 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.816 1.842 7.740 1.00 1.60 C ATOM 996 OH TYR A 63 -7.271 3.049 8.220 1.00 1.93 O ATOM 0 H TYR A 63 -3.199 -1.550 7.462 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.640 -3.020 8.082 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.594 -1.744 5.521 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.192 -2.434 5.720 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.950 0.170 7.221 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -7.960 -1.045 6.446 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -4.764 2.320 8.076 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -8.773 1.112 7.300 1.00 1.45 H new ATOM 0 HH TYR A 63 -8.021 3.358 7.670 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.354 -5.178 6.887 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.094 -6.522 6.380 1.00 0.67 C ATOM 1008 C ASN A 64 -6.058 -6.905 5.263 1.00 0.49 C ATOM 1009 O ASN A 64 -6.844 -6.088 4.782 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.199 -7.557 7.502 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.323 -7.220 8.693 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -3.885 -6.081 8.855 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -4.060 -8.215 9.533 1.00 1.03 N ATOM 0 H ASN A 64 -6.267 -5.062 7.327 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.080 -6.514 5.979 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.237 -7.629 7.828 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.918 -8.536 7.115 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -3.474 -8.050 10.351 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -4.444 -9.144 9.360 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.967 -8.165 4.861 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.786 -8.727 3.801 1.00 0.54 C ATOM 1022 C LEU A 65 -8.285 -8.538 4.043 1.00 0.66 C ATOM 1023 O LEU A 65 -9.072 -8.508 3.098 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.474 -10.216 3.684 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.262 -10.561 2.820 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.410 -11.623 3.499 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.705 -11.028 1.442 1.00 1.04 C ATOM 0 H LEU A 65 -5.313 -8.833 5.269 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.546 -8.198 2.879 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.313 -10.617 4.685 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.348 -10.723 3.275 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.657 -9.662 2.698 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.551 -11.857 2.870 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.063 -11.250 4.463 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.004 -12.524 3.651 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.829 -11.269 0.840 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.332 -11.914 1.542 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.273 -10.236 0.954 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.686 -8.442 5.303 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.102 -8.293 5.631 1.00 0.92 C ATOM 1041 C ASP A 66 -10.480 -6.845 5.925 1.00 0.87 C ATOM 1042 O ASP A 66 -11.640 -6.459 5.777 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.458 -9.173 6.830 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.849 -9.765 6.718 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.611 -9.327 5.831 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.176 -10.668 7.517 1.00 2.33 O ATOM 0 H ASP A 66 -8.061 -8.464 6.109 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.670 -8.609 4.756 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.729 -9.979 6.915 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.390 -8.583 7.744 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.513 -6.051 6.358 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.776 -4.656 6.689 1.00 0.81 C ATOM 1053 C ASP A 67 -9.907 -3.782 5.445 1.00 0.69 C ATOM 1054 O ASP A 67 -9.333 -4.073 4.386 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.677 -4.104 7.596 1.00 0.92 C ATOM 1056 CG ASP A 67 -9.236 -3.420 8.828 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.489 -4.118 9.832 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -9.420 -2.185 8.789 1.00 1.85 O ATOM 0 H ASP A 67 -8.545 -6.344 6.488 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.730 -4.629 7.215 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -8.019 -4.917 7.902 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.068 -3.395 7.035 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.664 -2.697 5.604 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.896 -1.734 4.535 1.00 0.78 C ATOM 1065 C ILE A 68 -10.135 -0.455 4.807 1.00 0.99 C ATOM 1066 O ILE A 68 -10.038 -0.013 5.950 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.385 -1.356 4.389 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.300 -2.479 4.880 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.690 -1.003 2.942 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.062 -3.792 4.180 1.00 1.10 C ATOM 0 H ILE A 68 -11.133 -2.463 6.479 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.557 -2.215 3.618 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.579 -0.485 5.014 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -13.154 -2.615 5.952 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.339 -2.181 4.735 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.743 -0.737 2.846 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.073 -0.158 2.636 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.473 -1.860 2.305 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.744 -4.544 4.576 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.236 -3.671 3.111 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.033 -4.112 4.346 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.613 0.148 3.756 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.881 1.388 3.898 1.00 1.34 C ATOM 1084 C ALA A 69 -9.655 2.542 3.272 1.00 1.19 C ATOM 1085 O ALA A 69 -10.487 2.335 2.373 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.496 1.262 3.284 1.00 2.16 C ATOM 0 H ALA A 69 -9.683 -0.200 2.800 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.761 1.601 4.960 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.960 2.204 3.400 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.946 0.467 3.787 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.588 1.025 2.224 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.366 3.752 3.749 1.00 1.18 N ATOM 1093 CA TYR A 70 -10.013 4.964 3.252 1.00 1.38 C ATOM 1094 C TYR A 70 -8.980 5.891 2.617 1.00 1.17 C ATOM 1095 O TYR A 70 -7.824 5.923 3.036 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.744 5.711 4.382 1.00 1.97 C ATOM 1097 CG TYR A 70 -11.025 4.879 5.620 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.992 4.420 6.429 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -12.328 4.556 5.978 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -10.251 3.664 7.557 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -12.594 3.801 7.104 1.00 4.07 C ATOM 1102 CZ TYR A 70 -11.553 3.357 7.890 1.00 4.67 C ATOM 1103 OH TYR A 70 -11.816 2.604 9.011 1.00 5.65 O ATOM 0 H TYR A 70 -8.681 3.919 4.486 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.746 4.665 2.503 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -10.148 6.576 4.671 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.690 6.091 3.995 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -8.970 4.658 6.172 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -13.148 4.901 5.365 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -9.437 3.315 8.175 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -13.613 3.560 7.367 1.00 4.07 H new ATOM 0 HH TYR A 70 -12.784 2.480 9.102 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.400 6.644 1.605 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.502 7.568 0.921 1.00 2.02 C ATOM 1115 C VAL A 71 -8.383 8.883 1.677 1.00 2.00 C ATOM 1116 O VAL A 71 -9.381 9.437 2.140 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.975 7.863 -0.513 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.943 8.696 -1.258 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -9.262 6.569 -1.252 1.00 3.61 C ATOM 0 H VAL A 71 -10.353 6.633 1.242 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.528 7.081 0.882 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.899 8.439 -0.461 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.297 8.894 -2.270 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.792 9.641 -0.735 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.000 8.152 -1.303 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -9.596 6.795 -2.265 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -8.355 5.966 -1.295 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.042 6.016 -0.728 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.159 9.382 1.795 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.937 10.632 2.491 1.00 1.87 C ATOM 1131 C GLY A 72 -6.028 10.489 3.698 1.00 1.57 C ATOM 1132 O GLY A 72 -5.804 11.458 4.423 1.00 1.63 O ATOM 0 H GLY A 72 -6.318 8.943 1.421 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.502 11.353 1.800 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.896 11.037 2.812 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.503 9.285 3.926 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.620 9.057 5.065 1.00 1.09 C ATOM 1138 C LYS A 73 -3.666 7.884 4.823 1.00 0.83 C ATOM 1139 O LYS A 73 -4.078 6.818 4.364 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.443 8.801 6.328 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.639 10.040 7.187 1.00 1.59 C ATOM 1142 CD LYS A 73 -4.471 10.250 8.135 1.00 1.98 C ATOM 1143 CE LYS A 73 -4.685 11.469 9.018 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.534 12.409 8.957 1.00 2.96 N ATOM 0 H LYS A 73 -5.672 8.464 3.345 1.00 1.31 H new ATOM 0 HA LYS A 73 -4.018 9.956 5.195 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.419 8.409 6.042 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.951 8.031 6.922 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.751 10.915 6.546 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -6.561 9.945 7.760 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -4.343 9.365 8.759 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -3.552 10.371 7.561 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -5.593 11.987 8.708 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -4.837 11.148 10.049 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -3.720 13.226 9.573 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -2.672 11.923 9.277 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -3.404 12.736 7.978 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.368 8.072 5.135 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.332 7.039 4.961 1.00 0.64 C ATOM 1160 C PRO A 74 -1.743 5.668 5.483 1.00 0.53 C ATOM 1161 O PRO A 74 -2.551 5.557 6.406 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.177 7.608 5.782 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.316 9.066 5.577 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.790 9.319 5.683 1.00 0.91 C ATOM 0 HA PRO A 74 -1.104 6.856 3.911 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.258 7.338 6.835 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.788 7.241 5.432 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.239 9.628 6.329 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.070 9.369 4.604 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -2.099 9.491 6.714 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.094 10.194 5.109 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.175 4.622 4.882 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.478 3.255 5.283 1.00 0.49 C ATOM 1174 C LEU A 75 -0.212 2.533 5.755 1.00 0.46 C ATOM 1175 O LEU A 75 -0.205 1.916 6.820 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.135 2.511 4.109 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.025 0.983 4.128 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.243 0.447 5.533 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -3.025 0.368 3.159 1.00 1.32 C ATOM 0 H LEU A 75 -0.504 4.699 4.117 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.174 3.274 6.121 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -3.192 2.778 4.083 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -1.691 2.875 3.182 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.020 0.706 3.810 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -2.161 -0.640 5.525 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.490 0.863 6.202 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -3.235 0.733 5.882 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.935 -0.718 3.184 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -4.036 0.655 3.449 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.821 0.726 2.150 1.00 1.32 H new ATOM 1191 N VAL A 76 0.858 2.617 4.965 1.00 0.32 N ATOM 1192 CA VAL A 76 2.119 1.970 5.328 1.00 0.29 C ATOM 1193 C VAL A 76 3.329 2.821 4.934 1.00 0.27 C ATOM 1194 O VAL A 76 3.323 3.496 3.909 1.00 0.35 O ATOM 1195 CB VAL A 76 2.241 0.565 4.677 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.846 0.622 3.210 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.649 -0.009 4.832 1.00 0.47 C ATOM 0 H VAL A 76 0.878 3.121 4.078 1.00 0.32 H new ATOM 0 HA VAL A 76 2.111 1.860 6.412 1.00 0.29 H new ATOM 0 HB VAL A 76 1.555 -0.102 5.200 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.937 -0.371 2.770 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.814 0.964 3.124 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.503 1.314 2.683 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.695 -0.992 4.364 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.368 0.655 4.352 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.890 -0.100 5.891 1.00 0.47 H new ATOM 1207 N ASP A 77 4.388 2.728 5.733 1.00 0.30 N ATOM 1208 CA ASP A 77 5.630 3.439 5.450 1.00 0.41 C ATOM 1209 C ASP A 77 6.662 2.450 4.924 1.00 0.38 C ATOM 1210 O ASP A 77 6.991 1.470 5.594 1.00 0.41 O ATOM 1211 CB ASP A 77 6.164 4.129 6.703 1.00 0.58 C ATOM 1212 CG ASP A 77 5.099 4.944 7.410 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.054 5.223 6.786 1.00 1.10 O ATOM 1214 OD2 ASP A 77 5.310 5.304 8.587 1.00 0.87 O ATOM 0 H ASP A 77 4.410 2.166 6.584 1.00 0.30 H new ATOM 0 HA ASP A 77 5.433 4.206 4.701 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.558 3.378 7.388 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.995 4.780 6.430 1.00 0.58 H new ATOM 1219 N ILE A 78 7.149 2.688 3.715 1.00 0.44 N ATOM 1220 CA ILE A 78 8.117 1.785 3.101 1.00 0.42 C ATOM 1221 C ILE A 78 9.286 2.541 2.497 1.00 0.41 C ATOM 1222 O ILE A 78 9.128 3.656 2.018 1.00 0.51 O ATOM 1223 CB ILE A 78 7.470 0.930 1.990 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.967 0.763 2.234 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.154 -0.424 1.904 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.145 1.917 1.710 1.00 0.86 C ATOM 0 H ILE A 78 6.894 3.492 3.142 1.00 0.44 H new ATOM 0 HA ILE A 78 8.476 1.138 3.902 1.00 0.42 H new ATOM 0 HB ILE A 78 7.600 1.446 1.039 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.629 -0.159 1.761 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.789 0.656 3.304 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.689 -1.017 1.117 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.211 -0.284 1.676 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.054 -0.943 2.857 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.090 1.735 1.915 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.457 2.839 2.202 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.294 2.011 0.634 1.00 0.86 H new ATOM 1238 N GLU A 79 10.457 1.917 2.495 1.00 0.29 N ATOM 1239 CA GLU A 79 11.637 2.544 1.920 1.00 0.29 C ATOM 1240 C GLU A 79 11.865 2.022 0.508 1.00 0.47 C ATOM 1241 O GLU A 79 12.139 0.841 0.313 1.00 0.79 O ATOM 1242 CB GLU A 79 12.867 2.265 2.788 1.00 0.62 C ATOM 1243 CG GLU A 79 13.316 3.460 3.612 1.00 0.92 C ATOM 1244 CD GLU A 79 14.711 3.928 3.248 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.983 4.103 2.041 1.00 1.09 O ATOM 1246 OE2 GLU A 79 15.533 4.119 4.169 1.00 1.39 O ATOM 0 H GLU A 79 10.613 0.986 2.881 1.00 0.29 H new ATOM 0 HA GLU A 79 11.477 3.621 1.881 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.647 1.434 3.459 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.689 1.947 2.147 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.613 4.280 3.469 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.289 3.198 4.670 1.00 0.92 H new ATOM 1253 N THR A 80 11.740 2.918 -0.468 1.00 0.64 N ATOM 1254 CA THR A 80 11.920 2.572 -1.874 1.00 1.05 C ATOM 1255 C THR A 80 12.658 3.687 -2.608 1.00 1.00 C ATOM 1256 O THR A 80 12.641 4.839 -2.175 1.00 1.22 O ATOM 1257 CB THR A 80 10.567 2.326 -2.577 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.544 3.115 -1.959 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.177 0.853 -2.526 1.00 1.18 C ATOM 0 H THR A 80 11.512 3.899 -0.307 1.00 0.64 H new ATOM 0 HA THR A 80 12.506 1.653 -1.905 1.00 1.05 H new ATOM 0 HB THR A 80 10.674 2.617 -3.622 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.704 3.004 -2.451 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.220 0.712 -3.029 1.00 1.18 H new ATOM 0 HG22 THR A 80 10.941 0.257 -3.025 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.091 0.535 -1.487 1.00 1.18 H new ATOM 1267 N GLU A 81 13.303 3.345 -3.717 1.00 1.27 N ATOM 1268 CA GLU A 81 14.040 4.332 -4.497 1.00 1.30 C ATOM 1269 C GLU A 81 13.120 5.472 -4.923 1.00 1.99 C ATOM 1270 O GLU A 81 11.922 5.272 -5.125 1.00 2.56 O ATOM 1271 CB GLU A 81 14.665 3.679 -5.732 1.00 1.53 C ATOM 1272 CG GLU A 81 16.131 4.029 -5.927 1.00 1.62 C ATOM 1273 CD GLU A 81 17.053 2.858 -5.644 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.785 2.113 -4.678 1.00 3.13 O ATOM 1275 OE2 GLU A 81 18.042 2.688 -6.387 1.00 2.85 O ATOM 0 H GLU A 81 13.331 2.398 -4.095 1.00 1.27 H new ATOM 0 HA GLU A 81 14.835 4.737 -3.871 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.566 2.597 -5.650 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.106 3.984 -6.617 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.286 4.370 -6.951 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.393 4.859 -5.271 1.00 1.62 H new ATOM 1282 N ALA A 82 13.685 6.669 -5.050 1.00 2.01 N ATOM 1283 CA ALA A 82 12.916 7.847 -5.443 1.00 2.67 C ATOM 1284 C ALA A 82 11.996 7.549 -6.623 1.00 3.02 C ATOM 1285 O ALA A 82 12.458 7.295 -7.735 1.00 3.10 O ATOM 1286 CB ALA A 82 13.853 8.996 -5.783 1.00 2.85 C ATOM 0 H ALA A 82 14.675 6.850 -4.886 1.00 2.01 H new ATOM 0 HA ALA A 82 12.290 8.133 -4.598 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.268 9.868 -6.074 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.460 9.241 -4.911 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.503 8.703 -6.607 1.00 2.85 H new ATOM 1292 N LEU A 83 10.691 7.584 -6.371 1.00 3.31 N ATOM 1293 CA LEU A 83 9.704 7.320 -7.412 1.00 3.73 C ATOM 1294 C LEU A 83 8.738 8.492 -7.557 1.00 4.31 C ATOM 1295 O LEU A 83 8.247 9.033 -6.566 1.00 4.31 O ATOM 1296 CB LEU A 83 8.929 6.039 -7.098 1.00 3.56 C ATOM 1297 CG LEU A 83 8.860 5.028 -8.243 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.256 4.558 -8.625 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.987 3.844 -7.855 1.00 3.60 C ATOM 0 H LEU A 83 10.293 7.792 -5.455 1.00 3.31 H new ATOM 0 HA LEU A 83 10.234 7.192 -8.356 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.388 5.557 -6.235 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.913 6.308 -6.810 1.00 3.56 H new ATOM 0 HG LEU A 83 8.413 5.518 -9.108 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.187 3.839 -9.441 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.853 5.412 -8.943 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.729 4.085 -7.764 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.949 3.134 -8.681 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.407 3.355 -6.976 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.979 4.193 -7.630 1.00 3.60 H new