USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 Single : A 4 LYS NZ :NH3+ -179:sc= 0.292 (180deg=0.292) USER MOD Single : A 10 SER OG : rot 60:sc= 0.0421 USER MOD Single : A 11 SER OG : rot 180:sc= -0.355 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 22 LYS NZ :NH3+ -110:sc= 1.25 (180deg=-0.153) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0.988 (180deg=0.904) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.0212 (180deg=-0.599) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0508) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 0.246 (180deg=-0.295) USER MOD Single : A 47 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.05) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 0.261 (180deg=0.181) USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 0.0424 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.64) USER MOD Single : A 58 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 67 LYS NZ :NH3+ -132:sc= 0.511 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.71 (180deg=0.708) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -132:sc= 0.825 (180deg=-0.00478) USER MOD Single : A 78 GLN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= 0.722 (180deg=0.416) USER MOD Single : A 85 THR OG1 : rot 64:sc= 0.302 USER MOD Single : A 89 GLN : amide:sc= -2.39 K(o=-2.4,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.22) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0552 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 0.740 10.531 -8.913 1.00 52.01 N ATOM 39 CA LYS A 4 1.574 9.908 -7.891 1.00 2.03 C ATOM 40 C LYS A 4 0.852 8.667 -7.388 1.00 34.53 C ATOM 41 O LYS A 4 -0.355 8.732 -7.092 1.00 72.24 O ATOM 42 CB LYS A 4 1.795 10.886 -6.710 1.00 61.54 C ATOM 43 CG LYS A 4 2.738 10.356 -5.601 1.00 62.23 C ATOM 44 CD LYS A 4 2.610 11.132 -4.278 1.00 4.14 C ATOM 45 CE LYS A 4 2.681 12.664 -4.449 1.00 0.32 C ATOM 46 NZ LYS A 4 4.001 13.114 -4.937 1.00 22.21 N ATOM 0 HA LYS A 4 2.545 9.647 -8.313 1.00 2.03 H new ATOM 0 HB2 LYS A 4 2.202 11.819 -7.100 1.00 61.54 H new ATOM 0 HB3 LYS A 4 0.828 11.121 -6.265 1.00 61.54 H new ATOM 0 HG2 LYS A 4 2.521 9.303 -5.420 1.00 62.23 H new ATOM 0 HG3 LYS A 4 3.769 10.413 -5.951 1.00 62.23 H new ATOM 0 HD2 LYS A 4 1.664 10.872 -3.804 1.00 4.14 H new ATOM 0 HD3 LYS A 4 3.403 10.813 -3.602 1.00 4.14 H new ATOM 0 HE2 LYS A 4 1.909 12.985 -5.148 1.00 0.32 H new ATOM 0 HE3 LYS A 4 2.466 13.144 -3.494 1.00 0.32 H new ATOM 0 HZ1 LYS A 4 4.006 14.151 -5.020 1.00 22.21 H new ATOM 0 HZ2 LYS A 4 4.739 12.817 -4.267 1.00 22.21 H new ATOM 0 HZ3 LYS A 4 4.189 12.692 -5.868 1.00 22.21 H new ATOM 60 N ILE A 5 1.570 7.540 -7.300 1.00 11.11 N ATOM 61 CA ILE A 5 1.023 6.314 -6.720 1.00 64.11 C ATOM 62 C ILE A 5 1.727 6.029 -5.389 1.00 40.11 C ATOM 63 O ILE A 5 2.941 6.250 -5.234 1.00 41.23 O ATOM 64 CB ILE A 5 1.104 5.073 -7.692 1.00 34.31 C ATOM 65 CG1 ILE A 5 2.560 4.558 -7.877 1.00 25.21 C ATOM 66 CG2 ILE A 5 0.460 5.414 -9.062 1.00 74.40 C ATOM 67 CD1 ILE A 5 2.669 3.271 -8.671 1.00 23.11 C ATOM 0 H ILE A 5 2.533 7.455 -7.625 1.00 11.11 H new ATOM 0 HA ILE A 5 -0.041 6.475 -6.547 1.00 64.11 H new ATOM 0 HB ILE A 5 0.540 4.263 -7.229 1.00 34.31 H new ATOM 0 HG12 ILE A 5 3.146 5.330 -8.376 1.00 25.21 H new ATOM 0 HG13 ILE A 5 3.006 4.404 -6.895 1.00 25.21 H new ATOM 0 HG21 ILE A 5 0.524 4.547 -9.720 1.00 74.40 H new ATOM 0 HG22 ILE A 5 -0.586 5.681 -8.916 1.00 74.40 H new ATOM 0 HG23 ILE A 5 0.989 6.253 -9.514 1.00 74.40 H new ATOM 0 HD11 ILE A 5 3.717 2.982 -8.753 1.00 23.11 H new ATOM 0 HD12 ILE A 5 2.114 2.482 -8.164 1.00 23.11 H new ATOM 0 HD13 ILE A 5 2.255 3.422 -9.668 1.00 23.11 H new ATOM 79 N ILE A 6 0.934 5.597 -4.419 1.00 62.12 N ATOM 80 CA ILE A 6 1.410 5.243 -3.084 1.00 50.41 C ATOM 81 C ILE A 6 1.217 3.742 -2.894 1.00 53.25 C ATOM 82 O ILE A 6 0.140 3.218 -3.158 1.00 3.53 O ATOM 83 CB ILE A 6 0.620 6.027 -1.977 1.00 53.12 C ATOM 84 CG1 ILE A 6 0.782 7.572 -2.153 1.00 43.22 C ATOM 85 CG2 ILE A 6 1.046 5.578 -0.557 1.00 64.02 C ATOM 86 CD1 ILE A 6 2.191 8.108 -1.969 1.00 63.24 C ATOM 0 H ILE A 6 -0.072 5.480 -4.536 1.00 62.12 H new ATOM 0 HA ILE A 6 2.463 5.510 -2.991 1.00 50.41 H new ATOM 0 HB ILE A 6 -0.437 5.789 -2.096 1.00 53.12 H new ATOM 0 HG12 ILE A 6 0.436 7.845 -3.150 1.00 43.22 H new ATOM 0 HG13 ILE A 6 0.126 8.072 -1.440 1.00 43.22 H new ATOM 0 HG21 ILE A 6 0.481 6.139 0.187 1.00 64.02 H new ATOM 0 HG22 ILE A 6 0.846 4.513 -0.437 1.00 64.02 H new ATOM 0 HG23 ILE A 6 2.111 5.765 -0.421 1.00 64.02 H new ATOM 0 HD11 ILE A 6 2.191 9.188 -2.113 1.00 63.24 H new ATOM 0 HD12 ILE A 6 2.540 7.876 -0.963 1.00 63.24 H new ATOM 0 HD13 ILE A 6 2.855 7.645 -2.699 1.00 63.24 H new ATOM 98 N VAL A 7 2.266 3.063 -2.434 1.00 34.05 N ATOM 99 CA VAL A 7 2.221 1.634 -2.142 1.00 13.34 C ATOM 100 C VAL A 7 2.364 1.444 -0.625 1.00 35.21 C ATOM 101 O VAL A 7 3.437 1.686 -0.054 1.00 45.03 O ATOM 102 CB VAL A 7 3.314 0.823 -2.914 1.00 51.23 C ATOM 103 CG1 VAL A 7 3.180 -0.686 -2.603 1.00 42.43 C ATOM 104 CG2 VAL A 7 3.230 1.082 -4.445 1.00 72.32 C ATOM 0 H VAL A 7 3.174 3.491 -2.253 1.00 34.05 H new ATOM 0 HA VAL A 7 1.264 1.241 -2.485 1.00 13.34 H new ATOM 0 HB VAL A 7 4.293 1.162 -2.576 1.00 51.23 H new ATOM 0 HG11 VAL A 7 3.946 -1.239 -3.146 1.00 42.43 H new ATOM 0 HG12 VAL A 7 3.305 -0.849 -1.533 1.00 42.43 H new ATOM 0 HG13 VAL A 7 2.194 -1.035 -2.911 1.00 42.43 H new ATOM 0 HG21 VAL A 7 4.002 0.505 -4.955 1.00 72.32 H new ATOM 0 HG22 VAL A 7 2.249 0.780 -4.812 1.00 72.32 H new ATOM 0 HG23 VAL A 7 3.380 2.143 -4.643 1.00 72.32 H new ATOM 114 N ILE A 8 1.265 1.021 0.000 1.00 1.12 N ATOM 115 CA ILE A 8 1.135 0.884 1.446 1.00 10.20 C ATOM 116 C ILE A 8 1.229 -0.589 1.828 1.00 13.52 C ATOM 117 O ILE A 8 0.445 -1.412 1.371 1.00 10.10 O ATOM 118 CB ILE A 8 -0.226 1.478 1.951 1.00 51.23 C ATOM 119 CG1 ILE A 8 -0.337 2.985 1.555 1.00 12.13 C ATOM 120 CG2 ILE A 8 -0.405 1.270 3.482 1.00 0.11 C ATOM 121 CD1 ILE A 8 -1.640 3.647 1.936 1.00 42.34 C ATOM 0 H ILE A 8 0.418 0.757 -0.503 1.00 1.12 H new ATOM 0 HA ILE A 8 1.944 1.441 1.919 1.00 10.20 H new ATOM 0 HB ILE A 8 -1.038 0.939 1.464 1.00 51.23 H new ATOM 0 HG12 ILE A 8 0.482 3.530 2.024 1.00 12.13 H new ATOM 0 HG13 ILE A 8 -0.203 3.073 0.477 1.00 12.13 H new ATOM 0 HG21 ILE A 8 -1.358 1.694 3.798 1.00 0.11 H new ATOM 0 HG22 ILE A 8 -0.389 0.204 3.709 1.00 0.11 H new ATOM 0 HG23 ILE A 8 0.407 1.767 4.014 1.00 0.11 H new ATOM 0 HD11 ILE A 8 -1.624 4.690 1.621 1.00 42.34 H new ATOM 0 HD12 ILE A 8 -2.466 3.133 1.446 1.00 42.34 H new ATOM 0 HD13 ILE A 8 -1.771 3.597 3.017 1.00 42.34 H new ATOM 133 N ILE A 9 2.164 -0.877 2.711 1.00 65.32 N ATOM 134 CA ILE A 9 2.432 -2.208 3.223 1.00 34.21 C ATOM 135 C ILE A 9 1.617 -2.356 4.507 1.00 72.24 C ATOM 136 O ILE A 9 1.993 -1.799 5.540 1.00 34.42 O ATOM 137 CB ILE A 9 3.971 -2.435 3.516 1.00 53.21 C ATOM 138 CG1 ILE A 9 4.824 -2.397 2.197 1.00 63.02 C ATOM 139 CG2 ILE A 9 4.209 -3.766 4.293 1.00 34.22 C ATOM 140 CD1 ILE A 9 4.998 -1.035 1.527 1.00 31.20 C ATOM 0 H ILE A 9 2.780 -0.167 3.106 1.00 65.32 H new ATOM 0 HA ILE A 9 2.152 -2.955 2.481 1.00 34.21 H new ATOM 0 HB ILE A 9 4.303 -1.611 4.148 1.00 53.21 H new ATOM 0 HG12 ILE A 9 5.814 -2.794 2.421 1.00 63.02 H new ATOM 0 HG13 ILE A 9 4.365 -3.074 1.476 1.00 63.02 H new ATOM 0 HG21 ILE A 9 5.275 -3.893 4.479 1.00 34.22 H new ATOM 0 HG22 ILE A 9 3.676 -3.733 5.243 1.00 34.22 H new ATOM 0 HG23 ILE A 9 3.842 -4.604 3.700 1.00 34.22 H new ATOM 0 HD11 ILE A 9 5.605 -1.146 0.629 1.00 31.20 H new ATOM 0 HD12 ILE A 9 4.021 -0.635 1.257 1.00 31.20 H new ATOM 0 HD13 ILE A 9 5.492 -0.351 2.217 1.00 31.20 H new ATOM 152 N SER A 10 0.477 -3.045 4.423 1.00 23.23 N ATOM 153 CA SER A 10 -0.379 -3.289 5.585 1.00 65.41 C ATOM 154 C SER A 10 -0.071 -4.696 6.122 1.00 23.11 C ATOM 155 O SER A 10 -0.434 -5.707 5.503 1.00 1.44 O ATOM 156 CB SER A 10 -1.870 -3.116 5.209 1.00 53.14 C ATOM 157 OG SER A 10 -2.726 -3.293 6.333 1.00 4.11 O ATOM 0 H SER A 10 0.124 -3.447 3.555 1.00 23.23 H new ATOM 0 HA SER A 10 -0.175 -2.561 6.371 1.00 65.41 H new ATOM 0 HB2 SER A 10 -2.025 -2.123 4.788 1.00 53.14 H new ATOM 0 HB3 SER A 10 -2.135 -3.836 4.434 1.00 53.14 H new ATOM 0 HG SER A 10 -2.504 -2.631 7.021 1.00 4.11 H new ATOM 163 N SER A 11 0.669 -4.744 7.237 1.00 53.23 N ATOM 164 CA SER A 11 1.008 -5.989 7.933 1.00 63.43 C ATOM 165 C SER A 11 -0.089 -6.292 8.967 1.00 20.13 C ATOM 166 O SER A 11 0.097 -6.060 10.171 1.00 52.33 O ATOM 167 CB SER A 11 2.404 -5.855 8.586 1.00 34.14 C ATOM 168 OG SER A 11 3.364 -5.430 7.641 1.00 12.23 O ATOM 0 H SER A 11 1.052 -3.911 7.684 1.00 53.23 H new ATOM 0 HA SER A 11 1.056 -6.823 7.233 1.00 63.43 H new ATOM 0 HB2 SER A 11 2.358 -5.142 9.409 1.00 34.14 H new ATOM 0 HB3 SER A 11 2.705 -6.813 9.010 1.00 34.14 H new ATOM 0 HG SER A 11 4.238 -5.350 8.076 1.00 12.23 H new ATOM 174 N ASP A 12 -1.267 -6.729 8.440 1.00 61.01 N ATOM 175 CA ASP A 12 -2.505 -7.079 9.209 1.00 23.21 C ATOM 176 C ASP A 12 -2.917 -6.013 10.269 1.00 24.33 C ATOM 177 O ASP A 12 -3.685 -6.300 11.198 1.00 51.31 O ATOM 178 CB ASP A 12 -2.420 -8.520 9.820 1.00 64.22 C ATOM 179 CG ASP A 12 -1.386 -8.703 10.962 1.00 61.01 C ATOM 180 OD1 ASP A 12 -1.722 -8.455 12.144 1.00 61.34 O ATOM 181 OD2 ASP A 12 -0.238 -9.114 10.683 1.00 40.43 O ATOM 0 H ASP A 12 -1.389 -6.853 7.435 1.00 61.01 H new ATOM 0 HA ASP A 12 -3.314 -7.076 8.478 1.00 23.21 H new ATOM 0 HB2 ASP A 12 -3.405 -8.794 10.198 1.00 64.22 H new ATOM 0 HB3 ASP A 12 -2.180 -9.221 9.021 1.00 64.22 H new ATOM 186 N ASP A 13 -2.462 -4.767 10.069 1.00 52.12 N ATOM 187 CA ASP A 13 -2.738 -3.630 10.975 1.00 2.13 C ATOM 188 C ASP A 13 -4.099 -2.986 10.652 1.00 50.25 C ATOM 189 O ASP A 13 -4.800 -3.433 9.751 1.00 22.04 O ATOM 190 CB ASP A 13 -1.607 -2.572 10.863 1.00 12.03 C ATOM 191 CG ASP A 13 -1.384 -2.078 9.421 1.00 54.34 C ATOM 192 OD1 ASP A 13 -2.243 -1.336 8.889 1.00 24.31 O ATOM 193 OD2 ASP A 13 -0.350 -2.435 8.818 1.00 14.43 O ATOM 0 H ASP A 13 -1.886 -4.513 9.267 1.00 52.12 H new ATOM 0 HA ASP A 13 -2.774 -4.008 11.997 1.00 2.13 H new ATOM 0 HB2 ASP A 13 -1.849 -1.721 11.499 1.00 12.03 H new ATOM 0 HB3 ASP A 13 -0.679 -2.999 11.242 1.00 12.03 H new ATOM 198 N THR A 14 -4.438 -1.928 11.401 1.00 73.01 N ATOM 199 CA THR A 14 -5.662 -1.131 11.206 1.00 0.51 C ATOM 200 C THR A 14 -5.321 0.264 10.638 1.00 32.05 C ATOM 201 O THR A 14 -5.957 0.738 9.680 1.00 50.25 O ATOM 202 CB THR A 14 -6.410 -0.976 12.573 1.00 53.34 C ATOM 203 OG1 THR A 14 -6.786 -2.273 13.064 1.00 1.55 O ATOM 204 CG2 THR A 14 -7.655 -0.066 12.470 1.00 21.03 C ATOM 0 H THR A 14 -3.861 -1.594 12.173 1.00 73.01 H new ATOM 0 HA THR A 14 -6.304 -1.647 10.493 1.00 0.51 H new ATOM 0 HB THR A 14 -5.723 -0.495 13.270 1.00 53.34 H new ATOM 0 HG1 THR A 14 -7.253 -2.176 13.920 1.00 1.55 H new ATOM 0 HG21 THR A 14 -8.135 0.006 13.446 1.00 21.03 H new ATOM 0 HG22 THR A 14 -7.353 0.928 12.140 1.00 21.03 H new ATOM 0 HG23 THR A 14 -8.357 -0.489 11.751 1.00 21.03 H new ATOM 212 N THR A 15 -4.328 0.921 11.273 1.00 41.23 N ATOM 213 CA THR A 15 -3.979 2.330 11.016 1.00 73.43 C ATOM 214 C THR A 15 -3.648 2.636 9.534 1.00 64.54 C ATOM 215 O THR A 15 -4.118 3.635 8.992 1.00 25.41 O ATOM 216 CB THR A 15 -2.798 2.774 11.932 1.00 22.30 C ATOM 217 OG1 THR A 15 -3.049 2.342 13.280 1.00 2.45 O ATOM 218 CG2 THR A 15 -2.593 4.298 11.930 1.00 74.13 C ATOM 0 H THR A 15 -3.742 0.483 11.984 1.00 41.23 H new ATOM 0 HA THR A 15 -4.873 2.906 11.253 1.00 73.43 H new ATOM 0 HB THR A 15 -1.892 2.314 11.536 1.00 22.30 H new ATOM 0 HG1 THR A 15 -2.306 2.619 13.856 1.00 2.45 H new ATOM 0 HG21 THR A 15 -1.759 4.554 12.583 1.00 74.13 H new ATOM 0 HG22 THR A 15 -2.376 4.635 10.916 1.00 74.13 H new ATOM 0 HG23 THR A 15 -3.498 4.787 12.289 1.00 74.13 H new ATOM 226 N LEU A 16 -2.881 1.757 8.869 1.00 33.23 N ATOM 227 CA LEU A 16 -2.438 2.003 7.473 1.00 53.14 C ATOM 228 C LEU A 16 -3.599 1.767 6.486 1.00 65.12 C ATOM 229 O LEU A 16 -3.570 2.279 5.362 1.00 73.51 O ATOM 230 CB LEU A 16 -1.187 1.155 7.096 1.00 11.13 C ATOM 231 CG LEU A 16 0.140 1.505 7.858 1.00 64.04 C ATOM 232 CD1 LEU A 16 0.085 1.083 9.344 1.00 20.12 C ATOM 233 CD2 LEU A 16 1.378 0.901 7.156 1.00 22.41 C ATOM 0 H LEU A 16 -2.554 0.876 9.264 1.00 33.23 H new ATOM 0 HA LEU A 16 -2.138 3.048 7.403 1.00 53.14 H new ATOM 0 HB2 LEU A 16 -1.418 0.105 7.274 1.00 11.13 H new ATOM 0 HB3 LEU A 16 -1.008 1.265 6.026 1.00 11.13 H new ATOM 0 HG LEU A 16 0.238 2.590 7.831 1.00 64.04 H new ATOM 0 HD11 LEU A 16 1.024 1.345 9.832 1.00 20.12 H new ATOM 0 HD12 LEU A 16 -0.737 1.600 9.839 1.00 20.12 H new ATOM 0 HD13 LEU A 16 -0.071 0.006 9.411 1.00 20.12 H new ATOM 0 HD21 LEU A 16 2.277 1.165 7.713 1.00 22.41 H new ATOM 0 HD22 LEU A 16 1.281 -0.184 7.117 1.00 22.41 H new ATOM 0 HD23 LEU A 16 1.450 1.296 6.142 1.00 22.41 H new ATOM 245 N GLU A 17 -4.625 0.997 6.924 1.00 31.44 N ATOM 246 CA GLU A 17 -5.847 0.786 6.138 1.00 3.42 C ATOM 247 C GLU A 17 -6.689 2.077 6.102 1.00 51.34 C ATOM 248 O GLU A 17 -7.060 2.564 5.026 1.00 11.45 O ATOM 249 CB GLU A 17 -6.713 -0.353 6.729 1.00 44.05 C ATOM 250 CG GLU A 17 -5.985 -1.683 6.975 1.00 72.25 C ATOM 251 CD GLU A 17 -6.977 -2.788 7.373 1.00 70.12 C ATOM 252 OE1 GLU A 17 -7.548 -3.429 6.481 1.00 4.14 O ATOM 253 OE2 GLU A 17 -7.250 -2.988 8.582 1.00 31.15 O ATOM 0 H GLU A 17 -4.622 0.514 7.822 1.00 31.44 H new ATOM 0 HA GLU A 17 -5.539 0.509 5.130 1.00 3.42 H new ATOM 0 HB2 GLU A 17 -7.135 -0.011 7.674 1.00 44.05 H new ATOM 0 HB3 GLU A 17 -7.549 -0.537 6.054 1.00 44.05 H new ATOM 0 HG2 GLU A 17 -5.447 -1.979 6.075 1.00 72.25 H new ATOM 0 HG3 GLU A 17 -5.242 -1.555 7.762 1.00 72.25 H new ATOM 260 N GLU A 18 -6.980 2.631 7.302 1.00 61.43 N ATOM 261 CA GLU A 18 -7.858 3.818 7.449 1.00 63.01 C ATOM 262 C GLU A 18 -7.206 5.067 6.818 1.00 50.33 C ATOM 263 O GLU A 18 -7.895 5.889 6.203 1.00 45.20 O ATOM 264 CB GLU A 18 -8.225 4.062 8.944 1.00 12.41 C ATOM 265 CG GLU A 18 -7.023 4.284 9.879 1.00 25.22 C ATOM 266 CD GLU A 18 -7.408 4.483 11.349 1.00 44.15 C ATOM 267 OE1 GLU A 18 -7.605 3.476 12.061 1.00 71.34 O ATOM 268 OE2 GLU A 18 -7.535 5.646 11.794 1.00 74.24 O ATOM 0 H GLU A 18 -6.618 2.274 8.186 1.00 61.43 H new ATOM 0 HA GLU A 18 -8.785 3.621 6.911 1.00 63.01 H new ATOM 0 HB2 GLU A 18 -8.879 4.932 9.005 1.00 12.41 H new ATOM 0 HB3 GLU A 18 -8.796 3.207 9.307 1.00 12.41 H new ATOM 0 HG2 GLU A 18 -6.352 3.428 9.802 1.00 25.22 H new ATOM 0 HG3 GLU A 18 -6.466 5.157 9.538 1.00 25.22 H new ATOM 275 N LEU A 19 -5.865 5.169 6.947 1.00 64.13 N ATOM 276 CA LEU A 19 -5.076 6.257 6.340 1.00 55.42 C ATOM 277 C LEU A 19 -5.116 6.167 4.804 1.00 14.44 C ATOM 278 O LEU A 19 -5.186 7.196 4.138 1.00 44.42 O ATOM 279 CB LEU A 19 -3.608 6.233 6.856 1.00 71.54 C ATOM 280 CG LEU A 19 -3.412 6.655 8.349 1.00 51.20 C ATOM 281 CD1 LEU A 19 -1.983 6.369 8.844 1.00 52.31 C ATOM 282 CD2 LEU A 19 -3.777 8.141 8.572 1.00 62.42 C ATOM 0 H LEU A 19 -5.303 4.500 7.474 1.00 64.13 H new ATOM 0 HA LEU A 19 -5.523 7.206 6.638 1.00 55.42 H new ATOM 0 HB2 LEU A 19 -3.212 5.226 6.726 1.00 71.54 H new ATOM 0 HB3 LEU A 19 -3.010 6.894 6.228 1.00 71.54 H new ATOM 0 HG LEU A 19 -4.096 6.045 8.939 1.00 51.20 H new ATOM 0 HD11 LEU A 19 -1.890 6.677 9.885 1.00 52.31 H new ATOM 0 HD12 LEU A 19 -1.776 5.302 8.761 1.00 52.31 H new ATOM 0 HD13 LEU A 19 -1.269 6.925 8.236 1.00 52.31 H new ATOM 0 HD21 LEU A 19 -3.629 8.399 9.621 1.00 62.42 H new ATOM 0 HD22 LEU A 19 -3.140 8.770 7.950 1.00 62.42 H new ATOM 0 HD23 LEU A 19 -4.821 8.304 8.303 1.00 62.42 H new ATOM 294 N ALA A 20 -5.112 4.918 4.270 1.00 15.32 N ATOM 295 CA ALA A 20 -5.101 4.636 2.811 1.00 4.42 C ATOM 296 C ALA A 20 -6.272 5.314 2.070 1.00 41.32 C ATOM 297 O ALA A 20 -6.123 5.751 0.922 1.00 12.14 O ATOM 298 CB ALA A 20 -5.124 3.113 2.563 1.00 33.11 C ATOM 0 H ALA A 20 -5.116 4.074 4.843 1.00 15.32 H new ATOM 0 HA ALA A 20 -4.180 5.058 2.409 1.00 4.42 H new ATOM 0 HB1 ALA A 20 -5.116 2.919 1.490 1.00 33.11 H new ATOM 0 HB2 ALA A 20 -4.247 2.656 3.021 1.00 33.11 H new ATOM 0 HB3 ALA A 20 -6.026 2.686 3.002 1.00 33.11 H new ATOM 304 N ARG A 21 -7.436 5.387 2.748 1.00 34.50 N ATOM 305 CA ARG A 21 -8.652 6.029 2.213 1.00 10.55 C ATOM 306 C ARG A 21 -8.449 7.552 2.043 1.00 33.32 C ATOM 307 O ARG A 21 -8.867 8.129 1.031 1.00 64.13 O ATOM 308 CB ARG A 21 -9.870 5.714 3.131 1.00 13.20 C ATOM 309 CG ARG A 21 -11.198 6.402 2.720 1.00 24.32 C ATOM 310 CD ARG A 21 -11.644 6.075 1.279 1.00 70.12 C ATOM 311 NE ARG A 21 -12.821 6.866 0.876 1.00 54.24 N ATOM 312 CZ ARG A 21 -12.791 8.012 0.177 1.00 32.20 C ATOM 313 NH1 ARG A 21 -11.636 8.552 -0.224 1.00 1.50 N ATOM 314 NH2 ARG A 21 -13.922 8.630 -0.117 1.00 44.52 N ATOM 0 H ARG A 21 -7.558 5.001 3.684 1.00 34.50 H new ATOM 0 HA ARG A 21 -8.856 5.620 1.223 1.00 10.55 H new ATOM 0 HB2 ARG A 21 -10.026 4.635 3.144 1.00 13.20 H new ATOM 0 HB3 ARG A 21 -9.624 6.013 4.150 1.00 13.20 H new ATOM 0 HG2 ARG A 21 -11.984 6.099 3.412 1.00 24.32 H new ATOM 0 HG3 ARG A 21 -11.084 7.481 2.820 1.00 24.32 H new ATOM 0 HD2 ARG A 21 -10.822 6.271 0.591 1.00 70.12 H new ATOM 0 HD3 ARG A 21 -11.877 5.013 1.203 1.00 70.12 H new ATOM 0 HE ARG A 21 -13.737 6.512 1.152 1.00 54.24 H new ATOM 0 HH11 ARG A 21 -10.753 8.093 0.000 1.00 1.50 H new ATOM 0 HH12 ARG A 21 -11.637 9.423 -0.754 1.00 1.50 H new ATOM 0 HH21 ARG A 21 -14.812 8.236 0.187 1.00 44.52 H new ATOM 0 HH22 ARG A 21 -13.904 9.501 -0.648 1.00 44.52 H new ATOM 328 N LYS A 22 -7.795 8.177 3.035 1.00 32.24 N ATOM 329 CA LYS A 22 -7.501 9.622 3.033 1.00 33.22 C ATOM 330 C LYS A 22 -6.419 9.969 1.987 1.00 35.40 C ATOM 331 O LYS A 22 -6.467 11.032 1.353 1.00 3.23 O ATOM 332 CB LYS A 22 -7.049 10.058 4.451 1.00 52.51 C ATOM 333 CG LYS A 22 -7.015 11.587 4.691 1.00 73.41 C ATOM 334 CD LYS A 22 -8.422 12.271 4.587 1.00 14.13 C ATOM 335 CE LYS A 22 -8.681 12.999 3.248 1.00 62.01 C ATOM 336 NZ LYS A 22 -7.713 14.106 3.020 1.00 74.11 N ATOM 0 H LYS A 22 -7.453 7.693 3.865 1.00 32.24 H new ATOM 0 HA LYS A 22 -8.407 10.164 2.761 1.00 33.22 H new ATOM 0 HB2 LYS A 22 -7.718 9.606 5.183 1.00 52.51 H new ATOM 0 HB3 LYS A 22 -6.054 9.655 4.638 1.00 52.51 H new ATOM 0 HG2 LYS A 22 -6.598 11.782 5.679 1.00 73.41 H new ATOM 0 HG3 LYS A 22 -6.343 12.045 3.965 1.00 73.41 H new ATOM 0 HD2 LYS A 22 -9.192 11.513 4.729 1.00 14.13 H new ATOM 0 HD3 LYS A 22 -8.525 12.987 5.402 1.00 14.13 H new ATOM 0 HE2 LYS A 22 -8.614 12.284 2.428 1.00 62.01 H new ATOM 0 HE3 LYS A 22 -9.696 13.397 3.242 1.00 62.01 H new ATOM 0 HZ1 LYS A 22 -8.204 15.019 3.103 1.00 74.11 H new ATOM 0 HZ2 LYS A 22 -6.954 14.055 3.730 1.00 74.11 H new ATOM 0 HZ3 LYS A 22 -7.303 14.018 2.068 1.00 74.11 H new ATOM 350 N ILE A 23 -5.449 9.054 1.827 1.00 22.14 N ATOM 351 CA ILE A 23 -4.336 9.192 0.871 1.00 74.41 C ATOM 352 C ILE A 23 -4.853 9.177 -0.583 1.00 44.31 C ATOM 353 O ILE A 23 -4.485 10.038 -1.387 1.00 32.31 O ATOM 354 CB ILE A 23 -3.280 8.044 1.122 1.00 65.24 C ATOM 355 CG1 ILE A 23 -2.660 8.193 2.556 1.00 4.23 C ATOM 356 CG2 ILE A 23 -2.179 8.017 0.034 1.00 44.21 C ATOM 357 CD1 ILE A 23 -1.887 6.991 3.067 1.00 63.34 C ATOM 0 H ILE A 23 -5.414 8.187 2.364 1.00 22.14 H new ATOM 0 HA ILE A 23 -3.847 10.154 1.027 1.00 74.41 H new ATOM 0 HB ILE A 23 -3.800 7.088 1.060 1.00 65.24 H new ATOM 0 HG12 ILE A 23 -1.995 9.056 2.556 1.00 4.23 H new ATOM 0 HG13 ILE A 23 -3.464 8.410 3.259 1.00 4.23 H new ATOM 0 HG21 ILE A 23 -1.476 7.212 0.248 1.00 44.21 H new ATOM 0 HG22 ILE A 23 -2.636 7.850 -0.942 1.00 44.21 H new ATOM 0 HG23 ILE A 23 -1.649 8.970 0.029 1.00 44.21 H new ATOM 0 HD11 ILE A 23 -1.503 7.203 4.065 1.00 63.34 H new ATOM 0 HD12 ILE A 23 -2.547 6.125 3.108 1.00 63.34 H new ATOM 0 HD13 ILE A 23 -1.055 6.781 2.395 1.00 63.34 H new ATOM 369 N LYS A 24 -5.734 8.202 -0.905 1.00 20.23 N ATOM 370 CA LYS A 24 -6.327 8.089 -2.251 1.00 13.11 C ATOM 371 C LYS A 24 -7.356 9.208 -2.516 1.00 42.43 C ATOM 372 O LYS A 24 -7.669 9.505 -3.671 1.00 72.10 O ATOM 373 CB LYS A 24 -6.999 6.710 -2.476 1.00 62.32 C ATOM 374 CG LYS A 24 -8.283 6.422 -1.642 1.00 63.02 C ATOM 375 CD LYS A 24 -9.317 5.574 -2.416 1.00 44.21 C ATOM 376 CE LYS A 24 -8.758 4.219 -2.890 1.00 42.33 C ATOM 377 NZ LYS A 24 -9.684 3.539 -3.809 1.00 71.05 N ATOM 0 H LYS A 24 -6.047 7.485 -0.250 1.00 20.23 H new ATOM 0 HA LYS A 24 -5.501 8.193 -2.955 1.00 13.11 H new ATOM 0 HB2 LYS A 24 -7.251 6.621 -3.533 1.00 62.32 H new ATOM 0 HB3 LYS A 24 -6.267 5.933 -2.256 1.00 62.32 H new ATOM 0 HG2 LYS A 24 -8.007 5.903 -0.724 1.00 63.02 H new ATOM 0 HG3 LYS A 24 -8.740 7.367 -1.348 1.00 63.02 H new ATOM 0 HD2 LYS A 24 -10.184 5.399 -1.779 1.00 44.21 H new ATOM 0 HD3 LYS A 24 -9.666 6.138 -3.281 1.00 44.21 H new ATOM 0 HE2 LYS A 24 -7.801 4.374 -3.387 1.00 42.33 H new ATOM 0 HE3 LYS A 24 -8.569 3.581 -2.026 1.00 42.33 H new ATOM 0 HZ1 LYS A 24 -9.367 2.560 -3.960 1.00 71.05 H new ATOM 0 HZ2 LYS A 24 -10.640 3.534 -3.399 1.00 71.05 H new ATOM 0 HZ3 LYS A 24 -9.701 4.041 -4.719 1.00 71.05 H new ATOM 391 N ASP A 25 -7.884 9.803 -1.423 1.00 31.33 N ATOM 392 CA ASP A 25 -8.894 10.881 -1.478 1.00 40.51 C ATOM 393 C ASP A 25 -8.306 12.176 -2.091 1.00 11.12 C ATOM 394 O ASP A 25 -9.050 13.076 -2.490 1.00 53.15 O ATOM 395 CB ASP A 25 -9.445 11.140 -0.050 1.00 13.04 C ATOM 396 CG ASP A 25 -10.700 12.021 -0.019 1.00 13.40 C ATOM 397 OD1 ASP A 25 -11.786 11.520 -0.389 1.00 73.34 O ATOM 398 OD2 ASP A 25 -10.616 13.209 0.368 1.00 22.42 O ATOM 0 H ASP A 25 -7.619 9.546 -0.472 1.00 31.33 H new ATOM 0 HA ASP A 25 -9.711 10.565 -2.126 1.00 40.51 H new ATOM 0 HB2 ASP A 25 -9.673 10.183 0.420 1.00 13.04 H new ATOM 0 HB3 ASP A 25 -8.667 11.612 0.549 1.00 13.04 H new ATOM 403 N GLU A 26 -6.955 12.238 -2.185 1.00 51.34 N ATOM 404 CA GLU A 26 -6.229 13.347 -2.843 1.00 31.23 C ATOM 405 C GLU A 26 -6.118 13.104 -4.371 1.00 21.12 C ATOM 406 O GLU A 26 -5.441 13.855 -5.079 1.00 24.50 O ATOM 407 CB GLU A 26 -4.812 13.496 -2.215 1.00 62.40 C ATOM 408 CG GLU A 26 -4.770 13.475 -0.673 1.00 42.43 C ATOM 409 CD GLU A 26 -5.699 14.507 -0.011 1.00 72.04 C ATOM 410 OE1 GLU A 26 -5.314 15.695 0.079 1.00 12.25 O ATOM 411 OE2 GLU A 26 -6.818 14.139 0.406 1.00 13.23 O ATOM 0 H GLU A 26 -6.340 11.519 -1.806 1.00 51.34 H new ATOM 0 HA GLU A 26 -6.788 14.270 -2.687 1.00 31.23 H new ATOM 0 HB2 GLU A 26 -4.180 12.692 -2.590 1.00 62.40 H new ATOM 0 HB3 GLU A 26 -4.375 14.433 -2.561 1.00 62.40 H new ATOM 0 HG2 GLU A 26 -5.043 12.479 -0.325 1.00 42.43 H new ATOM 0 HG3 GLU A 26 -3.747 13.658 -0.344 1.00 42.43 H new ATOM 418 N GLY A 27 -6.779 12.036 -4.857 1.00 25.24 N ATOM 419 CA GLY A 27 -6.766 11.657 -6.272 1.00 34.52 C ATOM 420 C GLY A 27 -5.671 10.647 -6.597 1.00 10.13 C ATOM 421 O GLY A 27 -5.486 10.291 -7.764 1.00 21.21 O ATOM 0 H GLY A 27 -7.337 11.414 -4.273 1.00 25.24 H new ATOM 0 HA2 GLY A 27 -7.735 11.236 -6.541 1.00 34.52 H new ATOM 0 HA3 GLY A 27 -6.625 12.549 -6.882 1.00 34.52 H new ATOM 425 N LEU A 28 -4.956 10.169 -5.551 1.00 44.21 N ATOM 426 CA LEU A 28 -3.810 9.255 -5.714 1.00 1.04 C ATOM 427 C LEU A 28 -4.293 7.824 -5.971 1.00 54.24 C ATOM 428 O LEU A 28 -5.313 7.388 -5.415 1.00 33.24 O ATOM 429 CB LEU A 28 -2.885 9.267 -4.466 1.00 21.44 C ATOM 430 CG LEU A 28 -2.421 10.662 -3.932 1.00 64.21 C ATOM 431 CD1 LEU A 28 -1.298 10.500 -2.899 1.00 73.44 C ATOM 432 CD2 LEU A 28 -2.011 11.641 -5.056 1.00 13.12 C ATOM 0 H LEU A 28 -5.158 10.406 -4.580 1.00 44.21 H new ATOM 0 HA LEU A 28 -3.238 9.608 -6.572 1.00 1.04 H new ATOM 0 HB2 LEU A 28 -3.403 8.751 -3.657 1.00 21.44 H new ATOM 0 HB3 LEU A 28 -1.995 8.682 -4.700 1.00 21.44 H new ATOM 0 HG LEU A 28 -3.286 11.112 -3.444 1.00 64.21 H new ATOM 0 HD11 LEU A 28 -0.989 11.482 -2.540 1.00 73.44 H new ATOM 0 HD12 LEU A 28 -1.658 9.904 -2.061 1.00 73.44 H new ATOM 0 HD13 LEU A 28 -0.448 9.999 -3.362 1.00 73.44 H new ATOM 0 HD21 LEU A 28 -1.700 12.589 -4.617 1.00 13.12 H new ATOM 0 HD22 LEU A 28 -1.184 11.216 -5.625 1.00 13.12 H new ATOM 0 HD23 LEU A 28 -2.859 11.809 -5.719 1.00 13.12 H new ATOM 444 N GLU A 29 -3.557 7.108 -6.822 1.00 51.00 N ATOM 445 CA GLU A 29 -3.774 5.681 -7.083 1.00 3.21 C ATOM 446 C GLU A 29 -2.940 4.874 -6.075 1.00 14.21 C ATOM 447 O GLU A 29 -1.717 5.001 -6.038 1.00 54.21 O ATOM 448 CB GLU A 29 -3.386 5.375 -8.542 1.00 3.14 C ATOM 449 CG GLU A 29 -3.551 3.911 -8.990 1.00 35.23 C ATOM 450 CD GLU A 29 -3.314 3.746 -10.498 1.00 43.11 C ATOM 451 OE1 GLU A 29 -2.163 3.897 -10.937 1.00 23.31 O ATOM 452 OE2 GLU A 29 -4.292 3.563 -11.260 1.00 73.54 O ATOM 0 H GLU A 29 -2.784 7.505 -7.356 1.00 51.00 H new ATOM 0 HA GLU A 29 -4.821 5.404 -6.957 1.00 3.21 H new ATOM 0 HB2 GLU A 29 -3.988 6.005 -9.197 1.00 3.14 H new ATOM 0 HB3 GLU A 29 -2.345 5.664 -8.689 1.00 3.14 H new ATOM 0 HG2 GLU A 29 -2.850 3.282 -8.441 1.00 35.23 H new ATOM 0 HG3 GLU A 29 -4.554 3.565 -8.740 1.00 35.23 H new ATOM 459 N VAL A 30 -3.605 4.074 -5.229 1.00 24.33 N ATOM 460 CA VAL A 30 -2.967 3.419 -4.072 1.00 72.24 C ATOM 461 C VAL A 30 -3.012 1.888 -4.216 1.00 1.23 C ATOM 462 O VAL A 30 -4.085 1.294 -4.406 1.00 3.54 O ATOM 463 CB VAL A 30 -3.631 3.872 -2.714 1.00 0.34 C ATOM 464 CG1 VAL A 30 -3.019 3.132 -1.492 1.00 52.45 C ATOM 465 CG2 VAL A 30 -3.513 5.410 -2.526 1.00 53.15 C ATOM 0 H VAL A 30 -4.598 3.862 -5.325 1.00 24.33 H new ATOM 0 HA VAL A 30 -1.923 3.731 -4.051 1.00 72.24 H new ATOM 0 HB VAL A 30 -4.686 3.604 -2.769 1.00 0.34 H new ATOM 0 HG11 VAL A 30 -3.505 3.474 -0.578 1.00 52.45 H new ATOM 0 HG12 VAL A 30 -3.171 2.058 -1.603 1.00 52.45 H new ATOM 0 HG13 VAL A 30 -1.951 3.344 -1.436 1.00 52.45 H new ATOM 0 HG21 VAL A 30 -3.978 5.698 -1.583 1.00 53.15 H new ATOM 0 HG22 VAL A 30 -2.461 5.695 -2.514 1.00 53.15 H new ATOM 0 HG23 VAL A 30 -4.017 5.917 -3.349 1.00 53.15 H new ATOM 475 N TYR A 31 -1.828 1.278 -4.116 1.00 11.53 N ATOM 476 CA TYR A 31 -1.620 -0.171 -4.139 1.00 51.22 C ATOM 477 C TYR A 31 -1.308 -0.609 -2.704 1.00 50.33 C ATOM 478 O TYR A 31 -0.503 0.038 -2.041 1.00 63.05 O ATOM 479 CB TYR A 31 -0.427 -0.533 -5.062 1.00 53.02 C ATOM 480 CG TYR A 31 -0.621 -0.190 -6.547 1.00 60.30 C ATOM 481 CD1 TYR A 31 -0.409 1.105 -7.036 1.00 71.40 C ATOM 482 CD2 TYR A 31 -0.998 -1.175 -7.460 1.00 15.32 C ATOM 483 CE1 TYR A 31 -0.570 1.395 -8.378 1.00 22.41 C ATOM 484 CE2 TYR A 31 -1.151 -0.893 -8.796 1.00 55.42 C ATOM 485 CZ TYR A 31 -0.939 0.389 -9.254 1.00 52.00 C ATOM 486 OH TYR A 31 -1.082 0.662 -10.596 1.00 70.41 O ATOM 0 H TYR A 31 -0.957 1.799 -4.013 1.00 11.53 H new ATOM 0 HA TYR A 31 -2.508 -0.674 -4.521 1.00 51.22 H new ATOM 0 HB2 TYR A 31 0.462 -0.017 -4.699 1.00 53.02 H new ATOM 0 HB3 TYR A 31 -0.232 -1.602 -4.975 1.00 53.02 H new ATOM 0 HD1 TYR A 31 -0.115 1.889 -6.354 1.00 71.40 H new ATOM 0 HD2 TYR A 31 -1.173 -2.181 -7.109 1.00 15.32 H new ATOM 0 HE1 TYR A 31 -0.409 2.400 -8.740 1.00 22.41 H new ATOM 0 HE2 TYR A 31 -1.437 -1.674 -9.485 1.00 55.42 H new ATOM 0 HH TYR A 31 -1.344 -0.155 -11.070 1.00 70.41 H new ATOM 496 N ILE A 32 -1.947 -1.667 -2.210 1.00 72.23 N ATOM 497 CA ILE A 32 -1.698 -2.188 -0.854 1.00 22.23 C ATOM 498 C ILE A 32 -0.960 -3.535 -0.964 1.00 11.02 C ATOM 499 O ILE A 32 -1.426 -4.435 -1.659 1.00 31.42 O ATOM 500 CB ILE A 32 -3.043 -2.387 -0.053 1.00 61.22 C ATOM 501 CG1 ILE A 32 -3.951 -1.113 -0.123 1.00 24.30 C ATOM 502 CG2 ILE A 32 -2.766 -2.791 1.423 1.00 71.33 C ATOM 503 CD1 ILE A 32 -3.424 0.103 0.605 1.00 12.23 C ATOM 0 H ILE A 32 -2.651 -2.191 -2.731 1.00 72.23 H new ATOM 0 HA ILE A 32 -1.091 -1.463 -0.312 1.00 22.23 H new ATOM 0 HB ILE A 32 -3.585 -3.204 -0.530 1.00 61.22 H new ATOM 0 HG12 ILE A 32 -4.100 -0.851 -1.171 1.00 24.30 H new ATOM 0 HG13 ILE A 32 -4.930 -1.363 0.285 1.00 24.30 H new ATOM 0 HG21 ILE A 32 -3.712 -2.921 1.948 1.00 71.33 H new ATOM 0 HG22 ILE A 32 -2.207 -3.727 1.445 1.00 71.33 H new ATOM 0 HG23 ILE A 32 -2.184 -2.009 1.911 1.00 71.33 H new ATOM 0 HD11 ILE A 32 -4.128 0.928 0.493 1.00 12.23 H new ATOM 0 HD12 ILE A 32 -3.303 -0.130 1.663 1.00 12.23 H new ATOM 0 HD13 ILE A 32 -2.460 0.390 0.184 1.00 12.23 H new ATOM 515 N LEU A 33 0.204 -3.660 -0.313 1.00 41.42 N ATOM 516 CA LEU A 33 0.915 -4.935 -0.197 1.00 63.23 C ATOM 517 C LEU A 33 0.567 -5.575 1.131 1.00 74.21 C ATOM 518 O LEU A 33 0.937 -5.068 2.199 1.00 64.54 O ATOM 519 CB LEU A 33 2.441 -4.748 -0.331 1.00 24.13 C ATOM 520 CG LEU A 33 2.902 -4.200 -1.701 1.00 11.20 C ATOM 521 CD1 LEU A 33 4.433 -4.208 -1.818 1.00 63.23 C ATOM 522 CD2 LEU A 33 2.220 -4.961 -2.866 1.00 70.21 C ATOM 0 H LEU A 33 0.676 -2.881 0.146 1.00 41.42 H new ATOM 0 HA LEU A 33 0.601 -5.588 -1.012 1.00 63.23 H new ATOM 0 HB2 LEU A 33 2.781 -4.069 0.451 1.00 24.13 H new ATOM 0 HB3 LEU A 33 2.929 -5.707 -0.155 1.00 24.13 H new ATOM 0 HG LEU A 33 2.585 -3.159 -1.772 1.00 11.20 H new ATOM 0 HD11 LEU A 33 4.725 -3.817 -2.792 1.00 63.23 H new ATOM 0 HD12 LEU A 33 4.861 -3.584 -1.033 1.00 63.23 H new ATOM 0 HD13 LEU A 33 4.801 -5.229 -1.711 1.00 63.23 H new ATOM 0 HD21 LEU A 33 2.563 -4.554 -3.817 1.00 70.21 H new ATOM 0 HD22 LEU A 33 2.478 -6.019 -2.810 1.00 70.21 H new ATOM 0 HD23 LEU A 33 1.139 -4.847 -2.792 1.00 70.21 H new ATOM 534 N LEU A 34 -0.178 -6.675 1.043 1.00 34.20 N ATOM 535 CA LEU A 34 -0.617 -7.439 2.204 1.00 13.31 C ATOM 536 C LEU A 34 0.290 -8.671 2.359 1.00 24.21 C ATOM 537 O LEU A 34 0.497 -9.428 1.396 1.00 63.30 O ATOM 538 CB LEU A 34 -2.127 -7.853 2.068 1.00 51.23 C ATOM 539 CG LEU A 34 -3.061 -7.456 3.257 1.00 52.31 C ATOM 540 CD1 LEU A 34 -2.548 -8.005 4.612 1.00 2.43 C ATOM 541 CD2 LEU A 34 -3.258 -5.932 3.303 1.00 75.54 C ATOM 0 H LEU A 34 -0.496 -7.063 0.155 1.00 34.20 H new ATOM 0 HA LEU A 34 -0.537 -6.821 3.098 1.00 13.31 H new ATOM 0 HB2 LEU A 34 -2.524 -7.406 1.156 1.00 51.23 H new ATOM 0 HB3 LEU A 34 -2.176 -8.934 1.940 1.00 51.23 H new ATOM 0 HG LEU A 34 -4.032 -7.920 3.083 1.00 52.31 H new ATOM 0 HD11 LEU A 34 -3.229 -7.704 5.408 1.00 2.43 H new ATOM 0 HD12 LEU A 34 -2.499 -9.093 4.569 1.00 2.43 H new ATOM 0 HD13 LEU A 34 -1.554 -7.605 4.814 1.00 2.43 H new ATOM 0 HD21 LEU A 34 -3.911 -5.675 4.137 1.00 75.54 H new ATOM 0 HD22 LEU A 34 -2.292 -5.444 3.434 1.00 75.54 H new ATOM 0 HD23 LEU A 34 -3.711 -5.595 2.370 1.00 75.54 H new ATOM 553 N LYS A 35 0.832 -8.845 3.568 1.00 13.15 N ATOM 554 CA LYS A 35 1.484 -10.091 3.990 1.00 60.14 C ATOM 555 C LYS A 35 1.048 -10.412 5.428 1.00 24.20 C ATOM 556 O LYS A 35 0.924 -9.515 6.272 1.00 52.51 O ATOM 557 CB LYS A 35 3.041 -10.056 3.789 1.00 70.21 C ATOM 558 CG LYS A 35 3.773 -8.720 4.095 1.00 4.05 C ATOM 559 CD LYS A 35 3.871 -8.370 5.607 1.00 60.32 C ATOM 560 CE LYS A 35 5.020 -7.397 5.915 1.00 61.55 C ATOM 561 NZ LYS A 35 6.340 -8.032 5.696 1.00 23.43 N ATOM 0 H LYS A 35 0.831 -8.121 4.287 1.00 13.15 H new ATOM 0 HA LYS A 35 1.158 -10.909 3.347 1.00 60.14 H new ATOM 0 HB2 LYS A 35 3.479 -10.831 4.418 1.00 70.21 H new ATOM 0 HB3 LYS A 35 3.253 -10.327 2.755 1.00 70.21 H new ATOM 0 HG2 LYS A 35 4.780 -8.769 3.680 1.00 4.05 H new ATOM 0 HG3 LYS A 35 3.255 -7.911 3.580 1.00 4.05 H new ATOM 0 HD2 LYS A 35 2.929 -7.930 5.936 1.00 60.32 H new ATOM 0 HD3 LYS A 35 4.012 -9.286 6.180 1.00 60.32 H new ATOM 0 HE2 LYS A 35 4.930 -6.514 5.283 1.00 61.55 H new ATOM 0 HE3 LYS A 35 4.945 -7.058 6.948 1.00 61.55 H new ATOM 0 HZ1 LYS A 35 7.035 -7.625 6.354 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 6.264 -9.056 5.862 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 6.649 -7.862 4.718 1.00 23.43 H new ATOM 575 N ASP A 36 0.751 -11.692 5.653 1.00 3.34 N ATOM 576 CA ASP A 36 0.238 -12.228 6.930 1.00 42.21 C ATOM 577 C ASP A 36 1.074 -13.466 7.297 1.00 64.12 C ATOM 578 O ASP A 36 1.893 -13.924 6.487 1.00 60.14 O ATOM 579 CB ASP A 36 -1.268 -12.575 6.751 1.00 32.34 C ATOM 580 CG ASP A 36 -2.017 -12.909 8.046 1.00 2.53 C ATOM 581 OD1 ASP A 36 -2.528 -11.984 8.710 1.00 0.43 O ATOM 582 OD2 ASP A 36 -2.099 -14.094 8.415 1.00 10.13 O ATOM 0 H ASP A 36 0.861 -12.410 4.937 1.00 3.34 H new ATOM 0 HA ASP A 36 0.322 -11.502 7.739 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -1.764 -11.732 6.270 1.00 32.34 H new ATOM 0 HB3 ASP A 36 -1.351 -13.424 6.072 1.00 32.34 H new ATOM 587 N LYS A 37 0.881 -13.997 8.512 1.00 24.42 N ATOM 588 CA LYS A 37 1.629 -15.178 8.988 1.00 31.22 C ATOM 589 C LYS A 37 1.059 -16.479 8.376 1.00 12.42 C ATOM 590 O LYS A 37 1.729 -17.519 8.378 1.00 41.05 O ATOM 591 CB LYS A 37 1.632 -15.217 10.544 1.00 52.51 C ATOM 592 CG LYS A 37 2.024 -13.874 11.225 1.00 14.10 C ATOM 593 CD LYS A 37 3.347 -13.254 10.700 1.00 43.40 C ATOM 594 CE LYS A 37 4.592 -14.060 11.078 1.00 51.31 C ATOM 595 NZ LYS A 37 4.847 -14.013 12.540 1.00 34.40 N ATOM 0 H LYS A 37 0.212 -13.629 9.188 1.00 24.42 H new ATOM 0 HA LYS A 37 2.664 -15.099 8.654 1.00 31.22 H new ATOM 0 HB2 LYS A 37 0.640 -15.508 10.889 1.00 52.51 H new ATOM 0 HB3 LYS A 37 2.324 -15.992 10.874 1.00 52.51 H new ATOM 0 HG2 LYS A 37 1.217 -13.156 11.078 1.00 14.10 H new ATOM 0 HG3 LYS A 37 2.114 -14.037 12.299 1.00 14.10 H new ATOM 0 HD2 LYS A 37 3.294 -13.170 9.615 1.00 43.40 H new ATOM 0 HD3 LYS A 37 3.446 -12.242 11.093 1.00 43.40 H new ATOM 0 HE2 LYS A 37 4.466 -15.096 10.763 1.00 51.31 H new ATOM 0 HE3 LYS A 37 5.457 -13.667 10.544 1.00 51.31 H new ATOM 0 HZ1 LYS A 37 5.759 -14.467 12.748 1.00 34.40 H new ATOM 0 HZ2 LYS A 37 4.873 -13.023 12.856 1.00 34.40 H new ATOM 0 HZ3 LYS A 37 4.087 -14.516 13.041 1.00 34.40 H new ATOM 609 N ASP A 38 -0.184 -16.409 7.848 1.00 72.55 N ATOM 610 CA ASP A 38 -0.820 -17.517 7.113 1.00 61.32 C ATOM 611 C ASP A 38 -1.681 -16.990 5.938 1.00 62.23 C ATOM 612 O ASP A 38 -2.370 -15.967 6.042 1.00 35.02 O ATOM 613 CB ASP A 38 -1.647 -18.421 8.064 1.00 25.44 C ATOM 614 CG ASP A 38 -2.797 -17.696 8.781 1.00 43.31 C ATOM 615 OD1 ASP A 38 -3.916 -17.660 8.231 1.00 71.14 O ATOM 616 OD2 ASP A 38 -2.588 -17.177 9.903 1.00 71.22 O ATOM 0 H ASP A 38 -0.772 -15.579 7.922 1.00 72.55 H new ATOM 0 HA ASP A 38 -0.027 -18.131 6.687 1.00 61.32 H new ATOM 0 HB2 ASP A 38 -2.058 -19.252 7.491 1.00 25.44 H new ATOM 0 HB3 ASP A 38 -0.980 -18.849 8.812 1.00 25.44 H new ATOM 621 N GLU A 39 -1.588 -17.734 4.823 1.00 52.10 N ATOM 622 CA GLU A 39 -2.171 -17.385 3.507 1.00 24.35 C ATOM 623 C GLU A 39 -3.711 -17.260 3.522 1.00 62.54 C ATOM 624 O GLU A 39 -4.266 -16.509 2.714 1.00 52.30 O ATOM 625 CB GLU A 39 -1.738 -18.414 2.409 1.00 51.15 C ATOM 626 CG GLU A 39 -0.222 -18.457 2.085 1.00 15.02 C ATOM 627 CD GLU A 39 0.658 -18.974 3.238 1.00 35.01 C ATOM 628 OE1 GLU A 39 0.644 -20.190 3.517 1.00 24.32 O ATOM 629 OE2 GLU A 39 1.373 -18.165 3.873 1.00 50.15 O ATOM 0 H GLU A 39 -1.090 -18.624 4.807 1.00 52.10 H new ATOM 0 HA GLU A 39 -1.774 -16.398 3.268 1.00 24.35 H new ATOM 0 HB2 GLU A 39 -2.051 -19.409 2.726 1.00 51.15 H new ATOM 0 HB3 GLU A 39 -2.280 -18.187 1.491 1.00 51.15 H new ATOM 0 HG2 GLU A 39 -0.067 -19.091 1.212 1.00 15.02 H new ATOM 0 HG3 GLU A 39 0.108 -17.454 1.813 1.00 15.02 H new ATOM 636 N LYS A 40 -4.400 -17.996 4.412 1.00 55.10 N ATOM 637 CA LYS A 40 -5.878 -18.032 4.420 1.00 4.15 C ATOM 638 C LYS A 40 -6.483 -16.776 5.092 1.00 44.41 C ATOM 639 O LYS A 40 -7.514 -16.260 4.624 1.00 11.21 O ATOM 640 CB LYS A 40 -6.402 -19.340 5.070 1.00 74.11 C ATOM 641 CG LYS A 40 -5.999 -19.569 6.544 1.00 31.43 C ATOM 642 CD LYS A 40 -6.578 -20.879 7.130 1.00 63.44 C ATOM 643 CE LYS A 40 -6.079 -22.141 6.398 1.00 41.51 C ATOM 644 NZ LYS A 40 -6.702 -23.371 6.942 1.00 20.52 N ATOM 0 H LYS A 40 -3.963 -18.571 5.132 1.00 55.10 H new ATOM 0 HA LYS A 40 -6.210 -18.023 3.382 1.00 4.15 H new ATOM 0 HB2 LYS A 40 -7.490 -19.344 5.006 1.00 74.11 H new ATOM 0 HB3 LYS A 40 -6.045 -20.184 4.480 1.00 74.11 H new ATOM 0 HG2 LYS A 40 -4.912 -19.593 6.619 1.00 31.43 H new ATOM 0 HG3 LYS A 40 -6.341 -18.726 7.144 1.00 31.43 H new ATOM 0 HD2 LYS A 40 -6.310 -20.948 8.184 1.00 63.44 H new ATOM 0 HD3 LYS A 40 -7.666 -20.843 7.079 1.00 63.44 H new ATOM 0 HE2 LYS A 40 -6.304 -22.058 5.335 1.00 41.51 H new ATOM 0 HE3 LYS A 40 -4.995 -22.211 6.490 1.00 41.51 H new ATOM 0 HZ1 LYS A 40 -6.343 -24.199 6.426 1.00 20.52 H new ATOM 0 HZ2 LYS A 40 -6.466 -23.463 7.951 1.00 20.52 H new ATOM 0 HZ3 LYS A 40 -7.735 -23.315 6.832 1.00 20.52 H new ATOM 658 N ARG A 41 -5.849 -16.287 6.180 1.00 64.53 N ATOM 659 CA ARG A 41 -6.259 -15.024 6.848 1.00 5.32 C ATOM 660 C ARG A 41 -5.856 -13.834 5.964 1.00 64.24 C ATOM 661 O ARG A 41 -6.551 -12.810 5.906 1.00 51.13 O ATOM 662 CB ARG A 41 -5.605 -14.901 8.253 1.00 33.20 C ATOM 663 CG ARG A 41 -6.059 -13.681 9.091 1.00 2.31 C ATOM 664 CD ARG A 41 -7.556 -13.727 9.453 1.00 42.44 C ATOM 665 NE ARG A 41 -7.953 -12.622 10.343 1.00 70.34 N ATOM 666 CZ ARG A 41 -9.055 -12.597 11.111 1.00 21.20 C ATOM 667 NH1 ARG A 41 -9.910 -13.614 11.119 1.00 43.22 N ATOM 668 NH2 ARG A 41 -9.297 -11.553 11.883 1.00 42.12 N ATOM 0 H ARG A 41 -5.050 -16.746 6.618 1.00 64.53 H new ATOM 0 HA ARG A 41 -7.340 -15.029 6.985 1.00 5.32 H new ATOM 0 HB2 ARG A 41 -5.821 -15.809 8.817 1.00 33.20 H new ATOM 0 HB3 ARG A 41 -4.523 -14.853 8.129 1.00 33.20 H new ATOM 0 HG2 ARG A 41 -5.470 -13.636 10.007 1.00 2.31 H new ATOM 0 HG3 ARG A 41 -5.853 -12.767 8.534 1.00 2.31 H new ATOM 0 HD2 ARG A 41 -8.149 -13.685 8.540 1.00 42.44 H new ATOM 0 HD3 ARG A 41 -7.781 -14.678 9.936 1.00 42.44 H new ATOM 0 HE ARG A 41 -7.340 -11.808 10.379 1.00 70.34 H new ATOM 0 HH11 ARG A 41 -9.735 -14.432 10.535 1.00 43.22 H new ATOM 0 HH12 ARG A 41 -10.741 -13.577 11.709 1.00 43.22 H new ATOM 0 HH21 ARG A 41 -8.647 -10.767 11.896 1.00 42.12 H new ATOM 0 HH22 ARG A 41 -10.133 -11.533 12.466 1.00 42.12 H new ATOM 682 N LEU A 42 -4.705 -14.001 5.288 1.00 31.43 N ATOM 683 CA LEU A 42 -4.177 -13.052 4.299 1.00 64.45 C ATOM 684 C LEU A 42 -5.180 -12.790 3.170 1.00 50.34 C ATOM 685 O LEU A 42 -5.554 -11.640 2.917 1.00 1.11 O ATOM 686 CB LEU A 42 -2.854 -13.609 3.717 1.00 41.33 C ATOM 687 CG LEU A 42 -2.111 -12.706 2.691 1.00 53.23 C ATOM 688 CD1 LEU A 42 -1.947 -11.282 3.221 1.00 22.44 C ATOM 689 CD2 LEU A 42 -0.748 -13.302 2.314 1.00 23.14 C ATOM 0 H LEU A 42 -4.106 -14.816 5.419 1.00 31.43 H new ATOM 0 HA LEU A 42 -3.995 -12.101 4.799 1.00 64.45 H new ATOM 0 HB2 LEU A 42 -2.176 -13.812 4.546 1.00 41.33 H new ATOM 0 HB3 LEU A 42 -3.068 -14.565 3.238 1.00 41.33 H new ATOM 0 HG LEU A 42 -2.724 -12.662 1.791 1.00 53.23 H new ATOM 0 HD11 LEU A 42 -1.424 -10.676 2.481 1.00 22.44 H new ATOM 0 HD12 LEU A 42 -2.929 -10.851 3.415 1.00 22.44 H new ATOM 0 HD13 LEU A 42 -1.371 -11.302 4.146 1.00 22.44 H new ATOM 0 HD21 LEU A 42 -0.252 -12.649 1.596 1.00 23.14 H new ATOM 0 HD22 LEU A 42 -0.131 -13.393 3.208 1.00 23.14 H new ATOM 0 HD23 LEU A 42 -0.892 -14.287 1.870 1.00 23.14 H new ATOM 701 N GLU A 43 -5.626 -13.886 2.529 1.00 40.24 N ATOM 702 CA GLU A 43 -6.505 -13.845 1.347 1.00 35.15 C ATOM 703 C GLU A 43 -7.838 -13.148 1.674 1.00 54.50 C ATOM 704 O GLU A 43 -8.421 -12.491 0.806 1.00 25.24 O ATOM 705 CB GLU A 43 -6.752 -15.281 0.820 1.00 2.42 C ATOM 706 CG GLU A 43 -7.565 -15.359 -0.490 1.00 31.23 C ATOM 707 CD GLU A 43 -7.726 -16.797 -1.004 1.00 63.21 C ATOM 708 OE1 GLU A 43 -6.848 -17.271 -1.756 1.00 40.13 O ATOM 709 OE2 GLU A 43 -8.716 -17.471 -0.630 1.00 54.24 O ATOM 0 H GLU A 43 -5.384 -14.833 2.820 1.00 40.24 H new ATOM 0 HA GLU A 43 -6.010 -13.265 0.568 1.00 35.15 H new ATOM 0 HB2 GLU A 43 -5.789 -15.766 0.663 1.00 2.42 H new ATOM 0 HB3 GLU A 43 -7.274 -15.851 1.589 1.00 2.42 H new ATOM 0 HG2 GLU A 43 -8.551 -14.923 -0.327 1.00 31.23 H new ATOM 0 HG3 GLU A 43 -7.073 -14.757 -1.254 1.00 31.23 H new ATOM 716 N GLU A 44 -8.302 -13.281 2.941 1.00 32.51 N ATOM 717 CA GLU A 44 -9.484 -12.559 3.436 1.00 75.15 C ATOM 718 C GLU A 44 -9.245 -11.046 3.347 1.00 41.12 C ATOM 719 O GLU A 44 -9.883 -10.381 2.535 1.00 11.23 O ATOM 720 CB GLU A 44 -9.816 -12.971 4.902 1.00 64.24 C ATOM 721 CG GLU A 44 -10.411 -14.385 5.054 1.00 51.34 C ATOM 722 CD GLU A 44 -11.800 -14.529 4.387 1.00 21.12 C ATOM 723 OE1 GLU A 44 -12.809 -14.075 4.975 1.00 75.21 O ATOM 724 OE2 GLU A 44 -11.889 -15.086 3.274 1.00 4.33 O ATOM 0 H GLU A 44 -7.867 -13.887 3.637 1.00 32.51 H new ATOM 0 HA GLU A 44 -10.337 -12.823 2.812 1.00 75.15 H new ATOM 0 HB2 GLU A 44 -8.905 -12.909 5.498 1.00 64.24 H new ATOM 0 HB3 GLU A 44 -10.519 -12.249 5.318 1.00 64.24 H new ATOM 0 HG2 GLU A 44 -9.726 -15.111 4.616 1.00 51.34 H new ATOM 0 HG3 GLU A 44 -10.496 -14.626 6.114 1.00 51.34 H new ATOM 731 N LYS A 45 -8.226 -10.564 4.095 1.00 62.42 N ATOM 732 CA LYS A 45 -7.893 -9.124 4.239 1.00 21.20 C ATOM 733 C LYS A 45 -7.670 -8.439 2.871 1.00 63.21 C ATOM 734 O LYS A 45 -8.110 -7.294 2.663 1.00 21.01 O ATOM 735 CB LYS A 45 -6.632 -8.983 5.136 1.00 62.34 C ATOM 736 CG LYS A 45 -6.083 -7.546 5.290 1.00 12.44 C ATOM 737 CD LYS A 45 -7.035 -6.578 6.023 1.00 52.11 C ATOM 738 CE LYS A 45 -7.188 -6.883 7.519 1.00 25.10 C ATOM 739 NZ LYS A 45 -8.072 -5.895 8.185 1.00 3.41 N ATOM 0 H LYS A 45 -7.601 -11.172 4.624 1.00 62.42 H new ATOM 0 HA LYS A 45 -8.739 -8.620 4.707 1.00 21.20 H new ATOM 0 HB2 LYS A 45 -6.867 -9.372 6.127 1.00 62.34 H new ATOM 0 HB3 LYS A 45 -5.843 -9.613 4.725 1.00 62.34 H new ATOM 0 HG2 LYS A 45 -5.138 -7.587 5.831 1.00 12.44 H new ATOM 0 HG3 LYS A 45 -5.867 -7.144 4.300 1.00 12.44 H new ATOM 0 HD2 LYS A 45 -6.666 -5.559 5.904 1.00 52.11 H new ATOM 0 HD3 LYS A 45 -8.016 -6.619 5.550 1.00 52.11 H new ATOM 0 HE2 LYS A 45 -7.598 -7.885 7.648 1.00 25.10 H new ATOM 0 HE3 LYS A 45 -6.208 -6.876 7.996 1.00 25.10 H new ATOM 0 HZ1 LYS A 45 -8.548 -6.344 8.994 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -7.504 -5.091 8.520 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -8.785 -5.556 7.508 1.00 3.41 H new ATOM 753 N ILE A 46 -7.017 -9.174 1.945 1.00 21.20 N ATOM 754 CA ILE A 46 -6.780 -8.718 0.563 1.00 52.44 C ATOM 755 C ILE A 46 -8.116 -8.378 -0.116 1.00 72.42 C ATOM 756 O ILE A 46 -8.342 -7.235 -0.524 1.00 62.14 O ATOM 757 CB ILE A 46 -6.003 -9.808 -0.291 1.00 1.21 C ATOM 758 CG1 ILE A 46 -4.569 -10.043 0.282 1.00 1.45 C ATOM 759 CG2 ILE A 46 -5.941 -9.438 -1.801 1.00 33.53 C ATOM 760 CD1 ILE A 46 -3.753 -11.111 -0.437 1.00 1.41 C ATOM 0 H ILE A 46 -6.640 -10.102 2.138 1.00 21.20 H new ATOM 0 HA ILE A 46 -6.157 -7.825 0.612 1.00 52.44 H new ATOM 0 HB ILE A 46 -6.566 -10.738 -0.212 1.00 1.21 H new ATOM 0 HG12 ILE A 46 -4.021 -9.102 0.244 1.00 1.45 H new ATOM 0 HG13 ILE A 46 -4.655 -10.320 1.333 1.00 1.45 H new ATOM 0 HG21 ILE A 46 -5.400 -10.213 -2.344 1.00 33.53 H new ATOM 0 HG22 ILE A 46 -6.953 -9.356 -2.197 1.00 33.53 H new ATOM 0 HG23 ILE A 46 -5.426 -8.485 -1.921 1.00 33.53 H new ATOM 0 HD11 ILE A 46 -2.774 -11.200 0.034 1.00 1.41 H new ATOM 0 HD12 ILE A 46 -4.272 -12.067 -0.377 1.00 1.41 H new ATOM 0 HD13 ILE A 46 -3.628 -10.831 -1.483 1.00 1.41 H new ATOM 772 N GLN A 47 -9.014 -9.377 -0.151 1.00 34.01 N ATOM 773 CA GLN A 47 -10.301 -9.290 -0.864 1.00 64.33 C ATOM 774 C GLN A 47 -11.258 -8.266 -0.221 1.00 42.45 C ATOM 775 O GLN A 47 -12.092 -7.682 -0.930 1.00 1.13 O ATOM 776 CB GLN A 47 -10.964 -10.692 -0.943 1.00 52.33 C ATOM 777 CG GLN A 47 -10.166 -11.723 -1.770 1.00 14.12 C ATOM 778 CD GLN A 47 -9.988 -11.339 -3.248 1.00 32.12 C ATOM 779 OE1 GLN A 47 -8.963 -11.637 -3.860 1.00 73.20 O ATOM 780 NE2 GLN A 47 -10.996 -10.706 -3.849 1.00 12.01 N ATOM 0 H GLN A 47 -8.867 -10.272 0.316 1.00 34.01 H new ATOM 0 HA GLN A 47 -10.094 -8.936 -1.874 1.00 64.33 H new ATOM 0 HB2 GLN A 47 -11.095 -11.077 0.068 1.00 52.33 H new ATOM 0 HB3 GLN A 47 -11.959 -10.587 -1.376 1.00 52.33 H new ATOM 0 HG2 GLN A 47 -9.182 -11.852 -1.318 1.00 14.12 H new ATOM 0 HG3 GLN A 47 -10.672 -12.687 -1.714 1.00 14.12 H new ATOM 0 HE21 GLN A 47 -11.836 -10.469 -3.322 1.00 12.01 H new ATOM 0 HE22 GLN A 47 -10.927 -10.459 -4.836 1.00 12.01 H new ATOM 789 N LYS A 48 -11.121 -8.043 1.113 1.00 11.31 N ATOM 790 CA LYS A 48 -11.940 -7.045 1.838 1.00 72.43 C ATOM 791 C LYS A 48 -11.582 -5.643 1.339 1.00 75.11 C ATOM 792 O LYS A 48 -12.453 -4.880 0.910 1.00 24.13 O ATOM 793 CB LYS A 48 -11.733 -7.100 3.385 1.00 25.41 C ATOM 794 CG LYS A 48 -11.825 -8.500 4.032 1.00 2.32 C ATOM 795 CD LYS A 48 -13.047 -9.339 3.589 1.00 34.31 C ATOM 796 CE LYS A 48 -13.056 -10.727 4.252 1.00 54.53 C ATOM 797 NZ LYS A 48 -14.145 -11.589 3.744 1.00 43.33 N ATOM 0 H LYS A 48 -10.453 -8.540 1.702 1.00 11.31 H new ATOM 0 HA LYS A 48 -12.986 -7.280 1.639 1.00 72.43 H new ATOM 0 HB2 LYS A 48 -10.755 -6.679 3.616 1.00 25.41 H new ATOM 0 HB3 LYS A 48 -12.476 -6.455 3.854 1.00 25.41 H new ATOM 0 HG2 LYS A 48 -10.916 -9.054 3.796 1.00 2.32 H new ATOM 0 HG3 LYS A 48 -11.855 -8.383 5.115 1.00 2.32 H new ATOM 0 HD2 LYS A 48 -13.964 -8.808 3.844 1.00 34.31 H new ATOM 0 HD3 LYS A 48 -13.036 -9.454 2.505 1.00 34.31 H new ATOM 0 HE2 LYS A 48 -12.098 -11.216 4.077 1.00 54.53 H new ATOM 0 HE3 LYS A 48 -13.162 -10.610 5.331 1.00 54.53 H new ATOM 0 HZ1 LYS A 48 -13.964 -12.575 4.019 1.00 43.33 H new ATOM 0 HZ2 LYS A 48 -15.051 -11.277 4.148 1.00 43.33 H new ATOM 0 HZ3 LYS A 48 -14.186 -11.521 2.707 1.00 43.33 H new ATOM 811 N LEU A 49 -10.268 -5.343 1.367 1.00 72.20 N ATOM 812 CA LEU A 49 -9.731 -4.039 0.950 1.00 74.13 C ATOM 813 C LEU A 49 -9.922 -3.796 -0.565 1.00 45.24 C ATOM 814 O LEU A 49 -10.056 -2.644 -0.986 1.00 73.01 O ATOM 815 CB LEU A 49 -8.236 -3.932 1.337 1.00 11.15 C ATOM 816 CG LEU A 49 -7.902 -3.780 2.853 1.00 33.42 C ATOM 817 CD1 LEU A 49 -6.385 -3.927 3.117 1.00 10.54 C ATOM 818 CD2 LEU A 49 -8.424 -2.432 3.399 1.00 4.33 C ATOM 0 H LEU A 49 -9.553 -5.999 1.680 1.00 72.20 H new ATOM 0 HA LEU A 49 -10.291 -3.264 1.474 1.00 74.13 H new ATOM 0 HB2 LEU A 49 -7.726 -4.821 0.966 1.00 11.15 H new ATOM 0 HB3 LEU A 49 -7.811 -3.078 0.810 1.00 11.15 H new ATOM 0 HG LEU A 49 -8.410 -4.585 3.384 1.00 33.42 H new ATOM 0 HD11 LEU A 49 -6.189 -3.815 4.183 1.00 10.54 H new ATOM 0 HD12 LEU A 49 -6.052 -4.911 2.788 1.00 10.54 H new ATOM 0 HD13 LEU A 49 -5.844 -3.158 2.566 1.00 10.54 H new ATOM 0 HD21 LEU A 49 -8.179 -2.349 4.458 1.00 4.33 H new ATOM 0 HD22 LEU A 49 -7.956 -1.613 2.853 1.00 4.33 H new ATOM 0 HD23 LEU A 49 -9.505 -2.382 3.272 1.00 4.33 H new ATOM 830 N LYS A 50 -9.936 -4.871 -1.388 1.00 3.25 N ATOM 831 CA LYS A 50 -10.166 -4.739 -2.845 1.00 32.44 C ATOM 832 C LYS A 50 -11.638 -4.410 -3.146 1.00 53.45 C ATOM 833 O LYS A 50 -11.927 -3.680 -4.100 1.00 0.31 O ATOM 834 CB LYS A 50 -9.717 -6.004 -3.626 1.00 4.20 C ATOM 835 CG LYS A 50 -8.202 -6.291 -3.546 1.00 74.24 C ATOM 836 CD LYS A 50 -7.704 -7.336 -4.569 1.00 54.51 C ATOM 837 CE LYS A 50 -7.789 -6.830 -6.023 1.00 13.13 C ATOM 838 NZ LYS A 50 -7.134 -7.757 -6.980 1.00 14.33 N ATOM 0 H LYS A 50 -9.792 -5.830 -1.071 1.00 3.25 H new ATOM 0 HA LYS A 50 -9.549 -3.909 -3.188 1.00 32.44 H new ATOM 0 HB2 LYS A 50 -10.260 -6.867 -3.241 1.00 4.20 H new ATOM 0 HB3 LYS A 50 -9.999 -5.891 -4.673 1.00 4.20 H new ATOM 0 HG2 LYS A 50 -7.658 -5.359 -3.700 1.00 74.24 H new ATOM 0 HG3 LYS A 50 -7.961 -6.638 -2.541 1.00 74.24 H new ATOM 0 HD2 LYS A 50 -6.672 -7.600 -4.340 1.00 54.51 H new ATOM 0 HD3 LYS A 50 -8.295 -8.246 -4.470 1.00 54.51 H new ATOM 0 HE2 LYS A 50 -8.835 -6.704 -6.301 1.00 13.13 H new ATOM 0 HE3 LYS A 50 -7.320 -5.849 -6.092 1.00 13.13 H new ATOM 0 HZ1 LYS A 50 -6.312 -7.288 -7.411 1.00 14.33 H new ATOM 0 HZ2 LYS A 50 -6.820 -8.611 -6.476 1.00 14.33 H new ATOM 0 HZ3 LYS A 50 -7.810 -8.022 -7.724 1.00 14.33 H new ATOM 852 N SER A 51 -12.560 -4.974 -2.337 1.00 5.32 N ATOM 853 CA SER A 51 -13.997 -4.626 -2.378 1.00 74.22 C ATOM 854 C SER A 51 -14.210 -3.140 -1.995 1.00 54.40 C ATOM 855 O SER A 51 -15.114 -2.474 -2.512 1.00 55.13 O ATOM 856 CB SER A 51 -14.781 -5.564 -1.427 1.00 31.40 C ATOM 857 OG SER A 51 -16.174 -5.303 -1.461 1.00 10.43 O ATOM 0 H SER A 51 -12.330 -5.681 -1.639 1.00 5.32 H new ATOM 0 HA SER A 51 -14.371 -4.761 -3.393 1.00 74.22 H new ATOM 0 HB2 SER A 51 -14.599 -6.601 -1.708 1.00 31.40 H new ATOM 0 HB3 SER A 51 -14.413 -5.440 -0.409 1.00 31.40 H new ATOM 0 HG SER A 51 -16.636 -5.914 -0.850 1.00 10.43 H new ATOM 863 N GLN A 52 -13.358 -2.645 -1.082 1.00 62.40 N ATOM 864 CA GLN A 52 -13.329 -1.223 -0.674 1.00 31.13 C ATOM 865 C GLN A 52 -12.779 -0.319 -1.808 1.00 31.22 C ATOM 866 O GLN A 52 -13.039 0.884 -1.821 1.00 32.43 O ATOM 867 CB GLN A 52 -12.488 -1.065 0.614 1.00 54.20 C ATOM 868 CG GLN A 52 -13.029 -1.848 1.830 1.00 42.33 C ATOM 869 CD GLN A 52 -12.098 -1.848 3.045 1.00 24.12 C ATOM 870 OE1 GLN A 52 -12.051 -2.818 3.802 1.00 62.14 O ATOM 871 NE2 GLN A 52 -11.372 -0.760 3.267 1.00 1.21 N ATOM 0 H GLN A 52 -12.665 -3.219 -0.602 1.00 62.40 H new ATOM 0 HA GLN A 52 -14.351 -0.902 -0.472 1.00 31.13 H new ATOM 0 HB2 GLN A 52 -11.469 -1.393 0.410 1.00 54.20 H new ATOM 0 HB3 GLN A 52 -12.437 -0.007 0.872 1.00 54.20 H new ATOM 0 HG2 GLN A 52 -13.989 -1.423 2.123 1.00 42.33 H new ATOM 0 HG3 GLN A 52 -13.215 -2.879 1.530 1.00 42.33 H new ATOM 0 HE21 GLN A 52 -11.428 0.031 2.625 1.00 1.21 H new ATOM 0 HE22 GLN A 52 -10.757 -0.714 4.080 1.00 1.21 H new ATOM 880 N GLY A 53 -12.025 -0.915 -2.755 1.00 51.11 N ATOM 881 CA GLY A 53 -11.557 -0.215 -3.965 1.00 43.51 C ATOM 882 C GLY A 53 -10.052 0.015 -4.003 1.00 40.30 C ATOM 883 O GLY A 53 -9.576 0.891 -4.733 1.00 54.32 O ATOM 0 H GLY A 53 -11.726 -1.889 -2.702 1.00 51.11 H new ATOM 0 HA2 GLY A 53 -11.848 -0.793 -4.842 1.00 43.51 H new ATOM 0 HA3 GLY A 53 -12.063 0.748 -4.034 1.00 43.51 H new ATOM 887 N PHE A 54 -9.297 -0.775 -3.225 1.00 73.14 N ATOM 888 CA PHE A 54 -7.819 -0.710 -3.182 1.00 52.22 C ATOM 889 C PHE A 54 -7.230 -1.890 -3.981 1.00 54.32 C ATOM 890 O PHE A 54 -7.737 -3.008 -3.890 1.00 14.31 O ATOM 891 CB PHE A 54 -7.321 -0.753 -1.712 1.00 50.32 C ATOM 892 CG PHE A 54 -7.833 0.399 -0.838 1.00 75.32 C ATOM 893 CD1 PHE A 54 -9.050 0.299 -0.156 1.00 23.34 C ATOM 894 CD2 PHE A 54 -7.108 1.581 -0.715 1.00 15.21 C ATOM 895 CE1 PHE A 54 -9.516 1.338 0.622 1.00 54.21 C ATOM 896 CE2 PHE A 54 -7.576 2.617 0.064 1.00 3.33 C ATOM 897 CZ PHE A 54 -8.782 2.497 0.729 1.00 51.34 C ATOM 0 H PHE A 54 -9.691 -1.481 -2.604 1.00 73.14 H new ATOM 0 HA PHE A 54 -7.488 0.227 -3.629 1.00 52.22 H new ATOM 0 HB2 PHE A 54 -7.629 -1.698 -1.264 1.00 50.32 H new ATOM 0 HB3 PHE A 54 -6.231 -0.739 -1.709 1.00 50.32 H new ATOM 0 HD1 PHE A 54 -9.634 -0.606 -0.240 1.00 23.34 H new ATOM 0 HD2 PHE A 54 -6.168 1.687 -1.236 1.00 15.21 H new ATOM 0 HE1 PHE A 54 -10.455 1.242 1.146 1.00 54.21 H new ATOM 0 HE2 PHE A 54 -6.999 3.525 0.155 1.00 3.33 H new ATOM 0 HZ PHE A 54 -9.148 3.314 1.333 1.00 51.34 H new ATOM 907 N GLU A 55 -6.173 -1.643 -4.780 1.00 55.12 N ATOM 908 CA GLU A 55 -5.478 -2.711 -5.529 1.00 14.03 C ATOM 909 C GLU A 55 -4.490 -3.426 -4.588 1.00 0.40 C ATOM 910 O GLU A 55 -3.334 -3.010 -4.439 1.00 23.43 O ATOM 911 CB GLU A 55 -4.764 -2.145 -6.791 1.00 31.53 C ATOM 912 CG GLU A 55 -3.999 -3.201 -7.638 1.00 52.11 C ATOM 913 CD GLU A 55 -4.883 -4.346 -8.184 1.00 74.04 C ATOM 914 OE1 GLU A 55 -5.042 -5.384 -7.497 1.00 23.52 O ATOM 915 OE2 GLU A 55 -5.388 -4.232 -9.323 1.00 11.10 O ATOM 0 H GLU A 55 -5.781 -0.712 -4.924 1.00 55.12 H new ATOM 0 HA GLU A 55 -6.211 -3.435 -5.886 1.00 14.03 H new ATOM 0 HB2 GLU A 55 -5.507 -1.661 -7.425 1.00 31.53 H new ATOM 0 HB3 GLU A 55 -4.061 -1.373 -6.478 1.00 31.53 H new ATOM 0 HG2 GLU A 55 -3.519 -2.697 -8.477 1.00 52.11 H new ATOM 0 HG3 GLU A 55 -3.205 -3.631 -7.028 1.00 52.11 H new ATOM 922 N VAL A 56 -4.989 -4.468 -3.911 1.00 14.53 N ATOM 923 CA VAL A 56 -4.229 -5.210 -2.895 1.00 41.10 C ATOM 924 C VAL A 56 -3.673 -6.497 -3.503 1.00 31.40 C ATOM 925 O VAL A 56 -4.410 -7.234 -4.172 1.00 43.34 O ATOM 926 CB VAL A 56 -5.113 -5.558 -1.653 1.00 50.43 C ATOM 927 CG1 VAL A 56 -4.262 -6.100 -0.478 1.00 61.02 C ATOM 928 CG2 VAL A 56 -5.959 -4.346 -1.220 1.00 52.41 C ATOM 0 H VAL A 56 -5.935 -4.822 -4.053 1.00 14.53 H new ATOM 0 HA VAL A 56 -3.411 -4.573 -2.559 1.00 41.10 H new ATOM 0 HB VAL A 56 -5.796 -6.354 -1.949 1.00 50.43 H new ATOM 0 HG11 VAL A 56 -4.912 -6.330 0.366 1.00 61.02 H new ATOM 0 HG12 VAL A 56 -3.742 -7.005 -0.793 1.00 61.02 H new ATOM 0 HG13 VAL A 56 -3.533 -5.347 -0.179 1.00 61.02 H new ATOM 0 HG21 VAL A 56 -6.564 -4.615 -0.354 1.00 52.41 H new ATOM 0 HG22 VAL A 56 -5.301 -3.517 -0.959 1.00 52.41 H new ATOM 0 HG23 VAL A 56 -6.612 -4.046 -2.040 1.00 52.41 H new ATOM 938 N ARG A 57 -2.377 -6.761 -3.265 1.00 71.12 N ATOM 939 CA ARG A 57 -1.670 -7.925 -3.826 1.00 11.40 C ATOM 940 C ARG A 57 -0.739 -8.557 -2.776 1.00 75.34 C ATOM 941 O ARG A 57 -0.266 -7.888 -1.841 1.00 30.10 O ATOM 942 CB ARG A 57 -0.905 -7.528 -5.129 1.00 72.02 C ATOM 943 CG ARG A 57 -1.841 -7.060 -6.278 1.00 54.25 C ATOM 944 CD ARG A 57 -1.130 -6.768 -7.596 1.00 44.10 C ATOM 945 NE ARG A 57 -2.081 -6.249 -8.597 1.00 5.30 N ATOM 946 CZ ARG A 57 -2.348 -6.794 -9.794 1.00 3.41 C ATOM 947 NH1 ARG A 57 -1.739 -7.898 -10.197 1.00 25.25 N ATOM 948 NH2 ARG A 57 -3.245 -6.231 -10.576 1.00 23.01 N ATOM 0 H ARG A 57 -1.789 -6.171 -2.676 1.00 71.12 H new ATOM 0 HA ARG A 57 -2.405 -8.682 -4.100 1.00 11.40 H new ATOM 0 HB2 ARG A 57 -0.199 -6.730 -4.898 1.00 72.02 H new ATOM 0 HB3 ARG A 57 -0.320 -8.381 -5.472 1.00 72.02 H new ATOM 0 HG2 ARG A 57 -2.596 -7.827 -6.450 1.00 54.25 H new ATOM 0 HG3 ARG A 57 -2.367 -6.161 -5.957 1.00 54.25 H new ATOM 0 HD2 ARG A 57 -0.334 -6.042 -7.432 1.00 44.10 H new ATOM 0 HD3 ARG A 57 -0.660 -7.677 -7.971 1.00 44.10 H new ATOM 0 HE ARG A 57 -2.584 -5.395 -8.357 1.00 5.30 H new ATOM 0 HH11 ARG A 57 -1.052 -8.351 -9.594 1.00 25.25 H new ATOM 0 HH12 ARG A 57 -1.957 -8.296 -11.111 1.00 25.25 H new ATOM 0 HH21 ARG A 57 -3.731 -5.388 -10.270 1.00 23.01 H new ATOM 0 HH22 ARG A 57 -3.454 -6.638 -11.487 1.00 23.01 H new ATOM 962 N LYS A 58 -0.512 -9.856 -2.965 1.00 71.44 N ATOM 963 CA LYS A 58 0.222 -10.726 -2.042 1.00 31.50 C ATOM 964 C LYS A 58 1.717 -10.715 -2.402 1.00 33.34 C ATOM 965 O LYS A 58 2.078 -10.936 -3.563 1.00 51.10 O ATOM 966 CB LYS A 58 -0.373 -12.155 -2.158 1.00 54.23 C ATOM 967 CG LYS A 58 0.249 -13.217 -1.229 1.00 44.43 C ATOM 968 CD LYS A 58 -0.394 -14.612 -1.434 1.00 42.01 C ATOM 969 CE LYS A 58 0.106 -15.672 -0.432 1.00 74.24 C ATOM 970 NZ LYS A 58 1.573 -15.893 -0.528 1.00 72.11 N ATOM 0 H LYS A 58 -0.845 -10.350 -3.793 1.00 71.44 H new ATOM 0 HA LYS A 58 0.126 -10.376 -1.014 1.00 31.50 H new ATOM 0 HB2 LYS A 58 -1.442 -12.101 -1.953 1.00 54.23 H new ATOM 0 HB3 LYS A 58 -0.263 -12.492 -3.189 1.00 54.23 H new ATOM 0 HG2 LYS A 58 1.321 -13.280 -1.416 1.00 44.43 H new ATOM 0 HG3 LYS A 58 0.125 -12.909 -0.191 1.00 44.43 H new ATOM 0 HD2 LYS A 58 -1.477 -14.521 -1.345 1.00 42.01 H new ATOM 0 HD3 LYS A 58 -0.185 -14.954 -2.448 1.00 42.01 H new ATOM 0 HE2 LYS A 58 -0.146 -15.358 0.581 1.00 74.24 H new ATOM 0 HE3 LYS A 58 -0.413 -16.613 -0.613 1.00 74.24 H new ATOM 0 HZ1 LYS A 58 1.862 -16.613 0.164 1.00 72.11 H new ATOM 0 HZ2 LYS A 58 1.813 -16.218 -1.486 1.00 72.11 H new ATOM 0 HZ3 LYS A 58 2.072 -15.002 -0.329 1.00 72.11 H new ATOM 984 N VAL A 59 2.574 -10.435 -1.413 1.00 2.43 N ATOM 985 CA VAL A 59 4.045 -10.407 -1.580 1.00 71.40 C ATOM 986 C VAL A 59 4.698 -11.516 -0.749 1.00 65.24 C ATOM 987 O VAL A 59 4.148 -11.920 0.282 1.00 43.53 O ATOM 988 CB VAL A 59 4.643 -9.010 -1.175 1.00 23.42 C ATOM 989 CG1 VAL A 59 4.327 -7.947 -2.249 1.00 21.33 C ATOM 990 CG2 VAL A 59 4.112 -8.571 0.221 1.00 62.35 C ATOM 0 H VAL A 59 2.271 -10.219 -0.464 1.00 2.43 H new ATOM 0 HA VAL A 59 4.261 -10.575 -2.635 1.00 71.40 H new ATOM 0 HB VAL A 59 5.727 -9.106 -1.109 1.00 23.42 H new ATOM 0 HG11 VAL A 59 4.750 -6.989 -1.948 1.00 21.33 H new ATOM 0 HG12 VAL A 59 4.761 -8.252 -3.201 1.00 21.33 H new ATOM 0 HG13 VAL A 59 3.247 -7.849 -2.357 1.00 21.33 H new ATOM 0 HG21 VAL A 59 4.537 -7.602 0.484 1.00 62.35 H new ATOM 0 HG22 VAL A 59 3.025 -8.494 0.189 1.00 62.35 H new ATOM 0 HG23 VAL A 59 4.402 -9.309 0.969 1.00 62.35 H new ATOM 1000 N LYS A 60 5.865 -12.007 -1.220 1.00 3.42 N ATOM 1001 CA LYS A 60 6.629 -13.069 -0.534 1.00 53.45 C ATOM 1002 C LYS A 60 7.163 -12.541 0.816 1.00 51.34 C ATOM 1003 O LYS A 60 6.607 -12.842 1.874 1.00 64.22 O ATOM 1004 CB LYS A 60 7.809 -13.573 -1.426 1.00 2.21 C ATOM 1005 CG LYS A 60 7.429 -13.943 -2.879 1.00 24.13 C ATOM 1006 CD LYS A 60 8.675 -14.245 -3.754 1.00 73.31 C ATOM 1007 CE LYS A 60 8.351 -14.352 -5.259 1.00 31.34 C ATOM 1008 NZ LYS A 60 7.482 -15.516 -5.571 1.00 4.33 N ATOM 0 H LYS A 60 6.301 -11.680 -2.082 1.00 3.42 H new ATOM 0 HA LYS A 60 5.963 -13.912 -0.350 1.00 53.45 H new ATOM 0 HB2 LYS A 60 8.577 -12.800 -1.455 1.00 2.21 H new ATOM 0 HB3 LYS A 60 8.254 -14.447 -0.951 1.00 2.21 H new ATOM 0 HG2 LYS A 60 6.774 -14.814 -2.870 1.00 24.13 H new ATOM 0 HG3 LYS A 60 6.865 -13.124 -3.325 1.00 24.13 H new ATOM 0 HD2 LYS A 60 9.415 -13.459 -3.604 1.00 73.31 H new ATOM 0 HD3 LYS A 60 9.128 -15.178 -3.419 1.00 73.31 H new ATOM 0 HE2 LYS A 60 7.859 -13.437 -5.588 1.00 31.34 H new ATOM 0 HE3 LYS A 60 9.280 -14.435 -5.823 1.00 31.34 H new ATOM 0 HZ1 LYS A 60 7.293 -15.544 -6.593 1.00 4.33 H new ATOM 0 HZ2 LYS A 60 7.960 -16.393 -5.283 1.00 4.33 H new ATOM 0 HZ3 LYS A 60 6.583 -15.426 -5.055 1.00 4.33 H new ATOM 1022 N ASP A 61 8.209 -11.696 0.746 1.00 63.24 N ATOM 1023 CA ASP A 61 8.911 -11.145 1.933 1.00 43.04 C ATOM 1024 C ASP A 61 8.928 -9.611 1.848 1.00 42.42 C ATOM 1025 O ASP A 61 8.361 -9.048 0.905 1.00 40.03 O ATOM 1026 CB ASP A 61 10.363 -11.703 2.007 1.00 24.34 C ATOM 1027 CG ASP A 61 10.414 -13.242 1.979 1.00 55.32 C ATOM 1028 OD1 ASP A 61 9.922 -13.875 2.938 1.00 33.43 O ATOM 1029 OD2 ASP A 61 10.907 -13.824 0.984 1.00 4.42 O ATOM 0 H ASP A 61 8.597 -11.371 -0.139 1.00 63.24 H new ATOM 0 HA ASP A 61 8.383 -11.447 2.838 1.00 43.04 H new ATOM 0 HB2 ASP A 61 10.941 -11.310 1.171 1.00 24.34 H new ATOM 0 HB3 ASP A 61 10.839 -11.345 2.920 1.00 24.34 H new ATOM 1034 N ASP A 62 9.564 -8.932 2.832 1.00 63.13 N ATOM 1035 CA ASP A 62 9.885 -7.487 2.731 1.00 62.11 C ATOM 1036 C ASP A 62 10.920 -7.260 1.617 1.00 21.01 C ATOM 1037 O ASP A 62 10.924 -6.215 0.953 1.00 61.11 O ATOM 1038 CB ASP A 62 10.404 -6.938 4.081 1.00 3.44 C ATOM 1039 CG ASP A 62 9.328 -6.959 5.170 1.00 1.31 C ATOM 1040 OD1 ASP A 62 8.517 -6.007 5.245 1.00 41.52 O ATOM 1041 OD2 ASP A 62 9.242 -7.950 5.927 1.00 74.23 O ATOM 0 H ASP A 62 9.866 -9.362 3.706 1.00 63.13 H new ATOM 0 HA ASP A 62 8.973 -6.944 2.482 1.00 62.11 H new ATOM 0 HB2 ASP A 62 11.259 -7.530 4.407 1.00 3.44 H new ATOM 0 HB3 ASP A 62 10.758 -5.916 3.943 1.00 3.44 H new ATOM 1046 N ASP A 63 11.818 -8.253 1.473 1.00 50.44 N ATOM 1047 CA ASP A 63 12.673 -8.439 0.277 1.00 11.14 C ATOM 1048 C ASP A 63 11.852 -8.284 -1.032 1.00 23.04 C ATOM 1049 O ASP A 63 12.236 -7.527 -1.921 1.00 34.51 O ATOM 1050 CB ASP A 63 13.347 -9.837 0.326 1.00 64.31 C ATOM 1051 CG ASP A 63 14.241 -10.126 -0.890 1.00 20.42 C ATOM 1052 OD1 ASP A 63 15.400 -9.650 -0.915 1.00 13.44 O ATOM 1053 OD2 ASP A 63 13.775 -10.794 -1.845 1.00 65.13 O ATOM 0 H ASP A 63 11.975 -8.960 2.192 1.00 50.44 H new ATOM 0 HA ASP A 63 13.442 -7.666 0.282 1.00 11.14 H new ATOM 0 HB2 ASP A 63 13.946 -9.912 1.234 1.00 64.31 H new ATOM 0 HB3 ASP A 63 12.574 -10.603 0.390 1.00 64.31 H new ATOM 1058 N ASP A 64 10.686 -8.966 -1.098 1.00 31.40 N ATOM 1059 CA ASP A 64 9.824 -8.976 -2.308 1.00 31.42 C ATOM 1060 C ASP A 64 8.945 -7.719 -2.359 1.00 53.25 C ATOM 1061 O ASP A 64 8.438 -7.384 -3.409 1.00 62.30 O ATOM 1062 CB ASP A 64 8.940 -10.244 -2.371 1.00 42.43 C ATOM 1063 CG ASP A 64 8.173 -10.405 -3.700 1.00 21.42 C ATOM 1064 OD1 ASP A 64 8.824 -10.631 -4.747 1.00 63.11 O ATOM 1065 OD2 ASP A 64 6.927 -10.326 -3.703 1.00 33.42 O ATOM 0 H ASP A 64 10.317 -9.520 -0.325 1.00 31.40 H new ATOM 0 HA ASP A 64 10.484 -8.983 -3.175 1.00 31.42 H new ATOM 0 HB2 ASP A 64 9.568 -11.121 -2.217 1.00 42.43 H new ATOM 0 HB3 ASP A 64 8.223 -10.217 -1.550 1.00 42.43 H new ATOM 1070 N ILE A 65 8.760 -7.057 -1.200 1.00 15.15 N ATOM 1071 CA ILE A 65 8.073 -5.752 -1.111 1.00 31.43 C ATOM 1072 C ILE A 65 8.870 -4.675 -1.865 1.00 34.24 C ATOM 1073 O ILE A 65 8.342 -4.041 -2.770 1.00 13.53 O ATOM 1074 CB ILE A 65 7.821 -5.324 0.387 1.00 72.13 C ATOM 1075 CG1 ILE A 65 6.691 -6.199 1.022 1.00 53.32 C ATOM 1076 CG2 ILE A 65 7.526 -3.810 0.530 1.00 75.22 C ATOM 1077 CD1 ILE A 65 6.435 -5.971 2.498 1.00 54.13 C ATOM 0 H ILE A 65 9.082 -7.411 -0.299 1.00 15.15 H new ATOM 0 HA ILE A 65 7.096 -5.857 -1.584 1.00 31.43 H new ATOM 0 HB ILE A 65 8.744 -5.504 0.939 1.00 72.13 H new ATOM 0 HG12 ILE A 65 5.765 -6.014 0.478 1.00 53.32 H new ATOM 0 HG13 ILE A 65 6.943 -7.249 0.874 1.00 53.32 H new ATOM 0 HG21 ILE A 65 7.360 -3.569 1.580 1.00 75.22 H new ATOM 0 HG22 ILE A 65 8.374 -3.237 0.156 1.00 75.22 H new ATOM 0 HG23 ILE A 65 6.635 -3.557 -0.045 1.00 75.22 H new ATOM 0 HD11 ILE A 65 5.633 -6.628 2.834 1.00 54.13 H new ATOM 0 HD12 ILE A 65 7.342 -6.187 3.062 1.00 54.13 H new ATOM 0 HD13 ILE A 65 6.145 -4.933 2.661 1.00 54.13 H new ATOM 1089 N ASP A 66 10.156 -4.496 -1.513 1.00 31.04 N ATOM 1090 CA ASP A 66 11.030 -3.501 -2.180 1.00 34.44 C ATOM 1091 C ASP A 66 11.238 -3.877 -3.659 1.00 75.42 C ATOM 1092 O ASP A 66 11.323 -3.012 -4.528 1.00 44.42 O ATOM 1093 CB ASP A 66 12.391 -3.390 -1.447 1.00 53.50 C ATOM 1094 CG ASP A 66 13.333 -2.346 -2.082 1.00 23.13 C ATOM 1095 OD1 ASP A 66 13.087 -1.136 -1.918 1.00 15.03 O ATOM 1096 OD2 ASP A 66 14.296 -2.730 -2.777 1.00 32.45 O ATOM 0 H ASP A 66 10.617 -5.024 -0.772 1.00 31.04 H new ATOM 0 HA ASP A 66 10.541 -2.528 -2.137 1.00 34.44 H new ATOM 0 HB2 ASP A 66 12.215 -3.126 -0.404 1.00 53.50 H new ATOM 0 HB3 ASP A 66 12.881 -4.364 -1.452 1.00 53.50 H new ATOM 1101 N LYS A 67 11.279 -5.192 -3.907 1.00 55.23 N ATOM 1102 CA LYS A 67 11.405 -5.779 -5.249 1.00 24.24 C ATOM 1103 C LYS A 67 10.096 -5.588 -6.056 1.00 34.21 C ATOM 1104 O LYS A 67 10.121 -5.483 -7.288 1.00 31.44 O ATOM 1105 CB LYS A 67 11.793 -7.269 -5.086 1.00 3.53 C ATOM 1106 CG LYS A 67 12.058 -8.060 -6.387 1.00 64.31 C ATOM 1107 CD LYS A 67 12.805 -9.396 -6.117 1.00 10.22 C ATOM 1108 CE LYS A 67 12.098 -10.297 -5.081 1.00 11.31 C ATOM 1109 NZ LYS A 67 12.920 -11.459 -4.684 1.00 65.20 N ATOM 0 H LYS A 67 11.225 -5.892 -3.167 1.00 55.23 H new ATOM 0 HA LYS A 67 12.185 -5.274 -5.819 1.00 24.24 H new ATOM 0 HB2 LYS A 67 12.688 -7.322 -4.466 1.00 3.53 H new ATOM 0 HB3 LYS A 67 10.996 -7.771 -4.538 1.00 3.53 H new ATOM 0 HG2 LYS A 67 11.110 -8.269 -6.883 1.00 64.31 H new ATOM 0 HG3 LYS A 67 12.647 -7.447 -7.070 1.00 64.31 H new ATOM 0 HD2 LYS A 67 12.905 -9.943 -7.054 1.00 10.22 H new ATOM 0 HD3 LYS A 67 13.813 -9.175 -5.767 1.00 10.22 H new ATOM 0 HE2 LYS A 67 11.857 -9.707 -4.196 1.00 11.31 H new ATOM 0 HE3 LYS A 67 11.154 -10.649 -5.496 1.00 11.31 H new ATOM 0 HZ1 LYS A 67 12.343 -12.323 -4.728 1.00 65.20 H new ATOM 0 HZ2 LYS A 67 13.729 -11.549 -5.331 1.00 65.20 H new ATOM 0 HZ3 LYS A 67 13.267 -11.323 -3.713 1.00 65.20 H new ATOM 1123 N TRP A 68 8.960 -5.529 -5.342 1.00 63.21 N ATOM 1124 CA TRP A 68 7.645 -5.240 -5.938 1.00 51.32 C ATOM 1125 C TRP A 68 7.603 -3.786 -6.425 1.00 70.12 C ATOM 1126 O TRP A 68 7.152 -3.517 -7.522 1.00 12.21 O ATOM 1127 CB TRP A 68 6.494 -5.511 -4.933 1.00 74.13 C ATOM 1128 CG TRP A 68 5.136 -5.632 -5.572 1.00 24.55 C ATOM 1129 CD1 TRP A 68 4.587 -6.766 -6.082 1.00 51.02 C ATOM 1130 CD2 TRP A 68 4.161 -4.597 -5.770 1.00 13.14 C ATOM 1131 NE1 TRP A 68 3.338 -6.510 -6.575 1.00 2.12 N ATOM 1132 CE2 TRP A 68 3.053 -5.188 -6.399 1.00 21.12 C ATOM 1133 CE3 TRP A 68 4.117 -3.233 -5.467 1.00 41.45 C ATOM 1134 CZ2 TRP A 68 1.912 -4.466 -6.733 1.00 12.14 C ATOM 1135 CZ3 TRP A 68 2.983 -2.517 -5.798 1.00 20.24 C ATOM 1136 CH2 TRP A 68 1.896 -3.135 -6.430 1.00 45.14 C ATOM 0 H TRP A 68 8.927 -5.681 -4.334 1.00 63.21 H new ATOM 0 HA TRP A 68 7.502 -5.907 -6.788 1.00 51.32 H new ATOM 0 HB2 TRP A 68 6.711 -6.430 -4.388 1.00 74.13 H new ATOM 0 HB3 TRP A 68 6.468 -4.704 -4.200 1.00 74.13 H new ATOM 0 HD1 TRP A 68 5.069 -7.732 -6.096 1.00 51.02 H new ATOM 0 HE1 TRP A 68 2.719 -7.197 -7.005 1.00 2.12 H new ATOM 0 HE3 TRP A 68 4.953 -2.749 -4.984 1.00 41.45 H new ATOM 0 HZ2 TRP A 68 1.070 -4.941 -7.214 1.00 12.14 H new ATOM 0 HZ3 TRP A 68 2.934 -1.463 -5.566 1.00 20.24 H new ATOM 0 HH2 TRP A 68 1.027 -2.546 -6.683 1.00 45.14 H new ATOM 1147 N ILE A 69 8.142 -2.860 -5.615 1.00 72.32 N ATOM 1148 CA ILE A 69 8.192 -1.429 -5.983 1.00 41.21 C ATOM 1149 C ILE A 69 9.248 -1.232 -7.090 1.00 12.35 C ATOM 1150 O ILE A 69 9.071 -0.391 -7.974 1.00 2.14 O ATOM 1151 CB ILE A 69 8.434 -0.472 -4.729 1.00 73.05 C ATOM 1152 CG1 ILE A 69 7.117 -0.297 -3.887 1.00 73.11 C ATOM 1153 CG2 ILE A 69 8.996 0.920 -5.132 1.00 44.34 C ATOM 1154 CD1 ILE A 69 6.687 -1.510 -3.100 1.00 30.44 C ATOM 0 H ILE A 69 8.549 -3.072 -4.704 1.00 72.32 H new ATOM 0 HA ILE A 69 7.216 -1.136 -6.369 1.00 41.21 H new ATOM 0 HB ILE A 69 9.190 -0.962 -4.115 1.00 73.05 H new ATOM 0 HG12 ILE A 69 7.256 0.534 -3.195 1.00 73.11 H new ATOM 0 HG13 ILE A 69 6.308 -0.018 -4.562 1.00 73.11 H new ATOM 0 HG21 ILE A 69 9.140 1.527 -4.238 1.00 44.34 H new ATOM 0 HG22 ILE A 69 9.951 0.793 -5.642 1.00 44.34 H new ATOM 0 HG23 ILE A 69 8.292 1.418 -5.799 1.00 44.34 H new ATOM 0 HD11 ILE A 69 5.770 -1.284 -2.556 1.00 30.44 H new ATOM 0 HD12 ILE A 69 6.509 -2.342 -3.782 1.00 30.44 H new ATOM 0 HD13 ILE A 69 7.471 -1.782 -2.393 1.00 30.44 H new ATOM 1166 N ASP A 70 10.300 -2.082 -7.068 1.00 54.22 N ATOM 1167 CA ASP A 70 11.366 -2.103 -8.093 1.00 22.10 C ATOM 1168 C ASP A 70 10.776 -2.302 -9.502 1.00 23.34 C ATOM 1169 O ASP A 70 11.074 -1.523 -10.419 1.00 65.34 O ATOM 1170 CB ASP A 70 12.391 -3.220 -7.762 1.00 33.14 C ATOM 1171 CG ASP A 70 13.458 -3.454 -8.852 1.00 0.32 C ATOM 1172 OD1 ASP A 70 14.481 -2.740 -8.864 1.00 3.44 O ATOM 1173 OD2 ASP A 70 13.272 -4.346 -9.706 1.00 52.11 O ATOM 0 H ASP A 70 10.433 -2.777 -6.333 1.00 54.22 H new ATOM 0 HA ASP A 70 11.877 -1.140 -8.083 1.00 22.10 H new ATOM 0 HB2 ASP A 70 12.893 -2.969 -6.828 1.00 33.14 H new ATOM 0 HB3 ASP A 70 11.852 -4.152 -7.594 1.00 33.14 H new ATOM 1178 N LYS A 71 9.915 -3.332 -9.653 1.00 54.01 N ATOM 1179 CA LYS A 71 9.280 -3.657 -10.945 1.00 70.32 C ATOM 1180 C LYS A 71 8.231 -2.602 -11.321 1.00 32.20 C ATOM 1181 O LYS A 71 8.105 -2.272 -12.489 1.00 54.32 O ATOM 1182 CB LYS A 71 8.657 -5.088 -10.952 1.00 25.54 C ATOM 1183 CG LYS A 71 7.575 -5.353 -9.884 1.00 61.14 C ATOM 1184 CD LYS A 71 7.003 -6.793 -9.904 1.00 22.44 C ATOM 1185 CE LYS A 71 8.077 -7.887 -9.713 1.00 2.01 C ATOM 1186 NZ LYS A 71 8.843 -7.721 -8.453 1.00 1.13 N ATOM 0 H LYS A 71 9.644 -3.954 -8.891 1.00 54.01 H new ATOM 0 HA LYS A 71 10.067 -3.646 -11.700 1.00 70.32 H new ATOM 0 HB2 LYS A 71 8.223 -5.270 -11.935 1.00 25.54 H new ATOM 0 HB3 LYS A 71 9.459 -5.814 -10.818 1.00 25.54 H new ATOM 0 HG2 LYS A 71 7.997 -5.155 -8.899 1.00 61.14 H new ATOM 0 HG3 LYS A 71 6.757 -4.647 -10.028 1.00 61.14 H new ATOM 0 HD2 LYS A 71 6.255 -6.889 -9.117 1.00 22.44 H new ATOM 0 HD3 LYS A 71 6.492 -6.959 -10.852 1.00 22.44 H new ATOM 0 HE2 LYS A 71 7.598 -8.866 -9.716 1.00 2.01 H new ATOM 0 HE3 LYS A 71 8.765 -7.866 -10.558 1.00 2.01 H new ATOM 0 HZ1 LYS A 71 9.561 -8.470 -8.382 1.00 1.13 H new ATOM 0 HZ2 LYS A 71 9.310 -6.792 -8.451 1.00 1.13 H new ATOM 0 HZ3 LYS A 71 8.195 -7.785 -7.642 1.00 1.13 H new ATOM 1200 N ILE A 72 7.507 -2.046 -10.323 1.00 75.24 N ATOM 1201 CA ILE A 72 6.458 -1.034 -10.565 1.00 1.30 C ATOM 1202 C ILE A 72 7.052 0.253 -11.177 1.00 72.35 C ATOM 1203 O ILE A 72 6.490 0.794 -12.131 1.00 70.43 O ATOM 1204 CB ILE A 72 5.644 -0.718 -9.253 1.00 32.33 C ATOM 1205 CG1 ILE A 72 4.848 -1.974 -8.776 1.00 34.45 C ATOM 1206 CG2 ILE A 72 4.694 0.491 -9.426 1.00 11.21 C ATOM 1207 CD1 ILE A 72 3.768 -2.486 -9.712 1.00 4.34 C ATOM 0 H ILE A 72 7.632 -2.284 -9.339 1.00 75.24 H new ATOM 0 HA ILE A 72 5.760 -1.455 -11.289 1.00 1.30 H new ATOM 0 HB ILE A 72 6.372 -0.450 -8.487 1.00 32.33 H new ATOM 0 HG12 ILE A 72 5.558 -2.782 -8.600 1.00 34.45 H new ATOM 0 HG13 ILE A 72 4.386 -1.741 -7.817 1.00 34.45 H new ATOM 0 HG21 ILE A 72 4.156 0.668 -8.494 1.00 11.21 H new ATOM 0 HG22 ILE A 72 5.275 1.377 -9.683 1.00 11.21 H new ATOM 0 HG23 ILE A 72 3.980 0.282 -10.223 1.00 11.21 H new ATOM 0 HD11 ILE A 72 3.288 -3.359 -9.270 1.00 4.34 H new ATOM 0 HD12 ILE A 72 3.025 -1.705 -9.871 1.00 4.34 H new ATOM 0 HD13 ILE A 72 4.215 -2.762 -10.667 1.00 4.34 H new ATOM 1219 N LYS A 73 8.203 0.706 -10.641 1.00 33.11 N ATOM 1220 CA LYS A 73 8.946 1.879 -11.169 1.00 14.45 C ATOM 1221 C LYS A 73 9.497 1.585 -12.576 1.00 74.40 C ATOM 1222 O LYS A 73 9.590 2.470 -13.424 1.00 72.30 O ATOM 1223 CB LYS A 73 10.129 2.244 -10.234 1.00 33.23 C ATOM 1224 CG LYS A 73 9.736 2.645 -8.795 1.00 61.12 C ATOM 1225 CD LYS A 73 10.965 2.889 -7.883 1.00 73.53 C ATOM 1226 CE LYS A 73 11.889 1.657 -7.792 1.00 2.22 C ATOM 1227 NZ LYS A 73 13.035 1.871 -6.883 1.00 35.01 N ATOM 0 H LYS A 73 8.647 0.273 -9.831 1.00 33.11 H new ATOM 0 HA LYS A 73 8.249 2.716 -11.219 1.00 14.45 H new ATOM 0 HB2 LYS A 73 10.807 1.392 -10.183 1.00 33.23 H new ATOM 0 HB3 LYS A 73 10.685 3.067 -10.683 1.00 33.23 H new ATOM 0 HG2 LYS A 73 9.128 3.549 -8.828 1.00 61.12 H new ATOM 0 HG3 LYS A 73 9.117 1.860 -8.360 1.00 61.12 H new ATOM 0 HD2 LYS A 73 11.533 3.737 -8.264 1.00 73.53 H new ATOM 0 HD3 LYS A 73 10.624 3.157 -6.883 1.00 73.53 H new ATOM 0 HE2 LYS A 73 11.312 0.799 -7.447 1.00 2.22 H new ATOM 0 HE3 LYS A 73 12.260 1.412 -8.787 1.00 2.22 H new ATOM 0 HZ1 LYS A 73 13.623 1.014 -6.858 1.00 35.01 H new ATOM 0 HZ2 LYS A 73 13.604 2.672 -7.224 1.00 35.01 H new ATOM 0 HZ3 LYS A 73 12.685 2.078 -5.926 1.00 35.01 H new ATOM 1241 N LYS A 74 9.870 0.319 -12.788 1.00 21.11 N ATOM 1242 CA LYS A 74 10.500 -0.161 -14.026 1.00 32.22 C ATOM 1243 C LYS A 74 9.470 -0.222 -15.178 1.00 35.53 C ATOM 1244 O LYS A 74 9.794 0.074 -16.336 1.00 3.20 O ATOM 1245 CB LYS A 74 11.107 -1.554 -13.724 1.00 53.31 C ATOM 1246 CG LYS A 74 12.043 -2.154 -14.794 1.00 73.33 C ATOM 1247 CD LYS A 74 12.723 -3.461 -14.297 1.00 51.11 C ATOM 1248 CE LYS A 74 13.515 -3.255 -12.985 1.00 52.22 C ATOM 1249 NZ LYS A 74 14.127 -4.507 -12.484 1.00 75.21 N ATOM 0 H LYS A 74 9.741 -0.416 -12.092 1.00 21.11 H new ATOM 0 HA LYS A 74 11.284 0.522 -14.352 1.00 32.22 H new ATOM 0 HB2 LYS A 74 11.661 -1.487 -12.788 1.00 53.31 H new ATOM 0 HB3 LYS A 74 10.287 -2.253 -13.560 1.00 53.31 H new ATOM 0 HG2 LYS A 74 11.474 -2.362 -15.700 1.00 73.33 H new ATOM 0 HG3 LYS A 74 12.808 -1.424 -15.059 1.00 73.33 H new ATOM 0 HD2 LYS A 74 11.962 -4.226 -14.142 1.00 51.11 H new ATOM 0 HD3 LYS A 74 13.396 -3.833 -15.069 1.00 51.11 H new ATOM 0 HE2 LYS A 74 14.297 -2.514 -13.150 1.00 52.22 H new ATOM 0 HE3 LYS A 74 12.849 -2.851 -12.223 1.00 52.22 H new ATOM 0 HZ1 LYS A 74 13.919 -4.614 -11.471 1.00 75.21 H new ATOM 0 HZ2 LYS A 74 13.736 -5.317 -13.005 1.00 75.21 H new ATOM 0 HZ3 LYS A 74 15.157 -4.470 -12.624 1.00 75.21 H new ATOM 1263 N GLU A 75 8.225 -0.596 -14.825 1.00 35.40 N ATOM 1264 CA GLU A 75 7.086 -0.669 -15.761 1.00 73.24 C ATOM 1265 C GLU A 75 6.496 0.730 -15.991 1.00 62.42 C ATOM 1266 O GLU A 75 6.022 1.052 -17.083 1.00 1.13 O ATOM 1267 CB GLU A 75 5.986 -1.601 -15.190 1.00 34.23 C ATOM 1268 CG GLU A 75 6.432 -3.055 -14.961 1.00 63.52 C ATOM 1269 CD GLU A 75 5.391 -3.889 -14.194 1.00 2.45 C ATOM 1270 OE1 GLU A 75 5.379 -3.849 -12.941 1.00 2.25 O ATOM 1271 OE2 GLU A 75 4.562 -4.572 -14.835 1.00 42.23 O ATOM 0 H GLU A 75 7.979 -0.859 -13.871 1.00 35.40 H new ATOM 0 HA GLU A 75 7.444 -1.069 -16.710 1.00 73.24 H new ATOM 0 HB2 GLU A 75 5.635 -1.189 -14.244 1.00 34.23 H new ATOM 0 HB3 GLU A 75 5.136 -1.599 -15.873 1.00 34.23 H new ATOM 0 HG2 GLU A 75 6.628 -3.525 -15.925 1.00 63.52 H new ATOM 0 HG3 GLU A 75 7.371 -3.058 -14.408 1.00 63.52 H new ATOM 1278 N ARG A 76 6.525 1.557 -14.925 1.00 11.32 N ATOM 1279 CA ARG A 76 5.879 2.888 -14.888 1.00 71.04 C ATOM 1280 C ARG A 76 6.904 3.952 -14.407 1.00 24.10 C ATOM 1281 O ARG A 76 6.808 4.438 -13.274 1.00 13.22 O ATOM 1282 CB ARG A 76 4.649 2.837 -13.929 1.00 24.43 C ATOM 1283 CG ARG A 76 3.678 1.655 -14.168 1.00 64.31 C ATOM 1284 CD ARG A 76 2.838 1.324 -12.921 1.00 13.24 C ATOM 1285 NE ARG A 76 2.082 0.071 -13.073 1.00 54.51 N ATOM 1286 CZ ARG A 76 2.611 -1.155 -12.948 1.00 13.41 C ATOM 1287 NH1 ARG A 76 3.900 -1.313 -12.673 1.00 45.24 N ATOM 1288 NH2 ARG A 76 1.848 -2.215 -13.072 1.00 3.31 N ATOM 0 H ARG A 76 7.002 1.318 -14.056 1.00 11.32 H new ATOM 0 HA ARG A 76 5.537 3.162 -15.886 1.00 71.04 H new ATOM 0 HB2 ARG A 76 5.011 2.788 -12.902 1.00 24.43 H new ATOM 0 HB3 ARG A 76 4.093 3.769 -14.027 1.00 24.43 H new ATOM 0 HG2 ARG A 76 3.013 1.897 -14.997 1.00 64.31 H new ATOM 0 HG3 ARG A 76 4.248 0.774 -14.463 1.00 64.31 H new ATOM 0 HD2 ARG A 76 3.494 1.247 -12.054 1.00 13.24 H new ATOM 0 HD3 ARG A 76 2.145 2.142 -12.725 1.00 13.24 H new ATOM 0 HE ARG A 76 1.087 0.139 -13.288 1.00 54.51 H new ATOM 0 HH11 ARG A 76 4.500 -0.497 -12.554 1.00 45.24 H new ATOM 0 HH12 ARG A 76 4.290 -2.251 -12.580 1.00 45.24 H new ATOM 0 HH21 ARG A 76 0.852 -2.107 -13.264 1.00 3.31 H new ATOM 0 HH22 ARG A 76 2.251 -3.147 -12.977 1.00 3.31 H new ATOM 1302 N PRO A 77 7.925 4.318 -15.249 1.00 41.33 N ATOM 1303 CA PRO A 77 8.951 5.326 -14.869 1.00 55.31 C ATOM 1304 C PRO A 77 8.482 6.777 -15.103 1.00 60.11 C ATOM 1305 O PRO A 77 9.252 7.726 -14.907 1.00 5.55 O ATOM 1306 CB PRO A 77 10.140 4.937 -15.773 1.00 70.32 C ATOM 1307 CG PRO A 77 9.507 4.420 -17.035 1.00 24.33 C ATOM 1308 CD PRO A 77 8.186 3.780 -16.624 1.00 15.21 C ATOM 0 HA PRO A 77 9.190 5.314 -13.806 1.00 55.31 H new ATOM 0 HB2 PRO A 77 10.781 5.795 -15.974 1.00 70.32 H new ATOM 0 HB3 PRO A 77 10.763 4.177 -15.302 1.00 70.32 H new ATOM 0 HG2 PRO A 77 9.342 5.229 -17.746 1.00 24.33 H new ATOM 0 HG3 PRO A 77 10.155 3.693 -17.525 1.00 24.33 H new ATOM 0 HD2 PRO A 77 7.384 4.045 -17.313 1.00 15.21 H new ATOM 0 HD3 PRO A 77 8.256 2.692 -16.619 1.00 15.21 H new ATOM 1316 N GLN A 78 7.213 6.925 -15.513 1.00 61.22 N ATOM 1317 CA GLN A 78 6.579 8.229 -15.768 1.00 14.41 C ATOM 1318 C GLN A 78 5.947 8.816 -14.489 1.00 0.10 C ATOM 1319 O GLN A 78 5.560 9.991 -14.469 1.00 32.10 O ATOM 1320 CB GLN A 78 5.505 8.081 -16.869 1.00 2.23 C ATOM 1321 CG GLN A 78 4.304 7.158 -16.512 1.00 74.24 C ATOM 1322 CD GLN A 78 3.266 7.010 -17.632 1.00 11.11 C ATOM 1323 OE1 GLN A 78 2.075 6.876 -17.368 1.00 64.51 O ATOM 1324 NE2 GLN A 78 3.704 7.004 -18.890 1.00 43.24 N ATOM 0 H GLN A 78 6.591 6.134 -15.679 1.00 61.22 H new ATOM 0 HA GLN A 78 7.354 8.920 -16.101 1.00 14.41 H new ATOM 0 HB2 GLN A 78 5.120 9.071 -17.112 1.00 2.23 H new ATOM 0 HB3 GLN A 78 5.983 7.695 -17.769 1.00 2.23 H new ATOM 0 HG2 GLN A 78 4.685 6.170 -16.253 1.00 74.24 H new ATOM 0 HG3 GLN A 78 3.809 7.552 -15.624 1.00 74.24 H new ATOM 0 HE21 GLN A 78 4.699 7.117 -19.084 1.00 43.24 H new ATOM 0 HE22 GLN A 78 3.044 6.886 -19.659 1.00 43.24 H new ATOM 1333 N LEU A 79 5.837 7.990 -13.434 1.00 44.44 N ATOM 1334 CA LEU A 79 5.204 8.380 -12.162 1.00 4.32 C ATOM 1335 C LEU A 79 6.168 8.166 -10.981 1.00 15.24 C ATOM 1336 O LEU A 79 7.279 7.648 -11.153 1.00 12.43 O ATOM 1337 CB LEU A 79 3.835 7.645 -11.986 1.00 52.44 C ATOM 1338 CG LEU A 79 3.784 6.091 -12.209 1.00 64.32 C ATOM 1339 CD1 LEU A 79 4.501 5.303 -11.093 1.00 52.40 C ATOM 1340 CD2 LEU A 79 2.323 5.611 -12.369 1.00 74.23 C ATOM 0 H LEU A 79 6.185 7.031 -13.439 1.00 44.44 H new ATOM 0 HA LEU A 79 4.984 9.447 -12.182 1.00 4.32 H new ATOM 0 HB2 LEU A 79 3.478 7.847 -10.976 1.00 52.44 H new ATOM 0 HB3 LEU A 79 3.123 8.102 -12.673 1.00 52.44 H new ATOM 0 HG LEU A 79 4.327 5.887 -13.132 1.00 64.32 H new ATOM 0 HD11 LEU A 79 4.433 4.235 -11.300 1.00 52.40 H new ATOM 0 HD12 LEU A 79 5.549 5.599 -11.054 1.00 52.40 H new ATOM 0 HD13 LEU A 79 4.028 5.517 -10.135 1.00 52.40 H new ATOM 0 HD21 LEU A 79 2.309 4.532 -12.523 1.00 74.23 H new ATOM 0 HD22 LEU A 79 1.759 5.857 -11.469 1.00 74.23 H new ATOM 0 HD23 LEU A 79 1.870 6.105 -13.228 1.00 74.23 H new ATOM 1352 N GLU A 80 5.713 8.570 -9.788 1.00 71.42 N ATOM 1353 CA GLU A 80 6.521 8.583 -8.561 1.00 73.31 C ATOM 1354 C GLU A 80 5.857 7.684 -7.499 1.00 23.21 C ATOM 1355 O GLU A 80 4.656 7.819 -7.211 1.00 5.53 O ATOM 1356 CB GLU A 80 6.710 10.055 -8.087 1.00 24.14 C ATOM 1357 CG GLU A 80 5.441 10.931 -8.174 1.00 34.13 C ATOM 1358 CD GLU A 80 5.744 12.436 -8.110 1.00 41.44 C ATOM 1359 OE1 GLU A 80 5.878 12.982 -6.998 1.00 3.31 O ATOM 1360 OE2 GLU A 80 5.869 13.077 -9.179 1.00 11.12 O ATOM 0 H GLU A 80 4.759 8.902 -9.646 1.00 71.42 H new ATOM 0 HA GLU A 80 7.515 8.175 -8.744 1.00 73.31 H new ATOM 0 HB2 GLU A 80 7.059 10.047 -7.054 1.00 24.14 H new ATOM 0 HB3 GLU A 80 7.495 10.517 -8.686 1.00 24.14 H new ATOM 0 HG2 GLU A 80 4.917 10.711 -9.104 1.00 34.13 H new ATOM 0 HG3 GLU A 80 4.767 10.667 -7.359 1.00 34.13 H new ATOM 1367 N VAL A 81 6.662 6.745 -6.958 1.00 42.12 N ATOM 1368 CA VAL A 81 6.211 5.694 -6.025 1.00 44.43 C ATOM 1369 C VAL A 81 6.814 5.947 -4.627 1.00 43.34 C ATOM 1370 O VAL A 81 8.000 6.284 -4.513 1.00 14.40 O ATOM 1371 CB VAL A 81 6.645 4.252 -6.520 1.00 63.13 C ATOM 1372 CG1 VAL A 81 5.994 3.137 -5.658 1.00 11.24 C ATOM 1373 CG2 VAL A 81 6.328 4.043 -8.024 1.00 14.31 C ATOM 0 H VAL A 81 7.660 6.696 -7.162 1.00 42.12 H new ATOM 0 HA VAL A 81 5.123 5.732 -5.982 1.00 44.43 H new ATOM 0 HB VAL A 81 7.726 4.184 -6.397 1.00 63.13 H new ATOM 0 HG11 VAL A 81 6.313 2.161 -6.024 1.00 11.24 H new ATOM 0 HG12 VAL A 81 6.303 3.253 -4.619 1.00 11.24 H new ATOM 0 HG13 VAL A 81 4.909 3.213 -5.724 1.00 11.24 H new ATOM 0 HG21 VAL A 81 6.640 3.043 -8.326 1.00 14.31 H new ATOM 0 HG22 VAL A 81 5.256 4.154 -8.189 1.00 14.31 H new ATOM 0 HG23 VAL A 81 6.865 4.785 -8.615 1.00 14.31 H new ATOM 1383 N ARG A 82 5.988 5.801 -3.584 1.00 2.23 N ATOM 1384 CA ARG A 82 6.432 5.848 -2.175 1.00 34.23 C ATOM 1385 C ARG A 82 6.136 4.501 -1.487 1.00 42.32 C ATOM 1386 O ARG A 82 5.056 3.929 -1.684 1.00 30.53 O ATOM 1387 CB ARG A 82 5.709 7.004 -1.434 1.00 40.54 C ATOM 1388 CG ARG A 82 6.035 7.141 0.078 1.00 65.43 C ATOM 1389 CD ARG A 82 7.483 7.596 0.368 1.00 32.34 C ATOM 1390 NE ARG A 82 7.728 7.817 1.812 1.00 31.15 N ATOM 1391 CZ ARG A 82 7.666 9.011 2.446 1.00 24.11 C ATOM 1392 NH1 ARG A 82 7.371 10.125 1.781 1.00 1.12 N ATOM 1393 NH2 ARG A 82 7.911 9.091 3.746 1.00 10.33 N ATOM 0 H ARG A 82 4.985 5.646 -3.689 1.00 2.23 H new ATOM 0 HA ARG A 82 7.506 6.028 -2.142 1.00 34.23 H new ATOM 0 HB2 ARG A 82 5.962 7.942 -1.928 1.00 40.54 H new ATOM 0 HB3 ARG A 82 4.633 6.865 -1.544 1.00 40.54 H new ATOM 0 HG2 ARG A 82 5.344 7.855 0.525 1.00 65.43 H new ATOM 0 HG3 ARG A 82 5.862 6.182 0.565 1.00 65.43 H new ATOM 0 HD2 ARG A 82 8.179 6.844 -0.005 1.00 32.34 H new ATOM 0 HD3 ARG A 82 7.687 8.517 -0.177 1.00 32.34 H new ATOM 0 HE ARG A 82 7.963 7.000 2.376 1.00 31.15 H new ATOM 0 HH11 ARG A 82 7.188 10.087 0.778 1.00 1.12 H new ATOM 0 HH12 ARG A 82 7.328 11.017 2.274 1.00 1.12 H new ATOM 0 HH21 ARG A 82 8.148 8.250 4.273 1.00 10.33 H new ATOM 0 HH22 ARG A 82 7.863 9.993 4.219 1.00 10.33 H new ATOM 1407 N LYS A 83 7.108 4.001 -0.688 1.00 61.22 N ATOM 1408 CA LYS A 83 6.905 2.818 0.171 1.00 50.21 C ATOM 1409 C LYS A 83 6.453 3.284 1.560 1.00 2.42 C ATOM 1410 O LYS A 83 7.181 4.018 2.245 1.00 40.11 O ATOM 1411 CB LYS A 83 8.187 1.947 0.316 1.00 12.32 C ATOM 1412 CG LYS A 83 8.712 1.324 -1.001 1.00 10.01 C ATOM 1413 CD LYS A 83 9.505 0.006 -0.777 1.00 53.10 C ATOM 1414 CE LYS A 83 10.724 0.156 0.152 1.00 24.44 C ATOM 1415 NZ LYS A 83 11.780 1.002 -0.460 1.00 72.55 N ATOM 0 H LYS A 83 8.043 4.403 -0.623 1.00 61.22 H new ATOM 0 HA LYS A 83 6.146 2.196 -0.304 1.00 50.21 H new ATOM 0 HB2 LYS A 83 8.977 2.561 0.749 1.00 12.32 H new ATOM 0 HB3 LYS A 83 7.983 1.143 1.024 1.00 12.32 H new ATOM 0 HG2 LYS A 83 7.870 1.126 -1.664 1.00 10.01 H new ATOM 0 HG3 LYS A 83 9.353 2.046 -1.507 1.00 10.01 H new ATOM 0 HD2 LYS A 83 8.833 -0.743 -0.359 1.00 53.10 H new ATOM 0 HD3 LYS A 83 9.842 -0.371 -1.743 1.00 53.10 H new ATOM 0 HE2 LYS A 83 10.409 0.595 1.098 1.00 24.44 H new ATOM 0 HE3 LYS A 83 11.132 -0.829 0.378 1.00 24.44 H new ATOM 0 HZ1 LYS A 83 12.372 1.415 0.289 1.00 72.55 H new ATOM 0 HZ2 LYS A 83 12.371 0.420 -1.087 1.00 72.55 H new ATOM 0 HZ3 LYS A 83 11.338 1.765 -1.011 1.00 72.55 H new ATOM 1429 N VAL A 84 5.237 2.897 1.942 1.00 42.02 N ATOM 1430 CA VAL A 84 4.677 3.156 3.269 1.00 52.44 C ATOM 1431 C VAL A 84 4.684 1.849 4.071 1.00 32.33 C ATOM 1432 O VAL A 84 3.748 1.066 4.004 1.00 14.11 O ATOM 1433 CB VAL A 84 3.220 3.743 3.138 1.00 72.01 C ATOM 1434 CG1 VAL A 84 2.500 3.836 4.507 1.00 22.43 C ATOM 1435 CG2 VAL A 84 3.255 5.125 2.436 1.00 43.11 C ATOM 0 H VAL A 84 4.602 2.386 1.329 1.00 42.02 H new ATOM 0 HA VAL A 84 5.281 3.895 3.794 1.00 52.44 H new ATOM 0 HB VAL A 84 2.644 3.051 2.524 1.00 72.01 H new ATOM 0 HG11 VAL A 84 1.500 4.246 4.365 1.00 22.43 H new ATOM 0 HG12 VAL A 84 2.425 2.842 4.947 1.00 22.43 H new ATOM 0 HG13 VAL A 84 3.067 4.486 5.173 1.00 22.43 H new ATOM 0 HG21 VAL A 84 2.241 5.517 2.353 1.00 43.11 H new ATOM 0 HG22 VAL A 84 3.864 5.815 3.020 1.00 43.11 H new ATOM 0 HG23 VAL A 84 3.684 5.016 1.440 1.00 43.11 H new ATOM 1445 N THR A 85 5.770 1.606 4.807 1.00 61.15 N ATOM 1446 CA THR A 85 5.910 0.401 5.657 1.00 52.34 C ATOM 1447 C THR A 85 5.434 0.686 7.093 1.00 61.32 C ATOM 1448 O THR A 85 5.099 -0.232 7.845 1.00 41.31 O ATOM 1449 CB THR A 85 7.394 -0.086 5.655 1.00 72.23 C ATOM 1450 OG1 THR A 85 8.254 1.008 6.030 1.00 75.42 O ATOM 1451 CG2 THR A 85 7.820 -0.626 4.271 1.00 50.14 C ATOM 0 H THR A 85 6.577 2.228 4.838 1.00 61.15 H new ATOM 0 HA THR A 85 5.282 -0.389 5.246 1.00 52.34 H new ATOM 0 HB THR A 85 7.482 -0.902 6.372 1.00 72.23 H new ATOM 0 HG1 THR A 85 8.057 1.278 6.951 1.00 75.42 H new ATOM 0 HG21 THR A 85 8.859 -0.954 4.312 1.00 50.14 H new ATOM 0 HG22 THR A 85 7.184 -1.468 3.997 1.00 50.14 H new ATOM 0 HG23 THR A 85 7.718 0.163 3.526 1.00 50.14 H new ATOM 1459 N ASP A 86 5.403 1.978 7.446 1.00 45.31 N ATOM 1460 CA ASP A 86 4.982 2.473 8.771 1.00 31.24 C ATOM 1461 C ASP A 86 3.741 3.345 8.604 1.00 44.11 C ATOM 1462 O ASP A 86 3.550 3.957 7.546 1.00 34.03 O ATOM 1463 CB ASP A 86 6.117 3.319 9.425 1.00 54.50 C ATOM 1464 CG ASP A 86 7.416 2.527 9.607 1.00 22.41 C ATOM 1465 OD1 ASP A 86 8.243 2.480 8.662 1.00 62.41 O ATOM 1466 OD2 ASP A 86 7.605 1.917 10.682 1.00 75.34 O ATOM 0 H ASP A 86 5.675 2.726 6.808 1.00 45.31 H new ATOM 0 HA ASP A 86 4.763 1.621 9.414 1.00 31.24 H new ATOM 0 HB2 ASP A 86 6.314 4.195 8.807 1.00 54.50 H new ATOM 0 HB3 ASP A 86 5.780 3.683 10.395 1.00 54.50 H new ATOM 1471 N GLU A 87 2.896 3.398 9.651 1.00 30.43 N ATOM 1472 CA GLU A 87 1.814 4.403 9.761 1.00 52.42 C ATOM 1473 C GLU A 87 2.411 5.815 9.769 1.00 60.20 C ATOM 1474 O GLU A 87 1.783 6.752 9.283 1.00 44.30 O ATOM 1475 CB GLU A 87 0.934 4.197 11.031 1.00 1.11 C ATOM 1476 CG GLU A 87 1.613 4.456 12.402 1.00 13.15 C ATOM 1477 CD GLU A 87 2.749 3.458 12.705 1.00 64.42 C ATOM 1478 OE1 GLU A 87 2.454 2.333 13.141 1.00 73.20 O ATOM 1479 OE2 GLU A 87 3.937 3.780 12.471 1.00 72.25 O ATOM 0 H GLU A 87 2.940 2.753 10.440 1.00 30.43 H new ATOM 0 HA GLU A 87 1.167 4.275 8.893 1.00 52.42 H new ATOM 0 HB2 GLU A 87 0.066 4.852 10.953 1.00 1.11 H new ATOM 0 HB3 GLU A 87 0.562 3.172 11.024 1.00 1.11 H new ATOM 0 HG2 GLU A 87 2.013 5.470 12.418 1.00 13.15 H new ATOM 0 HG3 GLU A 87 0.863 4.396 13.191 1.00 13.15 H new ATOM 1486 N ASP A 88 3.634 5.931 10.348 1.00 51.35 N ATOM 1487 CA ASP A 88 4.472 7.140 10.307 1.00 31.13 C ATOM 1488 C ASP A 88 4.589 7.648 8.864 1.00 60.15 C ATOM 1489 O ASP A 88 4.306 8.810 8.598 1.00 24.35 O ATOM 1490 CB ASP A 88 5.881 6.823 10.879 1.00 10.11 C ATOM 1491 CG ASP A 88 6.884 8.002 10.788 1.00 40.32 C ATOM 1492 OD1 ASP A 88 7.592 8.125 9.757 1.00 41.03 O ATOM 1493 OD2 ASP A 88 6.975 8.802 11.744 1.00 74.20 O ATOM 0 H ASP A 88 4.067 5.166 10.865 1.00 51.35 H new ATOM 0 HA ASP A 88 4.009 7.917 10.916 1.00 31.13 H new ATOM 0 HB2 ASP A 88 5.779 6.527 11.923 1.00 10.11 H new ATOM 0 HB3 ASP A 88 6.294 5.967 10.344 1.00 10.11 H new ATOM 1498 N GLN A 89 4.958 6.726 7.949 1.00 73.35 N ATOM 1499 CA GLN A 89 5.101 7.006 6.507 1.00 1.43 C ATOM 1500 C GLN A 89 3.776 7.505 5.900 1.00 0.33 C ATOM 1501 O GLN A 89 3.774 8.463 5.131 1.00 31.35 O ATOM 1502 CB GLN A 89 5.580 5.732 5.759 1.00 61.03 C ATOM 1503 CG GLN A 89 7.017 5.285 6.072 1.00 43.25 C ATOM 1504 CD GLN A 89 8.065 6.257 5.525 1.00 12.10 C ATOM 1505 OE1 GLN A 89 8.488 7.196 6.200 1.00 50.11 O ATOM 1506 NE2 GLN A 89 8.452 6.063 4.273 1.00 61.55 N ATOM 0 H GLN A 89 5.167 5.758 8.194 1.00 73.35 H new ATOM 0 HA GLN A 89 5.846 7.794 6.391 1.00 1.43 H new ATOM 0 HB2 GLN A 89 4.902 4.913 6.000 1.00 61.03 H new ATOM 0 HB3 GLN A 89 5.498 5.908 4.687 1.00 61.03 H new ATOM 0 HG2 GLN A 89 7.139 5.194 7.151 1.00 43.25 H new ATOM 0 HG3 GLN A 89 7.187 4.296 5.647 1.00 43.25 H new ATOM 0 HE21 GLN A 89 8.082 5.275 3.741 1.00 61.55 H new ATOM 0 HE22 GLN A 89 9.120 6.702 3.841 1.00 61.55 H new ATOM 1515 N ALA A 90 2.660 6.852 6.280 1.00 54.13 N ATOM 1516 CA ALA A 90 1.310 7.190 5.777 1.00 21.13 C ATOM 1517 C ALA A 90 0.847 8.580 6.261 1.00 22.15 C ATOM 1518 O ALA A 90 0.120 9.278 5.550 1.00 65.53 O ATOM 1519 CB ALA A 90 0.304 6.107 6.192 1.00 43.23 C ATOM 0 H ALA A 90 2.667 6.077 6.943 1.00 54.13 H new ATOM 0 HA ALA A 90 1.361 7.229 4.689 1.00 21.13 H new ATOM 0 HB1 ALA A 90 -0.686 6.367 5.816 1.00 43.23 H new ATOM 0 HB2 ALA A 90 0.610 5.147 5.776 1.00 43.23 H new ATOM 0 HB3 ALA A 90 0.272 6.037 7.279 1.00 43.23 H new ATOM 1525 N LYS A 91 1.275 8.966 7.473 1.00 64.54 N ATOM 1526 CA LYS A 91 0.962 10.283 8.069 1.00 5.22 C ATOM 1527 C LYS A 91 1.869 11.381 7.478 1.00 21.12 C ATOM 1528 O LYS A 91 1.427 12.519 7.270 1.00 71.52 O ATOM 1529 CB LYS A 91 1.116 10.210 9.608 1.00 0.45 C ATOM 1530 CG LYS A 91 0.124 9.237 10.286 1.00 24.13 C ATOM 1531 CD LYS A 91 0.450 8.985 11.773 1.00 44.25 C ATOM 1532 CE LYS A 91 0.367 10.259 12.632 1.00 24.11 C ATOM 1533 NZ LYS A 91 0.722 9.988 14.046 1.00 41.14 N ATOM 0 H LYS A 91 1.850 8.375 8.073 1.00 64.54 H new ATOM 0 HA LYS A 91 -0.070 10.542 7.831 1.00 5.22 H new ATOM 0 HB2 LYS A 91 2.134 9.903 9.848 1.00 0.45 H new ATOM 0 HB3 LYS A 91 0.977 11.207 10.026 1.00 0.45 H new ATOM 0 HG2 LYS A 91 -0.885 9.640 10.204 1.00 24.13 H new ATOM 0 HG3 LYS A 91 0.132 8.287 9.752 1.00 24.13 H new ATOM 0 HD2 LYS A 91 -0.241 8.241 12.169 1.00 44.25 H new ATOM 0 HD3 LYS A 91 1.452 8.564 11.853 1.00 44.25 H new ATOM 0 HE2 LYS A 91 1.038 11.016 12.227 1.00 24.11 H new ATOM 0 HE3 LYS A 91 -0.642 10.667 12.582 1.00 24.11 H new ATOM 0 HZ1 LYS A 91 0.655 10.868 14.596 1.00 41.14 H new ATOM 0 HZ2 LYS A 91 0.066 9.284 14.440 1.00 41.14 H new ATOM 0 HZ3 LYS A 91 1.694 9.622 14.096 1.00 41.14 H new ATOM 1547 N GLN A 92 3.131 11.008 7.189 1.00 73.11 N ATOM 1548 CA GLN A 92 4.147 11.927 6.645 1.00 33.14 C ATOM 1549 C GLN A 92 3.817 12.332 5.211 1.00 53.24 C ATOM 1550 O GLN A 92 3.911 13.511 4.876 1.00 21.33 O ATOM 1551 CB GLN A 92 5.575 11.315 6.721 1.00 40.51 C ATOM 1552 CG GLN A 92 6.206 11.311 8.137 1.00 12.31 C ATOM 1553 CD GLN A 92 6.357 12.721 8.715 1.00 4.12 C ATOM 1554 OE1 GLN A 92 7.368 13.390 8.504 1.00 60.01 O ATOM 1555 NE2 GLN A 92 5.354 13.187 9.445 1.00 13.41 N ATOM 0 H GLN A 92 3.474 10.058 7.327 1.00 73.11 H new ATOM 0 HA GLN A 92 4.132 12.822 7.266 1.00 33.14 H new ATOM 0 HB2 GLN A 92 5.536 10.290 6.353 1.00 40.51 H new ATOM 0 HB3 GLN A 92 6.229 11.870 6.049 1.00 40.51 H new ATOM 0 HG2 GLN A 92 5.587 10.712 8.805 1.00 12.31 H new ATOM 0 HG3 GLN A 92 7.184 10.833 8.094 1.00 12.31 H new ATOM 0 HE21 GLN A 92 4.528 12.610 9.604 1.00 13.41 H new ATOM 0 HE22 GLN A 92 5.408 14.122 9.848 1.00 13.41 H new ATOM 1564 N ILE A 93 3.434 11.343 4.378 1.00 24.21 N ATOM 1565 CA ILE A 93 3.086 11.587 2.965 1.00 43.43 C ATOM 1566 C ILE A 93 1.884 12.520 2.823 1.00 42.11 C ATOM 1567 O ILE A 93 1.847 13.299 1.887 1.00 2.13 O ATOM 1568 CB ILE A 93 2.839 10.285 2.131 1.00 74.12 C ATOM 1569 CG1 ILE A 93 1.614 9.480 2.659 1.00 51.24 C ATOM 1570 CG2 ILE A 93 4.108 9.420 2.095 1.00 1.42 C ATOM 1571 CD1 ILE A 93 1.273 8.251 1.851 1.00 11.43 C ATOM 0 H ILE A 93 3.358 10.366 4.661 1.00 24.21 H new ATOM 0 HA ILE A 93 3.971 12.070 2.550 1.00 43.43 H new ATOM 0 HB ILE A 93 2.601 10.584 1.110 1.00 74.12 H new ATOM 0 HG12 ILE A 93 1.810 9.179 3.688 1.00 51.24 H new ATOM 0 HG13 ILE A 93 0.745 10.138 2.679 1.00 51.24 H new ATOM 0 HG21 ILE A 93 3.918 8.519 1.511 1.00 1.42 H new ATOM 0 HG22 ILE A 93 4.920 9.985 1.637 1.00 1.42 H new ATOM 0 HG23 ILE A 93 4.387 9.141 3.111 1.00 1.42 H new ATOM 0 HD11 ILE A 93 0.409 7.754 2.291 1.00 11.43 H new ATOM 0 HD12 ILE A 93 1.041 8.542 0.826 1.00 11.43 H new ATOM 0 HD13 ILE A 93 2.123 7.568 1.851 1.00 11.43 H new ATOM 1583 N LEU A 94 0.917 12.454 3.760 1.00 71.44 N ATOM 1584 CA LEU A 94 -0.217 13.405 3.794 1.00 72.21 C ATOM 1585 C LEU A 94 0.302 14.865 3.827 1.00 3.12 C ATOM 1586 O LEU A 94 -0.220 15.738 3.120 1.00 14.25 O ATOM 1587 CB LEU A 94 -1.128 13.111 5.010 1.00 40.21 C ATOM 1588 CG LEU A 94 -1.879 11.742 4.993 1.00 41.03 C ATOM 1589 CD1 LEU A 94 -2.664 11.514 6.304 1.00 33.32 C ATOM 1590 CD2 LEU A 94 -2.797 11.624 3.753 1.00 35.41 C ATOM 0 H LEU A 94 0.897 11.755 4.502 1.00 71.44 H new ATOM 0 HA LEU A 94 -0.809 13.278 2.888 1.00 72.21 H new ATOM 0 HB2 LEU A 94 -0.519 13.157 5.913 1.00 40.21 H new ATOM 0 HB3 LEU A 94 -1.869 13.907 5.084 1.00 40.21 H new ATOM 0 HG LEU A 94 -1.130 10.954 4.923 1.00 41.03 H new ATOM 0 HD11 LEU A 94 -3.175 10.552 6.259 1.00 33.32 H new ATOM 0 HD12 LEU A 94 -1.973 11.519 7.147 1.00 33.32 H new ATOM 0 HD13 LEU A 94 -3.398 12.310 6.432 1.00 33.32 H new ATOM 0 HD21 LEU A 94 -3.307 10.661 3.768 1.00 35.41 H new ATOM 0 HD22 LEU A 94 -3.535 12.426 3.769 1.00 35.41 H new ATOM 0 HD23 LEU A 94 -2.196 11.702 2.847 1.00 35.41 H new ATOM 1602 N GLU A 95 1.371 15.091 4.602 1.00 62.31 N ATOM 1603 CA GLU A 95 2.057 16.393 4.685 1.00 62.34 C ATOM 1604 C GLU A 95 2.944 16.635 3.440 1.00 14.43 C ATOM 1605 O GLU A 95 3.055 17.769 2.976 1.00 25.11 O ATOM 1606 CB GLU A 95 2.921 16.431 5.961 1.00 75.04 C ATOM 1607 CG GLU A 95 2.126 16.264 7.267 1.00 51.11 C ATOM 1608 CD GLU A 95 3.033 16.149 8.502 1.00 24.20 C ATOM 1609 OE1 GLU A 95 3.681 17.156 8.872 1.00 14.41 O ATOM 1610 OE2 GLU A 95 3.127 15.054 9.100 1.00 23.14 O ATOM 0 H GLU A 95 1.789 14.373 5.194 1.00 62.31 H new ATOM 0 HA GLU A 95 1.306 17.182 4.722 1.00 62.34 H new ATOM 0 HB2 GLU A 95 3.671 15.642 5.902 1.00 75.04 H new ATOM 0 HB3 GLU A 95 3.458 17.379 5.994 1.00 75.04 H new ATOM 0 HG2 GLU A 95 1.456 17.115 7.391 1.00 51.11 H new ATOM 0 HG3 GLU A 95 1.501 15.374 7.196 1.00 51.11 H new ATOM 1617 N ASP A 96 3.547 15.544 2.911 1.00 70.51 N ATOM 1618 CA ASP A 96 4.464 15.597 1.732 1.00 11.15 C ATOM 1619 C ASP A 96 3.685 15.952 0.453 1.00 42.45 C ATOM 1620 O ASP A 96 4.255 16.439 -0.526 1.00 4.05 O ATOM 1621 CB ASP A 96 5.270 14.274 1.538 1.00 70.43 C ATOM 1622 CG ASP A 96 6.248 13.953 2.692 1.00 51.12 C ATOM 1623 OD1 ASP A 96 6.783 14.896 3.325 1.00 55.52 O ATOM 1624 OD2 ASP A 96 6.507 12.751 2.959 1.00 0.51 O ATOM 0 H ASP A 96 3.417 14.603 3.283 1.00 70.51 H new ATOM 0 HA ASP A 96 5.192 16.383 1.933 1.00 11.15 H new ATOM 0 HB2 ASP A 96 4.568 13.447 1.430 1.00 70.43 H new ATOM 0 HB3 ASP A 96 5.833 14.338 0.607 1.00 70.43 H new ATOM 1629 N LEU A 97 2.377 15.694 0.489 1.00 65.23 N ATOM 1630 CA LEU A 97 1.428 16.070 -0.566 1.00 55.42 C ATOM 1631 C LEU A 97 1.199 17.597 -0.549 1.00 60.23 C ATOM 1632 O LEU A 97 1.198 18.244 -1.600 1.00 65.42 O ATOM 1633 CB LEU A 97 0.083 15.309 -0.342 1.00 3.20 C ATOM 1634 CG LEU A 97 -0.098 13.904 -1.033 1.00 44.04 C ATOM 1635 CD1 LEU A 97 1.203 13.076 -1.093 1.00 3.43 C ATOM 1636 CD2 LEU A 97 -1.217 13.100 -0.331 1.00 74.34 C ATOM 0 H LEU A 97 1.936 15.207 1.269 1.00 65.23 H new ATOM 0 HA LEU A 97 1.833 15.796 -1.540 1.00 55.42 H new ATOM 0 HB2 LEU A 97 -0.048 15.172 0.731 1.00 3.20 H new ATOM 0 HB3 LEU A 97 -0.726 15.955 -0.682 1.00 3.20 H new ATOM 0 HG LEU A 97 -0.382 14.104 -2.066 1.00 44.04 H new ATOM 0 HD11 LEU A 97 1.005 12.122 -1.581 1.00 3.43 H new ATOM 0 HD12 LEU A 97 1.957 13.623 -1.659 1.00 3.43 H new ATOM 0 HD13 LEU A 97 1.568 12.897 -0.081 1.00 3.43 H new ATOM 0 HD21 LEU A 97 -1.331 12.132 -0.819 1.00 74.34 H new ATOM 0 HD22 LEU A 97 -0.955 12.950 0.716 1.00 74.34 H new ATOM 0 HD23 LEU A 97 -2.155 13.651 -0.395 1.00 74.34 H new ATOM 1648 N LYS A 98 1.057 18.155 0.670 1.00 65.22 N ATOM 1649 CA LYS A 98 0.689 19.571 0.869 1.00 54.51 C ATOM 1650 C LYS A 98 1.894 20.490 0.614 1.00 3.33 C ATOM 1651 O LYS A 98 1.786 21.493 -0.097 1.00 43.34 O ATOM 1652 CB LYS A 98 0.113 19.792 2.280 1.00 10.32 C ATOM 1653 CG LYS A 98 -1.088 18.873 2.593 1.00 34.53 C ATOM 1654 CD LYS A 98 -1.939 19.367 3.774 1.00 60.31 C ATOM 1655 CE LYS A 98 -2.765 20.623 3.430 1.00 14.31 C ATOM 1656 NZ LYS A 98 -3.716 20.375 2.309 1.00 34.41 N ATOM 0 H LYS A 98 1.193 17.640 1.540 1.00 65.22 H new ATOM 0 HA LYS A 98 -0.086 19.827 0.146 1.00 54.51 H new ATOM 0 HB2 LYS A 98 0.897 19.620 3.017 1.00 10.32 H new ATOM 0 HB3 LYS A 98 -0.197 20.832 2.381 1.00 10.32 H new ATOM 0 HG2 LYS A 98 -1.718 18.796 1.707 1.00 34.53 H new ATOM 0 HG3 LYS A 98 -0.722 17.870 2.812 1.00 34.53 H new ATOM 0 HD2 LYS A 98 -2.612 18.570 4.089 1.00 60.31 H new ATOM 0 HD3 LYS A 98 -1.287 19.587 4.619 1.00 60.31 H new ATOM 0 HE2 LYS A 98 -3.319 20.945 4.311 1.00 14.31 H new ATOM 0 HE3 LYS A 98 -2.092 21.437 3.161 1.00 14.31 H new ATOM 0 HZ1 LYS A 98 -4.429 21.132 2.284 1.00 34.41 H new ATOM 0 HZ2 LYS A 98 -3.195 20.360 1.409 1.00 34.41 H new ATOM 0 HZ3 LYS A 98 -4.189 19.459 2.451 1.00 34.41 H new