USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 MET CE :methyl -128:sc= -6.89! (180deg=-8.72!) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.481 F(o=-9.6,f=-8.5) USER MOD Set 1.3: A 77 TYR OH : rot 3:sc= -1.08 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.06! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -94:sc= 0.252 USER MOD Single : A 37 CYS SG : rot -150:sc= -0.0258 USER MOD Single : A 39 HIS :FLIP no HD1:sc= 0.0796 F(o=-0.93,f=0.08) USER MOD Single : A 40 CYS SG : rot -148:sc= -0.164 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 48 THR OG1 : rot 64:sc= 1.14 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= -0.122 (180deg=-0.442) USER MOD Single : A 57 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 142:sc= -0.807 (180deg=-3.73!) USER MOD Single : A 68 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.287 K(o=0.29,f=-1.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.94) USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= -0.292 (180deg=-1.74!) USER MOD Single : A 84 THR OG1 : rot 100:sc= 0.744 USER MOD Single : A 86 TYR OH : rot -158:sc= 0.223 USER MOD Single : A 90 SER OG : rot 20:sc= 1.01 USER MOD Single : A 93 LYS NZ :NH3+ -121:sc= 0.851 (180deg=-2.17!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.36) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 110 SER OG : rot -110:sc= 1.27 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= -12.8! C(o=-13!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.843 3.948 -13.090 1.00 0.00 N ATOM 67 CA PRO A 8 7.870 2.561 -12.616 1.00 0.00 C ATOM 68 C PRO A 8 6.605 2.185 -11.853 1.00 0.00 C ATOM 69 O PRO A 8 6.035 1.114 -12.066 1.00 0.00 O ATOM 70 CB PRO A 8 9.086 2.528 -11.686 1.00 0.00 C ATOM 71 CG PRO A 8 9.247 3.935 -11.223 1.00 0.00 C ATOM 72 CD PRO A 8 8.804 4.801 -12.369 1.00 0.00 C ATOM 0 HA PRO A 8 7.927 1.849 -13.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.924 1.851 -10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.976 2.179 -12.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.645 4.125 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.283 4.142 -10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.339 5.723 -12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.642 5.087 -13.004 1.00 0.00 H new ATOM 80 N VAL A 9 6.169 3.071 -10.964 1.00 0.00 N ATOM 81 CA VAL A 9 4.970 2.832 -10.170 1.00 0.00 C ATOM 82 C VAL A 9 3.713 2.945 -11.026 1.00 0.00 C ATOM 83 O VAL A 9 3.387 4.019 -11.532 1.00 0.00 O ATOM 84 CB VAL A 9 4.868 3.822 -8.995 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.602 3.568 -8.191 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.101 3.726 -8.109 1.00 0.00 C ATOM 0 H VAL A 9 6.629 3.962 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 9 5.048 1.819 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 9 4.817 4.833 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.547 4.277 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.731 3.693 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.619 2.552 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.012 4.433 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.186 2.714 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.989 3.962 -8.695 1.00 0.00 H new ATOM 96 N LYS A 10 3.010 1.828 -11.184 1.00 0.00 N ATOM 97 CA LYS A 10 1.787 1.800 -11.977 1.00 0.00 C ATOM 98 C LYS A 10 0.643 2.488 -11.239 1.00 0.00 C ATOM 99 O LYS A 10 0.519 2.370 -10.020 1.00 0.00 O ATOM 100 CB LYS A 10 1.401 0.356 -12.306 1.00 0.00 C ATOM 101 CG LYS A 10 0.110 0.236 -13.097 1.00 0.00 C ATOM 102 CD LYS A 10 0.124 -0.981 -14.006 1.00 0.00 C ATOM 103 CE LYS A 10 -1.085 -1.001 -14.930 1.00 0.00 C ATOM 104 NZ LYS A 10 -0.826 -0.262 -16.196 1.00 0.00 N ATOM 0 H LYS A 10 3.267 0.930 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 10 1.973 2.340 -12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.209 -0.107 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.301 -0.205 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.734 0.168 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.037 1.136 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.038 -0.982 -14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.136 -1.888 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.350 -2.033 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.940 -0.558 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.673 -0.298 -16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.598 0.729 -15.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.026 -0.700 -16.696 1.00 0.00 H new ATOM 118 N VAL A 11 -0.190 3.205 -11.985 1.00 0.00 N ATOM 119 CA VAL A 11 -1.326 3.909 -11.401 1.00 0.00 C ATOM 120 C VAL A 11 -2.621 3.132 -11.608 1.00 0.00 C ATOM 121 O VAL A 11 -2.868 2.594 -12.688 1.00 0.00 O ATOM 122 CB VAL A 11 -1.483 5.318 -12.004 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.121 5.937 -12.277 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.317 5.263 -13.275 1.00 0.00 C ATOM 0 H VAL A 11 -0.100 3.314 -12.995 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.127 3.999 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.003 5.947 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.252 6.932 -12.703 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.438 6.012 -11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.429 5.311 -12.980 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.418 6.267 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.827 4.618 -14.004 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.305 4.864 -13.045 1.00 0.00 H new ATOM 134 N VAL A 12 -3.445 3.077 -10.567 1.00 0.00 N ATOM 135 CA VAL A 12 -4.716 2.367 -10.635 1.00 0.00 C ATOM 136 C VAL A 12 -5.884 3.301 -10.336 1.00 0.00 C ATOM 137 O VAL A 12 -5.795 4.165 -9.464 1.00 0.00 O ATOM 138 CB VAL A 12 -4.753 1.185 -9.648 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.104 0.488 -9.698 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.627 0.207 -9.948 1.00 0.00 C ATOM 0 H VAL A 12 -3.255 3.516 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.811 1.985 -11.651 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.609 1.572 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.110 -0.344 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.889 1.196 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.282 0.112 -10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.667 -0.622 -9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.738 -0.175 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.668 0.717 -9.855 1.00 0.00 H new ATOM 150 N VAL A 13 -6.981 3.120 -11.066 1.00 0.00 N ATOM 151 CA VAL A 13 -8.168 3.945 -10.878 1.00 0.00 C ATOM 152 C VAL A 13 -9.322 3.126 -10.312 1.00 0.00 C ATOM 153 O VAL A 13 -9.186 1.928 -10.068 1.00 0.00 O ATOM 154 CB VAL A 13 -8.615 4.595 -12.201 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.575 5.595 -12.683 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.872 3.531 -13.257 1.00 0.00 C ATOM 0 H VAL A 13 -7.072 2.410 -11.792 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.900 4.728 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.547 5.132 -12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.908 6.044 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.445 6.375 -11.933 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.626 5.084 -12.844 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.187 4.008 -14.185 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.958 2.964 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.656 2.857 -12.911 1.00 0.00 H new ATOM 166 N GLY A 14 -10.461 3.782 -10.105 1.00 0.00 N ATOM 167 CA GLY A 14 -11.623 3.099 -9.570 1.00 0.00 C ATOM 168 C GLY A 14 -12.208 2.096 -10.545 1.00 0.00 C ATOM 169 O GLY A 14 -13.040 1.269 -10.173 1.00 0.00 O ATOM 0 H GLY A 14 -10.598 4.774 -10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.347 2.586 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.384 3.834 -9.310 1.00 0.00 H new ATOM 173 N LYS A 15 -11.773 2.171 -11.799 1.00 0.00 N ATOM 174 CA LYS A 15 -12.258 1.264 -12.832 1.00 0.00 C ATOM 175 C LYS A 15 -11.299 0.094 -13.023 1.00 0.00 C ATOM 176 O LYS A 15 -11.643 -0.909 -13.649 1.00 0.00 O ATOM 177 CB LYS A 15 -12.436 2.013 -14.155 1.00 0.00 C ATOM 178 CG LYS A 15 -11.188 2.023 -15.020 1.00 0.00 C ATOM 179 CD LYS A 15 -11.204 0.893 -16.036 1.00 0.00 C ATOM 180 CE LYS A 15 -11.906 1.308 -17.320 1.00 0.00 C ATOM 181 NZ LYS A 15 -12.075 0.161 -18.255 1.00 0.00 N ATOM 0 H LYS A 15 -11.085 2.851 -12.124 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.223 0.871 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.252 1.556 -14.715 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.730 3.041 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.111 2.979 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.305 1.932 -14.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.181 0.590 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.707 0.025 -15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.883 1.728 -17.080 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.332 2.095 -17.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.557 0.485 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.142 -0.224 -18.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.644 -0.579 -17.797 1.00 0.00 H new ATOM 195 N THR A 16 -10.093 0.228 -12.480 1.00 0.00 N ATOM 196 CA THR A 16 -9.084 -0.817 -12.590 1.00 0.00 C ATOM 197 C THR A 16 -8.544 -1.208 -11.219 1.00 0.00 C ATOM 198 O THR A 16 -7.514 -1.874 -11.113 1.00 0.00 O ATOM 199 CB THR A 16 -7.911 -0.374 -13.484 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.438 0.913 -13.070 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.334 -0.319 -14.944 1.00 0.00 C ATOM 0 H THR A 16 -9.792 1.051 -11.959 1.00 0.00 H new ATOM 0 HA THR A 16 -9.572 -1.679 -13.044 1.00 0.00 H new ATOM 0 HB THR A 16 -7.109 -1.105 -13.382 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.691 1.187 -13.642 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.489 -0.004 -15.556 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.665 -1.307 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.151 0.393 -15.059 1.00 0.00 H new ATOM 209 N PHE A 17 -9.245 -0.789 -10.171 1.00 0.00 N ATOM 210 CA PHE A 17 -8.835 -1.094 -8.805 1.00 0.00 C ATOM 211 C PHE A 17 -9.134 -2.550 -8.461 1.00 0.00 C ATOM 212 O PHE A 17 -8.228 -3.325 -8.151 1.00 0.00 O ATOM 213 CB PHE A 17 -9.547 -0.168 -7.817 1.00 0.00 C ATOM 214 CG PHE A 17 -9.178 -0.424 -6.384 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.637 -1.554 -5.727 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.374 0.468 -5.692 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.299 -1.793 -4.409 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.032 0.235 -4.374 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.496 -0.896 -3.730 1.00 0.00 C ATOM 0 H PHE A 17 -10.100 -0.237 -10.241 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.759 -0.934 -8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.310 0.867 -8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.624 -0.285 -7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.267 -2.257 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.011 1.355 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.662 -2.679 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.402 0.937 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.232 -1.079 -2.699 1.00 0.00 H new ATOM 229 N ASP A 18 -10.410 -2.915 -8.517 1.00 0.00 N ATOM 230 CA ASP A 18 -10.830 -4.278 -8.212 1.00 0.00 C ATOM 231 C ASP A 18 -10.232 -5.267 -9.208 1.00 0.00 C ATOM 232 O ASP A 18 -10.358 -6.480 -9.045 1.00 0.00 O ATOM 233 CB ASP A 18 -12.356 -4.380 -8.226 1.00 0.00 C ATOM 234 CG ASP A 18 -12.977 -3.952 -6.911 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.334 -3.171 -6.177 1.00 0.00 O ATOM 236 OD2 ASP A 18 -14.106 -4.396 -6.616 1.00 0.00 O ATOM 0 H ASP A 18 -11.172 -2.286 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.466 -4.529 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.751 -3.759 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.647 -5.408 -8.444 1.00 0.00 H new ATOM 241 N ALA A 19 -9.584 -4.739 -10.241 1.00 0.00 N ATOM 242 CA ALA A 19 -8.966 -5.575 -11.263 1.00 0.00 C ATOM 243 C ALA A 19 -7.478 -5.766 -10.991 1.00 0.00 C ATOM 244 O ALA A 19 -6.958 -6.878 -11.088 1.00 0.00 O ATOM 245 CB ALA A 19 -9.179 -4.966 -12.642 1.00 0.00 C ATOM 0 H ALA A 19 -9.473 -3.736 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.442 -6.555 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.713 -5.600 -13.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.247 -4.888 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.730 -3.973 -12.675 1.00 0.00 H new ATOM 251 N ILE A 20 -6.799 -4.675 -10.652 1.00 0.00 N ATOM 252 CA ILE A 20 -5.370 -4.724 -10.366 1.00 0.00 C ATOM 253 C ILE A 20 -5.114 -4.874 -8.870 1.00 0.00 C ATOM 254 O ILE A 20 -4.659 -5.920 -8.409 1.00 0.00 O ATOM 255 CB ILE A 20 -4.651 -3.461 -10.875 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.780 -3.352 -12.396 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.187 -3.483 -10.462 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.463 -1.973 -12.932 1.00 0.00 C ATOM 0 H ILE A 20 -7.215 -3.747 -10.569 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.973 -5.594 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.122 -2.586 -10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.112 -4.076 -12.862 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.795 -3.621 -12.687 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.692 -2.584 -10.829 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.116 -3.518 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.703 -4.363 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.575 -1.969 -14.016 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.147 -1.246 -12.494 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.438 -1.708 -12.672 1.00 0.00 H new ATOM 270 N VAL A 21 -5.411 -3.820 -8.116 1.00 0.00 N ATOM 271 CA VAL A 21 -5.216 -3.835 -6.671 1.00 0.00 C ATOM 272 C VAL A 21 -5.843 -5.075 -6.045 1.00 0.00 C ATOM 273 O VAL A 21 -5.437 -5.511 -4.968 1.00 0.00 O ATOM 274 CB VAL A 21 -5.817 -2.579 -6.011 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.596 -2.610 -4.507 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.220 -1.320 -6.621 1.00 0.00 C ATOM 0 H VAL A 21 -5.787 -2.945 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.140 -3.849 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.891 -2.570 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.027 -1.715 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.076 -3.494 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.527 -2.643 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.656 -0.442 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.141 -1.318 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.435 -1.296 -7.689 1.00 0.00 H new ATOM 286 N MET A 22 -6.835 -5.638 -6.726 1.00 0.00 N ATOM 287 CA MET A 22 -7.517 -6.831 -6.237 1.00 0.00 C ATOM 288 C MET A 22 -7.272 -8.017 -7.164 1.00 0.00 C ATOM 289 O MET A 22 -8.153 -8.853 -7.363 1.00 0.00 O ATOM 290 CB MET A 22 -9.019 -6.569 -6.111 1.00 0.00 C ATOM 291 CG MET A 22 -9.365 -5.486 -5.102 1.00 0.00 C ATOM 292 SD MET A 22 -9.317 -6.080 -3.400 1.00 0.00 S ATOM 293 CE MET A 22 -8.672 -4.639 -2.556 1.00 0.00 C ATOM 0 H MET A 22 -7.185 -5.288 -7.618 1.00 0.00 H new ATOM 0 HA MET A 22 -7.113 -7.073 -5.254 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.413 -6.284 -7.087 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.518 -7.494 -5.824 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.667 -4.656 -5.213 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.360 -5.097 -5.319 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.813 -4.927 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.365 -3.894 -3.290 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.445 -4.217 -1.913 1.00 0.00 H new ATOM 303 N ASP A 23 -6.071 -8.083 -7.728 1.00 0.00 N ATOM 304 CA ASP A 23 -5.711 -9.167 -8.634 1.00 0.00 C ATOM 305 C ASP A 23 -5.165 -10.363 -7.860 1.00 0.00 C ATOM 306 O ASP A 23 -4.063 -10.329 -7.312 1.00 0.00 O ATOM 307 CB ASP A 23 -4.674 -8.687 -9.651 1.00 0.00 C ATOM 308 CG ASP A 23 -4.795 -9.403 -10.982 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.933 -9.557 -11.473 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.750 -9.810 -11.533 1.00 0.00 O ATOM 0 H ASP A 23 -5.331 -7.399 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.611 -9.479 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.791 -7.615 -9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.674 -8.843 -9.247 1.00 0.00 H new ATOM 315 N PRO A 24 -5.954 -11.447 -7.811 1.00 0.00 N ATOM 316 CA PRO A 24 -5.572 -12.673 -7.106 1.00 0.00 C ATOM 317 C PRO A 24 -4.435 -13.412 -7.803 1.00 0.00 C ATOM 318 O PRO A 24 -4.027 -14.493 -7.375 1.00 0.00 O ATOM 319 CB PRO A 24 -6.852 -13.513 -7.134 1.00 0.00 C ATOM 320 CG PRO A 24 -7.600 -13.022 -8.325 1.00 0.00 C ATOM 321 CD PRO A 24 -7.281 -11.557 -8.441 1.00 0.00 C ATOM 0 HA PRO A 24 -5.203 -12.467 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.626 -14.576 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.432 -13.382 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.298 -13.559 -9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.672 -13.179 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.261 -11.231 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.021 -10.943 -7.929 1.00 0.00 H new ATOM 329 N LYS A 25 -3.925 -12.823 -8.879 1.00 0.00 N ATOM 330 CA LYS A 25 -2.833 -13.424 -9.636 1.00 0.00 C ATOM 331 C LYS A 25 -1.482 -13.023 -9.053 1.00 0.00 C ATOM 332 O LYS A 25 -0.482 -13.717 -9.242 1.00 0.00 O ATOM 333 CB LYS A 25 -2.911 -13.003 -11.106 1.00 0.00 C ATOM 334 CG LYS A 25 -4.222 -13.377 -11.776 1.00 0.00 C ATOM 335 CD LYS A 25 -4.043 -13.588 -13.270 1.00 0.00 C ATOM 336 CE LYS A 25 -5.071 -14.563 -13.822 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.651 -15.979 -13.633 1.00 0.00 N ATOM 0 H LYS A 25 -4.251 -11.929 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.931 -14.507 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.772 -11.924 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.089 -13.465 -11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.617 -14.287 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.957 -12.591 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.132 -12.632 -13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.040 -13.965 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.029 -14.399 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.223 -14.368 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.379 -16.612 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.750 -16.143 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.531 -16.173 -12.618 1.00 0.00 H new ATOM 351 N LYS A 26 -1.459 -11.901 -8.342 1.00 0.00 N ATOM 352 CA LYS A 26 -0.231 -11.409 -7.728 1.00 0.00 C ATOM 353 C LYS A 26 -0.534 -10.320 -6.704 1.00 0.00 C ATOM 354 O LYS A 26 -1.499 -9.569 -6.849 1.00 0.00 O ATOM 355 CB LYS A 26 0.718 -10.867 -8.799 1.00 0.00 C ATOM 356 CG LYS A 26 0.073 -9.848 -9.723 1.00 0.00 C ATOM 357 CD LYS A 26 1.085 -8.831 -10.224 1.00 0.00 C ATOM 358 CE LYS A 26 1.946 -9.405 -11.340 1.00 0.00 C ATOM 359 NZ LYS A 26 1.259 -9.339 -12.660 1.00 0.00 N ATOM 0 H LYS A 26 -2.277 -11.315 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 26 0.249 -12.243 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.579 -10.410 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.093 -11.699 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.380 -10.360 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.730 -9.334 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.564 -7.944 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.722 -8.513 -9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.886 -8.856 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.194 -10.441 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.878 -9.739 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.374 -9.884 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.045 -8.348 -12.891 1.00 0.00 H new ATOM 373 N ASP A 27 0.297 -10.239 -5.670 1.00 0.00 N ATOM 374 CA ASP A 27 0.119 -9.239 -4.623 1.00 0.00 C ATOM 375 C ASP A 27 0.438 -7.842 -5.146 1.00 0.00 C ATOM 376 O ASP A 27 1.547 -7.579 -5.610 1.00 0.00 O ATOM 377 CB ASP A 27 1.010 -9.563 -3.423 1.00 0.00 C ATOM 378 CG ASP A 27 0.892 -11.011 -2.988 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.524 -11.856 -3.832 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.168 -11.299 -1.805 1.00 0.00 O ATOM 0 H ASP A 27 1.100 -10.853 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.924 -9.260 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.048 -9.346 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.742 -8.913 -2.590 1.00 0.00 H new ATOM 385 N VAL A 28 -0.544 -6.949 -5.069 1.00 0.00 N ATOM 386 CA VAL A 28 -0.368 -5.578 -5.534 1.00 0.00 C ATOM 387 C VAL A 28 -0.375 -4.597 -4.368 1.00 0.00 C ATOM 388 O VAL A 28 -1.328 -4.547 -3.589 1.00 0.00 O ATOM 389 CB VAL A 28 -1.471 -5.179 -6.533 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.290 -3.737 -6.980 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.473 -6.120 -7.728 1.00 0.00 C ATOM 0 H VAL A 28 -1.469 -7.150 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 28 0.599 -5.535 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.436 -5.261 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.078 -3.473 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.343 -3.078 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.319 -3.625 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.258 -5.823 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.507 -6.072 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.655 -7.139 -7.388 1.00 0.00 H new ATOM 401 N LEU A 29 0.693 -3.816 -4.252 1.00 0.00 N ATOM 402 CA LEU A 29 0.811 -2.834 -3.180 1.00 0.00 C ATOM 403 C LEU A 29 0.258 -1.481 -3.618 1.00 0.00 C ATOM 404 O LEU A 29 0.909 -0.743 -4.358 1.00 0.00 O ATOM 405 CB LEU A 29 2.273 -2.686 -2.756 1.00 0.00 C ATOM 406 CG LEU A 29 2.546 -1.702 -1.617 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.169 -2.318 -0.278 1.00 0.00 C ATOM 408 CD2 LEU A 29 4.007 -1.276 -1.618 1.00 0.00 C ATOM 0 H LEU A 29 1.490 -3.844 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 29 0.226 -3.188 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.645 -3.667 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.853 -2.375 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 29 1.930 -0.816 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.370 -1.604 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.109 -2.572 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.758 -3.221 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.182 -0.576 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.642 -2.153 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.245 -0.794 -2.566 1.00 0.00 H new ATOM 420 N ILE A 30 -0.945 -1.162 -3.153 1.00 0.00 N ATOM 421 CA ILE A 30 -1.584 0.103 -3.494 1.00 0.00 C ATOM 422 C ILE A 30 -1.250 1.181 -2.469 1.00 0.00 C ATOM 423 O ILE A 30 -1.273 0.934 -1.264 1.00 0.00 O ATOM 424 CB ILE A 30 -3.114 -0.046 -3.586 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.744 1.246 -4.112 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.694 -0.408 -2.227 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.426 1.525 -5.564 1.00 0.00 C ATOM 0 H ILE A 30 -1.497 -1.762 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.197 0.400 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.344 -0.851 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.826 1.189 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.398 2.083 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.776 -0.510 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.265 -1.351 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.457 0.377 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.905 2.455 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.347 1.614 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.797 0.707 -6.181 1.00 0.00 H new ATOM 439 N GLU A 31 -0.942 2.379 -2.957 1.00 0.00 N ATOM 440 CA GLU A 31 -0.604 3.496 -2.082 1.00 0.00 C ATOM 441 C GLU A 31 -1.487 4.704 -2.377 1.00 0.00 C ATOM 442 O GLU A 31 -1.321 5.375 -3.396 1.00 0.00 O ATOM 443 CB GLU A 31 0.869 3.874 -2.247 1.00 0.00 C ATOM 444 CG GLU A 31 1.318 4.991 -1.320 1.00 0.00 C ATOM 445 CD GLU A 31 1.000 6.368 -1.868 1.00 0.00 C ATOM 446 OE1 GLU A 31 1.220 6.590 -3.077 1.00 0.00 O ATOM 447 OE2 GLU A 31 0.532 7.224 -1.089 1.00 0.00 O ATOM 0 H GLU A 31 -0.920 2.601 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.778 3.184 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.484 2.993 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.044 4.177 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.835 4.870 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.392 4.910 -1.153 1.00 0.00 H new ATOM 454 N PHE A 32 -2.427 4.976 -1.478 1.00 0.00 N ATOM 455 CA PHE A 32 -3.339 6.103 -1.642 1.00 0.00 C ATOM 456 C PHE A 32 -2.636 7.421 -1.329 1.00 0.00 C ATOM 457 O PHE A 32 -2.361 7.730 -0.169 1.00 0.00 O ATOM 458 CB PHE A 32 -4.559 5.935 -0.735 1.00 0.00 C ATOM 459 CG PHE A 32 -5.298 4.646 -0.957 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.895 4.376 -2.178 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.397 3.706 0.056 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.575 3.191 -2.386 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.076 2.519 -0.147 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.667 2.262 -1.369 1.00 0.00 C ATOM 0 H PHE A 32 -2.578 4.432 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.668 6.124 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.238 5.986 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.242 6.769 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.828 5.100 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.939 3.903 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.034 2.992 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.144 1.793 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.200 1.336 -1.528 1.00 0.00 H new ATOM 474 N TYR A 33 -2.348 8.193 -2.370 1.00 0.00 N ATOM 475 CA TYR A 33 -1.675 9.476 -2.208 1.00 0.00 C ATOM 476 C TYR A 33 -2.646 10.632 -2.427 1.00 0.00 C ATOM 477 O TYR A 33 -3.644 10.494 -3.133 1.00 0.00 O ATOM 478 CB TYR A 33 -0.503 9.588 -3.185 1.00 0.00 C ATOM 479 CG TYR A 33 -0.928 9.663 -4.634 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.401 10.850 -5.179 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.856 8.547 -5.458 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.791 10.924 -6.502 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.243 8.611 -6.783 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.709 9.802 -7.300 1.00 0.00 C ATOM 485 OH TYR A 33 -2.096 9.869 -8.619 1.00 0.00 O ATOM 0 H TYR A 33 -2.570 7.953 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.296 9.532 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.080 10.476 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.154 8.728 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.465 11.731 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.491 7.613 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.158 11.855 -6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.181 7.734 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.030 9.582 -8.701 1.00 0.00 H new ATOM 495 N ALA A 34 -2.344 11.773 -1.816 1.00 0.00 N ATOM 496 CA ALA A 34 -3.188 12.955 -1.945 1.00 0.00 C ATOM 497 C ALA A 34 -2.452 14.078 -2.668 1.00 0.00 C ATOM 498 O ALA A 34 -1.375 14.512 -2.258 1.00 0.00 O ATOM 499 CB ALA A 34 -3.653 13.423 -0.574 1.00 0.00 C ATOM 0 H ALA A 34 -1.522 11.904 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.061 12.686 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.282 14.306 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.224 12.629 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.786 13.670 0.039 1.00 0.00 H new ATOM 505 N PRO A 35 -3.044 14.561 -3.770 1.00 0.00 N ATOM 506 CA PRO A 35 -2.462 15.640 -4.574 1.00 0.00 C ATOM 507 C PRO A 35 -2.493 16.982 -3.851 1.00 0.00 C ATOM 508 O PRO A 35 -2.065 18.000 -4.395 1.00 0.00 O ATOM 509 CB PRO A 35 -3.357 15.680 -5.815 1.00 0.00 C ATOM 510 CG PRO A 35 -4.661 15.121 -5.360 1.00 0.00 C ATOM 511 CD PRO A 35 -4.328 14.091 -4.317 1.00 0.00 C ATOM 0 HA PRO A 35 -1.410 15.461 -4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.471 16.698 -6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.934 15.088 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.298 15.903 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.205 14.673 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.097 14.036 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.240 13.095 -4.750 1.00 0.00 H new ATOM 519 N TRP A 36 -3.000 16.976 -2.624 1.00 0.00 N ATOM 520 CA TRP A 36 -3.086 18.195 -1.827 1.00 0.00 C ATOM 521 C TRP A 36 -2.391 18.015 -0.482 1.00 0.00 C ATOM 522 O TRP A 36 -2.547 18.836 0.423 1.00 0.00 O ATOM 523 CB TRP A 36 -4.549 18.586 -1.611 1.00 0.00 C ATOM 524 CG TRP A 36 -5.434 17.419 -1.293 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.263 16.760 -2.156 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.581 16.776 -0.022 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.916 15.746 -1.498 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.515 15.734 -0.188 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.014 16.977 1.239 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.892 14.899 0.860 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.390 16.148 2.278 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.321 15.119 2.084 1.00 0.00 C ATOM 0 H TRP A 36 -3.358 16.142 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.581 18.993 -2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.608 19.310 -0.798 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.921 19.082 -2.507 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.387 17.001 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.590 15.106 -1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.295 17.766 1.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.610 14.106 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.959 16.296 3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.593 14.487 2.917 1.00 0.00 H new ATOM 543 N CYS A 37 -1.624 16.938 -0.356 1.00 0.00 N ATOM 544 CA CYS A 37 -0.905 16.651 0.880 1.00 0.00 C ATOM 545 C CYS A 37 0.603 16.671 0.649 1.00 0.00 C ATOM 546 O CYS A 37 1.078 16.372 -0.445 1.00 0.00 O ATOM 547 CB CYS A 37 -1.329 15.291 1.437 1.00 0.00 C ATOM 548 SG CYS A 37 -0.819 15.003 3.148 1.00 0.00 S ATOM 0 H CYS A 37 -1.484 16.249 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.154 17.426 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.414 15.206 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.911 14.506 0.807 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.629 13.731 3.336 1.00 0.00 H new ATOM 554 N GLY A 38 1.351 17.029 1.689 1.00 0.00 N ATOM 555 CA GLY A 38 2.797 17.084 1.579 1.00 0.00 C ATOM 556 C GLY A 38 3.462 15.801 2.035 1.00 0.00 C ATOM 557 O GLY A 38 4.331 15.265 1.347 1.00 0.00 O ATOM 0 H GLY A 38 0.981 17.282 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.072 17.284 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.172 17.916 2.175 1.00 0.00 H new ATOM 561 N HIS A 39 3.056 15.307 3.200 1.00 0.00 N ATOM 562 CA HIS A 39 3.620 14.078 3.749 1.00 0.00 C ATOM 563 C HIS A 39 3.665 12.981 2.689 1.00 0.00 C ATOM 564 O HIS A 39 4.425 12.020 2.810 1.00 0.00 O ATOM 565 CB HIS A 39 2.801 13.609 4.951 1.00 0.00 C ATOM 566 CG HIS A 39 2.713 14.624 6.049 1.00 0.00 C ATOM 567 ND1 HIS A 39 2.024 15.786 6.127 1.00 0.00 N flip ATOM 568 CD2 HIS A 39 3.389 14.499 7.245 1.00 0.00 C flip ATOM 569 CE1 HIS A 39 2.293 16.337 7.356 1.00 0.00 C flip ATOM 570 NE2 HIS A 39 3.119 15.541 8.011 1.00 0.00 N flip ATOM 0 H HIS A 39 2.339 15.738 3.783 1.00 0.00 H new ATOM 0 HA HIS A 39 4.639 14.288 4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.794 13.358 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.243 12.695 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.037 13.678 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.894 17.270 7.727 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.486 15.703 8.949 1.00 0.00 H new ATOM 579 N CYS A 40 2.847 13.132 1.654 1.00 0.00 N ATOM 580 CA CYS A 40 2.792 12.153 0.574 1.00 0.00 C ATOM 581 C CYS A 40 3.707 12.560 -0.576 1.00 0.00 C ATOM 582 O CYS A 40 4.195 11.714 -1.326 1.00 0.00 O ATOM 583 CB CYS A 40 1.357 11.999 0.069 1.00 0.00 C ATOM 584 SG CYS A 40 0.874 13.224 -1.170 1.00 0.00 S ATOM 0 H CYS A 40 2.213 13.923 1.539 1.00 0.00 H new ATOM 0 HA CYS A 40 3.136 11.196 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.238 11.002 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.676 12.068 0.917 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.393 13.489 -1.047 1.00 0.00 H new ATOM 590 N LYS A 41 3.936 13.862 -0.711 1.00 0.00 N ATOM 591 CA LYS A 41 4.792 14.384 -1.769 1.00 0.00 C ATOM 592 C LYS A 41 6.246 13.987 -1.538 1.00 0.00 C ATOM 593 O LYS A 41 6.999 13.775 -2.488 1.00 0.00 O ATOM 594 CB LYS A 41 4.674 15.908 -1.845 1.00 0.00 C ATOM 595 CG LYS A 41 5.742 16.640 -1.051 1.00 0.00 C ATOM 596 CD LYS A 41 5.640 18.145 -1.236 1.00 0.00 C ATOM 597 CE LYS A 41 6.602 18.886 -0.319 1.00 0.00 C ATOM 598 NZ LYS A 41 6.085 18.972 1.075 1.00 0.00 N ATOM 0 H LYS A 41 3.540 14.576 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 41 4.462 13.953 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.733 16.217 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.692 16.207 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.643 16.395 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.728 16.300 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.855 18.400 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.619 18.469 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.566 18.378 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.771 19.891 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.769 19.484 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.177 19.479 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.947 18.013 1.454 1.00 0.00 H new ATOM 612 N GLN A 42 6.633 13.886 -0.271 1.00 0.00 N ATOM 613 CA GLN A 42 7.998 13.514 0.084 1.00 0.00 C ATOM 614 C GLN A 42 8.256 12.042 -0.220 1.00 0.00 C ATOM 615 O GLN A 42 9.404 11.620 -0.368 1.00 0.00 O ATOM 616 CB GLN A 42 8.257 13.794 1.565 1.00 0.00 C ATOM 617 CG GLN A 42 7.974 12.604 2.468 1.00 0.00 C ATOM 618 CD GLN A 42 8.333 12.871 3.916 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.178 13.989 4.410 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.816 11.845 4.606 1.00 0.00 N ATOM 0 H GLN A 42 6.021 14.056 0.527 1.00 0.00 H new ATOM 0 HA GLN A 42 8.680 14.116 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.296 14.097 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.639 14.634 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.917 12.346 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.536 11.741 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.928 10.936 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.075 11.966 5.585 1.00 0.00 H new ATOM 629 N LEU A 43 7.183 11.264 -0.312 1.00 0.00 N ATOM 630 CA LEU A 43 7.294 9.838 -0.599 1.00 0.00 C ATOM 631 C LEU A 43 7.250 9.580 -2.101 1.00 0.00 C ATOM 632 O LEU A 43 7.571 8.485 -2.561 1.00 0.00 O ATOM 633 CB LEU A 43 6.168 9.070 0.095 1.00 0.00 C ATOM 634 CG LEU A 43 6.131 7.562 -0.155 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.252 6.867 0.603 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.780 6.987 0.245 1.00 0.00 C ATOM 0 H LEU A 43 6.226 11.597 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 43 8.253 9.489 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.249 9.238 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.216 9.494 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 43 6.277 7.387 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.209 5.795 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.213 7.257 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.137 7.051 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.773 5.913 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.604 7.174 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.994 7.462 -0.342 1.00 0.00 H new ATOM 648 N GLU A 44 6.853 10.596 -2.860 1.00 0.00 N ATOM 649 CA GLU A 44 6.769 10.478 -4.311 1.00 0.00 C ATOM 650 C GLU A 44 7.992 9.756 -4.870 1.00 0.00 C ATOM 651 O GLU A 44 7.884 8.741 -5.559 1.00 0.00 O ATOM 652 CB GLU A 44 6.645 11.863 -4.951 1.00 0.00 C ATOM 653 CG GLU A 44 5.208 12.308 -5.165 1.00 0.00 C ATOM 654 CD GLU A 44 5.052 13.222 -6.364 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.061 12.711 -7.504 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.922 14.448 -6.164 1.00 0.00 O ATOM 0 H GLU A 44 6.585 11.510 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 44 5.881 9.893 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.152 12.592 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.162 11.858 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.576 11.430 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.855 12.823 -4.272 1.00 0.00 H new ATOM 663 N PRO A 45 9.184 10.290 -4.567 1.00 0.00 N ATOM 664 CA PRO A 45 10.450 9.713 -5.028 1.00 0.00 C ATOM 665 C PRO A 45 10.764 8.384 -4.349 1.00 0.00 C ATOM 666 O PRO A 45 11.114 7.406 -5.009 1.00 0.00 O ATOM 667 CB PRO A 45 11.485 10.771 -4.637 1.00 0.00 C ATOM 668 CG PRO A 45 10.869 11.498 -3.492 1.00 0.00 C ATOM 669 CD PRO A 45 9.388 11.498 -3.750 1.00 0.00 C ATOM 0 HA PRO A 45 10.431 9.489 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.432 10.312 -4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.695 11.445 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.101 11.006 -2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.253 12.516 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.818 11.456 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.072 12.398 -4.278 1.00 0.00 H new ATOM 677 N ILE A 46 10.634 8.356 -3.026 1.00 0.00 N ATOM 678 CA ILE A 46 10.902 7.146 -2.259 1.00 0.00 C ATOM 679 C ILE A 46 10.148 5.952 -2.834 1.00 0.00 C ATOM 680 O ILE A 46 10.722 4.882 -3.037 1.00 0.00 O ATOM 681 CB ILE A 46 10.513 7.321 -0.779 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.391 8.387 -0.120 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.633 5.997 -0.040 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.803 8.952 1.153 1.00 0.00 C ATOM 0 H ILE A 46 10.345 9.157 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 46 11.974 6.961 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 46 9.475 7.651 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.368 7.956 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.554 9.200 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.355 6.137 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.969 5.264 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.661 5.640 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.479 9.701 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.839 9.413 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.666 8.150 1.878 1.00 0.00 H new ATOM 696 N TYR A 47 8.860 6.144 -3.095 1.00 0.00 N ATOM 697 CA TYR A 47 8.026 5.082 -3.647 1.00 0.00 C ATOM 698 C TYR A 47 8.496 4.691 -5.045 1.00 0.00 C ATOM 699 O TYR A 47 8.458 3.519 -5.421 1.00 0.00 O ATOM 700 CB TYR A 47 6.563 5.526 -3.694 1.00 0.00 C ATOM 701 CG TYR A 47 5.580 4.386 -3.563 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.528 3.617 -2.407 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.701 4.078 -4.594 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.631 2.573 -2.283 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.800 3.037 -4.479 1.00 0.00 C ATOM 706 CZ TYR A 47 3.769 2.288 -3.321 1.00 0.00 C ATOM 707 OH TYR A 47 2.873 1.250 -3.201 1.00 0.00 O ATOM 0 H TYR A 47 8.371 7.024 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 47 8.114 4.211 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.384 6.243 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.380 6.046 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.200 3.839 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.722 4.663 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.605 1.984 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.124 2.811 -5.291 1.00 0.00 H new ATOM 0 HH TYR A 47 2.338 1.183 -4.020 1.00 0.00 H new ATOM 717 N THR A 48 8.941 5.682 -5.811 1.00 0.00 N ATOM 718 CA THR A 48 9.419 5.444 -7.167 1.00 0.00 C ATOM 719 C THR A 48 10.460 4.331 -7.196 1.00 0.00 C ATOM 720 O THR A 48 10.288 3.324 -7.884 1.00 0.00 O ATOM 721 CB THR A 48 10.029 6.718 -7.780 1.00 0.00 C ATOM 722 OG1 THR A 48 9.054 7.766 -7.802 1.00 0.00 O ATOM 723 CG2 THR A 48 10.529 6.454 -9.192 1.00 0.00 C ATOM 0 H THR A 48 8.980 6.657 -5.515 1.00 0.00 H new ATOM 0 HA THR A 48 8.554 5.144 -7.758 1.00 0.00 H new ATOM 0 HB THR A 48 10.875 7.022 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.810 8.005 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.955 7.369 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.292 5.676 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.698 6.128 -9.817 1.00 0.00 H new ATOM 731 N SER A 49 11.540 4.517 -6.444 1.00 0.00 N ATOM 732 CA SER A 49 12.611 3.530 -6.386 1.00 0.00 C ATOM 733 C SER A 49 12.112 2.221 -5.782 1.00 0.00 C ATOM 734 O SER A 49 12.486 1.135 -6.227 1.00 0.00 O ATOM 735 CB SER A 49 13.786 4.068 -5.567 1.00 0.00 C ATOM 736 OG SER A 49 14.498 5.059 -6.286 1.00 0.00 O ATOM 0 H SER A 49 11.696 5.343 -5.866 1.00 0.00 H new ATOM 0 HA SER A 49 12.947 3.335 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.419 4.488 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.458 3.249 -5.308 1.00 0.00 H new ATOM 0 HG SER A 49 15.243 5.388 -5.740 1.00 0.00 H new ATOM 742 N LEU A 50 11.264 2.332 -4.765 1.00 0.00 N ATOM 743 CA LEU A 50 10.712 1.159 -4.097 1.00 0.00 C ATOM 744 C LEU A 50 9.990 0.256 -5.092 1.00 0.00 C ATOM 745 O LEU A 50 9.914 -0.957 -4.903 1.00 0.00 O ATOM 746 CB LEU A 50 9.750 1.585 -2.987 1.00 0.00 C ATOM 747 CG LEU A 50 9.173 0.458 -2.129 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.104 0.141 -0.969 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.789 0.831 -1.618 1.00 0.00 C ATOM 0 H LEU A 50 10.944 3.223 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 50 11.538 0.599 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.270 2.284 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.922 2.130 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 50 9.081 -0.434 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.677 -0.663 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.074 -0.170 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.228 1.029 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.394 0.017 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.856 1.736 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.124 1.007 -2.464 1.00 0.00 H new ATOM 761 N GLY A 51 9.463 0.857 -6.155 1.00 0.00 N ATOM 762 CA GLY A 51 8.757 0.091 -7.166 1.00 0.00 C ATOM 763 C GLY A 51 9.658 -0.330 -8.309 1.00 0.00 C ATOM 764 O GLY A 51 9.782 -1.519 -8.607 1.00 0.00 O ATOM 0 H GLY A 51 9.512 1.860 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.320 -0.796 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.932 0.686 -7.558 1.00 0.00 H new ATOM 768 N LYS A 52 10.288 0.645 -8.954 1.00 0.00 N ATOM 769 CA LYS A 52 11.183 0.371 -10.072 1.00 0.00 C ATOM 770 C LYS A 52 12.225 -0.676 -9.691 1.00 0.00 C ATOM 771 O LYS A 52 12.667 -1.461 -10.529 1.00 0.00 O ATOM 772 CB LYS A 52 11.878 1.657 -10.524 1.00 0.00 C ATOM 773 CG LYS A 52 13.208 1.905 -9.833 1.00 0.00 C ATOM 774 CD LYS A 52 13.801 3.246 -10.231 1.00 0.00 C ATOM 775 CE LYS A 52 14.643 3.131 -11.492 1.00 0.00 C ATOM 776 NZ LYS A 52 16.020 2.645 -11.197 1.00 0.00 N ATOM 0 H LYS A 52 10.195 1.634 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 52 10.585 -0.020 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.040 1.613 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.217 2.503 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.069 1.874 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.906 1.107 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.999 3.966 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.415 3.630 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.159 2.449 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.698 4.103 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.562 2.580 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.491 3.309 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.969 1.706 -10.753 1.00 0.00 H new ATOM 790 N LYS A 53 12.614 -0.682 -8.420 1.00 0.00 N ATOM 791 CA LYS A 53 13.602 -1.633 -7.926 1.00 0.00 C ATOM 792 C LYS A 53 12.978 -3.010 -7.723 1.00 0.00 C ATOM 793 O LYS A 53 13.594 -4.032 -8.026 1.00 0.00 O ATOM 794 CB LYS A 53 14.205 -1.136 -6.610 1.00 0.00 C ATOM 795 CG LYS A 53 13.331 -1.409 -5.399 1.00 0.00 C ATOM 796 CD LYS A 53 13.739 -0.553 -4.212 1.00 0.00 C ATOM 797 CE LYS A 53 15.124 -0.925 -3.706 1.00 0.00 C ATOM 798 NZ LYS A 53 15.085 -2.101 -2.794 1.00 0.00 N ATOM 0 H LYS A 53 12.259 -0.038 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 53 14.392 -1.718 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.175 -1.611 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.384 -0.063 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.289 -1.212 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.400 -2.463 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.726 0.499 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.012 -0.673 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.773 -1.144 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.560 -0.074 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.049 -2.322 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.486 -1.883 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.693 -2.920 -3.301 1.00 0.00 H new ATOM 812 N TYR A 54 11.752 -3.029 -7.211 1.00 0.00 N ATOM 813 CA TYR A 54 11.045 -4.281 -6.967 1.00 0.00 C ATOM 814 C TYR A 54 10.493 -4.857 -8.268 1.00 0.00 C ATOM 815 O TYR A 54 9.839 -5.900 -8.271 1.00 0.00 O ATOM 816 CB TYR A 54 9.907 -4.062 -5.969 1.00 0.00 C ATOM 817 CG TYR A 54 10.315 -4.274 -4.529 1.00 0.00 C ATOM 818 CD1 TYR A 54 11.106 -3.343 -3.866 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.909 -5.404 -3.831 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.482 -3.533 -2.551 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.279 -5.602 -2.514 1.00 0.00 C ATOM 822 CZ TYR A 54 11.066 -4.664 -1.879 1.00 0.00 C ATOM 823 OH TYR A 54 11.437 -4.856 -0.568 1.00 0.00 O ATOM 0 H TYR A 54 11.227 -2.192 -6.957 1.00 0.00 H new ATOM 0 HA TYR A 54 11.755 -4.994 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.525 -3.048 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.089 -4.740 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.432 -2.456 -4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.294 -6.141 -4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.098 -2.800 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.954 -6.486 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 54 11.061 -5.700 -0.242 1.00 0.00 H new ATOM 833 N LYS A 55 10.761 -4.169 -9.373 1.00 0.00 N ATOM 834 CA LYS A 55 10.294 -4.611 -10.681 1.00 0.00 C ATOM 835 C LYS A 55 10.795 -6.018 -10.992 1.00 0.00 C ATOM 836 O LYS A 55 10.183 -6.748 -11.770 1.00 0.00 O ATOM 837 CB LYS A 55 10.763 -3.640 -11.767 1.00 0.00 C ATOM 838 CG LYS A 55 9.981 -2.338 -11.799 1.00 0.00 C ATOM 839 CD LYS A 55 8.783 -2.430 -12.730 1.00 0.00 C ATOM 840 CE LYS A 55 7.509 -2.762 -11.969 1.00 0.00 C ATOM 841 NZ LYS A 55 7.137 -1.682 -11.013 1.00 0.00 N ATOM 0 H LYS A 55 11.299 -3.303 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 55 9.204 -4.629 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.818 -3.416 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.681 -4.127 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.643 -2.091 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.634 -1.528 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.657 -1.484 -13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.966 -3.194 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.694 -2.918 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.644 -3.697 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.106 -1.681 -10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.609 -1.848 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.436 -0.762 -11.395 1.00 0.00 H new ATOM 855 N GLY A 56 11.913 -6.392 -10.376 1.00 0.00 N ATOM 856 CA GLY A 56 12.476 -7.711 -10.599 1.00 0.00 C ATOM 857 C GLY A 56 11.966 -8.735 -9.604 1.00 0.00 C ATOM 858 O GLY A 56 12.716 -9.603 -9.159 1.00 0.00 O ATOM 0 H GLY A 56 12.438 -5.806 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.234 -8.040 -11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.563 -7.655 -10.533 1.00 0.00 H new ATOM 862 N GLN A 57 10.688 -8.632 -9.253 1.00 0.00 N ATOM 863 CA GLN A 57 10.081 -9.555 -8.303 1.00 0.00 C ATOM 864 C GLN A 57 9.160 -10.541 -9.014 1.00 0.00 C ATOM 865 O GLN A 57 8.861 -10.385 -10.198 1.00 0.00 O ATOM 866 CB GLN A 57 9.297 -8.783 -7.240 1.00 0.00 C ATOM 867 CG GLN A 57 10.130 -8.403 -6.026 1.00 0.00 C ATOM 868 CD GLN A 57 10.669 -9.612 -5.287 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.596 -10.276 -5.752 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.090 -9.904 -4.128 1.00 0.00 N ATOM 0 H GLN A 57 10.054 -7.919 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 57 10.880 -10.117 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.889 -7.877 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.450 -9.387 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.962 -7.775 -6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.522 -7.807 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.325 -9.326 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.411 -10.706 -3.585 1.00 0.00 H new ATOM 879 N LYS A 58 8.714 -11.558 -8.284 1.00 0.00 N ATOM 880 CA LYS A 58 7.827 -12.571 -8.844 1.00 0.00 C ATOM 881 C LYS A 58 6.386 -12.337 -8.400 1.00 0.00 C ATOM 882 O LYS A 58 6.054 -12.504 -7.226 1.00 0.00 O ATOM 883 CB LYS A 58 8.283 -13.969 -8.419 1.00 0.00 C ATOM 884 CG LYS A 58 7.794 -15.073 -9.340 1.00 0.00 C ATOM 885 CD LYS A 58 8.548 -15.074 -10.659 1.00 0.00 C ATOM 886 CE LYS A 58 8.212 -16.302 -11.492 1.00 0.00 C ATOM 887 NZ LYS A 58 6.815 -16.258 -12.006 1.00 0.00 N ATOM 0 H LYS A 58 8.952 -11.703 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 58 7.871 -12.497 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.372 -13.992 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.927 -14.166 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.917 -16.038 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.728 -14.945 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.301 -14.173 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.620 -15.046 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.905 -16.373 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.349 -17.199 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.625 -17.112 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.152 -16.216 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.691 -15.416 -12.603 1.00 0.00 H new ATOM 901 N ASP A 59 5.536 -11.953 -9.345 1.00 0.00 N ATOM 902 CA ASP A 59 4.130 -11.699 -9.051 1.00 0.00 C ATOM 903 C ASP A 59 3.981 -10.557 -8.050 1.00 0.00 C ATOM 904 O ASP A 59 3.296 -10.692 -7.036 1.00 0.00 O ATOM 905 CB ASP A 59 3.465 -12.963 -8.503 1.00 0.00 C ATOM 906 CG ASP A 59 4.173 -14.228 -8.948 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.228 -14.479 -10.170 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.671 -14.967 -8.073 1.00 0.00 O ATOM 0 H ASP A 59 5.795 -11.811 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 59 3.637 -11.411 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.453 -12.921 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.427 -12.996 -8.833 1.00 0.00 H new ATOM 913 N LEU A 60 4.628 -9.434 -8.342 1.00 0.00 N ATOM 914 CA LEU A 60 4.569 -8.268 -7.467 1.00 0.00 C ATOM 915 C LEU A 60 4.647 -6.977 -8.275 1.00 0.00 C ATOM 916 O LEU A 60 5.575 -6.777 -9.059 1.00 0.00 O ATOM 917 CB LEU A 60 5.708 -8.314 -6.446 1.00 0.00 C ATOM 918 CG LEU A 60 5.670 -7.247 -5.351 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.858 -7.734 -4.160 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.081 -6.875 -4.920 1.00 0.00 C ATOM 0 H LEU A 60 5.199 -9.306 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 60 3.615 -8.288 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.704 -9.295 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.653 -8.224 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 60 5.188 -6.356 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.842 -6.962 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.838 -7.950 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.311 -8.639 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.035 -6.115 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.589 -7.759 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.632 -6.484 -5.776 1.00 0.00 H new ATOM 932 N VAL A 61 3.666 -6.102 -8.078 1.00 0.00 N ATOM 933 CA VAL A 61 3.625 -4.827 -8.785 1.00 0.00 C ATOM 934 C VAL A 61 3.175 -3.700 -7.862 1.00 0.00 C ATOM 935 O VAL A 61 2.018 -3.650 -7.445 1.00 0.00 O ATOM 936 CB VAL A 61 2.679 -4.890 -9.999 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.713 -3.580 -10.771 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.046 -6.059 -10.901 1.00 0.00 C ATOM 0 H VAL A 61 2.889 -6.253 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 61 4.638 -4.625 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 61 1.663 -5.045 -9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.039 -3.643 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.398 -2.765 -10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.727 -3.391 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.367 -6.088 -11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.069 -5.937 -11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.965 -6.990 -10.341 1.00 0.00 H new ATOM 948 N ILE A 62 4.098 -2.798 -7.547 1.00 0.00 N ATOM 949 CA ILE A 62 3.796 -1.670 -6.675 1.00 0.00 C ATOM 950 C ILE A 62 3.077 -0.562 -7.437 1.00 0.00 C ATOM 951 O ILE A 62 3.695 0.190 -8.189 1.00 0.00 O ATOM 952 CB ILE A 62 5.074 -1.093 -6.038 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.608 -2.043 -4.963 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.798 0.282 -5.447 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.949 -1.625 -4.400 1.00 0.00 C ATOM 0 H ILE A 62 5.061 -2.826 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 62 3.145 -2.047 -5.887 1.00 0.00 H new ATOM 0 HB ILE A 62 5.833 -0.988 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.884 -2.103 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.696 -3.044 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.711 0.676 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.459 0.955 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.026 0.201 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.266 -2.343 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.686 -1.593 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.862 -0.637 -3.948 1.00 0.00 H new ATOM 967 N ALA A 63 1.767 -0.467 -7.235 1.00 0.00 N ATOM 968 CA ALA A 63 0.963 0.551 -7.900 1.00 0.00 C ATOM 969 C ALA A 63 0.485 1.607 -6.909 1.00 0.00 C ATOM 970 O ALA A 63 0.637 1.450 -5.697 1.00 0.00 O ATOM 971 CB ALA A 63 -0.223 -0.090 -8.605 1.00 0.00 C ATOM 0 H ALA A 63 1.240 -1.083 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 63 1.589 1.045 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.814 0.682 -9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.137 -0.801 -9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.842 -0.611 -7.875 1.00 0.00 H new ATOM 977 N LYS A 64 -0.094 2.683 -7.431 1.00 0.00 N ATOM 978 CA LYS A 64 -0.596 3.765 -6.593 1.00 0.00 C ATOM 979 C LYS A 64 -1.951 4.257 -7.093 1.00 0.00 C ATOM 980 O LYS A 64 -2.361 3.944 -8.210 1.00 0.00 O ATOM 981 CB LYS A 64 0.402 4.924 -6.568 1.00 0.00 C ATOM 982 CG LYS A 64 0.660 5.534 -7.935 1.00 0.00 C ATOM 983 CD LYS A 64 1.571 6.747 -7.842 1.00 0.00 C ATOM 984 CE LYS A 64 2.072 7.174 -9.213 1.00 0.00 C ATOM 985 NZ LYS A 64 3.118 8.230 -9.116 1.00 0.00 N ATOM 0 H LYS A 64 -0.227 2.829 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.720 3.379 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.029 5.699 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.346 4.571 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.112 4.788 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.287 5.823 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.033 7.573 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.420 6.517 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.477 6.309 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.236 7.544 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.434 8.494 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.724 9.066 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.927 7.868 -8.571 1.00 0.00 H new ATOM 999 N MET A 65 -2.639 5.030 -6.260 1.00 0.00 N ATOM 1000 CA MET A 65 -3.946 5.568 -6.620 1.00 0.00 C ATOM 1001 C MET A 65 -4.276 6.800 -5.783 1.00 0.00 C ATOM 1002 O MET A 65 -3.745 6.978 -4.687 1.00 0.00 O ATOM 1003 CB MET A 65 -5.029 4.504 -6.431 1.00 0.00 C ATOM 1004 CG MET A 65 -6.437 5.019 -6.682 1.00 0.00 C ATOM 1005 SD MET A 65 -7.571 3.715 -7.196 1.00 0.00 S ATOM 1006 CE MET A 65 -8.876 3.904 -5.984 1.00 0.00 C ATOM 0 H MET A 65 -2.314 5.298 -5.331 1.00 0.00 H new ATOM 0 HA MET A 65 -3.914 5.861 -7.669 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.830 3.671 -7.105 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.970 4.113 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.816 5.488 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.406 5.792 -7.450 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.842 3.738 -6.461 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.737 3.178 -5.183 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.845 4.912 -5.570 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.155 7.647 -6.308 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.556 8.862 -5.608 1.00 0.00 C ATOM 1018 C ASP A 66 -6.948 8.706 -5.002 1.00 0.00 C ATOM 1019 O ASP A 66 -7.950 9.055 -5.626 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.533 10.057 -6.563 1.00 0.00 C ATOM 1021 CG ASP A 66 -5.818 9.657 -7.998 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -5.030 8.869 -8.562 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -6.830 10.131 -8.555 1.00 0.00 O ATOM 0 H ASP A 66 -5.603 7.515 -7.215 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.845 9.038 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.271 10.791 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.558 10.542 -6.511 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.001 8.180 -3.783 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.269 7.978 -3.093 1.00 0.00 C ATOM 1030 C ALA A 67 -9.069 9.275 -3.025 1.00 0.00 C ATOM 1031 O ALA A 67 -10.298 9.256 -2.957 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.027 7.431 -1.694 1.00 0.00 C ATOM 0 H ALA A 67 -6.181 7.886 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.851 7.251 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.982 7.285 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.503 6.478 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.422 8.138 -1.127 1.00 0.00 H new ATOM 1038 N THR A 68 -8.363 10.402 -3.043 1.00 0.00 N ATOM 1039 CA THR A 68 -9.007 11.708 -2.981 1.00 0.00 C ATOM 1040 C THR A 68 -9.976 11.898 -4.142 1.00 0.00 C ATOM 1041 O THR A 68 -10.998 12.570 -4.006 1.00 0.00 O ATOM 1042 CB THR A 68 -7.971 12.847 -2.999 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.283 12.863 -4.255 1.00 0.00 O ATOM 1044 CG2 THR A 68 -6.967 12.683 -1.868 1.00 0.00 C ATOM 0 H THR A 68 -7.345 10.436 -3.100 1.00 0.00 H new ATOM 0 HA THR A 68 -9.558 11.744 -2.041 1.00 0.00 H new ATOM 0 HB THR A 68 -8.499 13.791 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.154 13.790 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.245 13.499 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.490 12.700 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.445 11.733 -1.980 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.648 11.303 -5.284 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.491 11.405 -6.469 1.00 0.00 C ATOM 1054 C ALA A 69 -11.242 10.103 -6.723 1.00 0.00 C ATOM 1055 O ALA A 69 -12.425 10.113 -7.060 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.653 11.779 -7.683 1.00 0.00 C ATOM 0 H ALA A 69 -8.804 10.745 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.227 12.190 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.296 11.852 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.168 12.739 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.895 11.014 -7.851 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.546 8.982 -6.559 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.147 7.671 -6.772 1.00 0.00 C ATOM 1064 C ASN A 70 -11.712 7.113 -5.469 1.00 0.00 C ATOM 1065 O ASN A 70 -11.019 7.060 -4.453 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.115 6.701 -7.350 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.668 7.095 -8.744 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.321 6.765 -9.734 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.549 7.805 -8.828 1.00 0.00 N ATOM 0 H ASN A 70 -9.565 8.956 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.965 7.786 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.248 6.662 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.539 5.697 -7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.199 8.099 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.040 8.056 -7.981 1.00 0.00 H new ATOM 1076 N ASP A 71 -12.974 6.699 -5.507 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.631 6.144 -4.330 1.00 0.00 C ATOM 1078 C ASP A 71 -13.377 4.643 -4.222 1.00 0.00 C ATOM 1079 O ASP A 71 -13.716 3.880 -5.127 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.136 6.415 -4.384 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.454 7.805 -4.899 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.499 8.746 -4.078 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -15.660 7.953 -6.122 1.00 0.00 O ATOM 0 H ASP A 71 -13.562 6.737 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.213 6.630 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.613 5.675 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.560 6.294 -3.387 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.777 4.229 -3.112 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.477 2.820 -2.886 1.00 0.00 C ATOM 1090 C ILE A 72 -13.751 2.021 -2.632 1.00 0.00 C ATOM 1091 O ILE A 72 -14.324 2.074 -1.544 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.520 2.632 -1.695 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.269 3.494 -1.876 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.143 1.166 -1.545 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.556 3.804 -0.579 1.00 0.00 C ATOM 0 H ILE A 72 -12.489 4.849 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.994 2.451 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.029 2.951 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.579 2.982 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.549 4.430 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.466 1.049 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.043 0.575 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.650 0.822 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.679 4.418 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.230 4.344 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.244 2.874 -0.104 1.00 0.00 H new ATOM 1107 N THR A 73 -14.188 1.277 -3.644 1.00 0.00 N ATOM 1108 CA THR A 73 -15.393 0.466 -3.531 1.00 0.00 C ATOM 1109 C THR A 73 -15.310 -0.478 -2.337 1.00 0.00 C ATOM 1110 O THR A 73 -16.315 -0.759 -1.685 1.00 0.00 O ATOM 1111 CB THR A 73 -15.636 -0.361 -4.808 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.519 -1.223 -5.053 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.854 0.548 -6.008 1.00 0.00 C ATOM 0 H THR A 73 -13.725 1.220 -4.551 1.00 0.00 H new ATOM 0 HA THR A 73 -16.225 1.155 -3.389 1.00 0.00 H new ATOM 0 HB THR A 73 -16.533 -0.962 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.682 -1.746 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.023 -0.058 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.722 1.183 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.973 1.172 -6.157 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.106 -0.964 -2.055 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.893 -1.877 -0.938 1.00 0.00 C ATOM 1123 C ASN A 74 -14.368 -1.255 0.371 1.00 0.00 C ATOM 1124 O ASN A 74 -14.722 -0.077 0.418 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.412 -2.248 -0.831 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.067 -3.487 -1.635 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.539 -3.283 -2.837 1.00 0.00 O flip ATOM 1128 ND2 ASN A 74 -12.272 -4.612 -1.181 1.00 0.00 N flip ATOM 0 H ASN A 74 -13.263 -0.741 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.475 -2.780 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.805 -1.412 -1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.157 -2.414 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.680 -4.721 -0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.034 -5.436 -1.733 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.373 -2.054 1.432 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.803 -1.583 2.743 1.00 0.00 C ATOM 1137 C ASP A 75 -13.660 -1.658 3.750 1.00 0.00 C ATOM 1138 O ASP A 75 -13.588 -0.858 4.682 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.992 -2.406 3.241 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.796 -1.681 4.302 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -16.207 -1.300 5.335 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.014 -1.494 4.100 1.00 0.00 O ATOM 0 H ASP A 75 -14.084 -3.032 1.410 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.108 -0.541 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.641 -2.647 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.631 -3.351 3.646 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.769 -2.625 3.556 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.630 -2.806 4.448 1.00 0.00 C ATOM 1149 C GLN A 76 -10.586 -1.717 4.225 1.00 0.00 C ATOM 1150 O GLN A 76 -9.912 -1.288 5.162 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.001 -4.184 4.234 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.971 -5.335 4.449 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.751 -5.681 3.196 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.977 -5.566 3.163 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.044 -6.109 2.157 1.00 0.00 N ATOM 0 H GLN A 76 -12.814 -3.295 2.789 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.990 -2.735 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.603 -4.239 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.157 -4.299 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.419 -6.213 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.668 -5.074 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.030 -6.189 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.515 -6.358 1.287 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.458 -1.274 2.980 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.493 -0.237 2.633 1.00 0.00 C ATOM 1166 C TYR A 77 -10.023 1.145 3.004 1.00 0.00 C ATOM 1167 O TYR A 77 -10.848 1.719 2.293 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.172 -0.288 1.138 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.380 -1.509 0.730 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.951 -2.775 0.763 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.060 -1.397 0.311 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.231 -3.894 0.392 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.332 -2.510 -0.063 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.922 -3.756 -0.020 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.201 -4.868 -0.392 1.00 0.00 O ATOM 0 H TYR A 77 -11.010 -1.616 2.194 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.580 -0.421 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.104 -0.265 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.612 0.606 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.976 -2.886 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.595 -0.423 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.690 -4.871 0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.307 -2.405 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.777 -5.660 -0.351 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.540 1.676 4.123 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.962 2.991 4.590 1.00 0.00 C ATOM 1187 C LYS A 78 -8.779 3.953 4.644 1.00 0.00 C ATOM 1188 O LYS A 78 -7.772 3.679 5.296 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.607 2.881 5.974 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.108 2.655 5.929 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.722 2.709 7.317 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.013 4.140 7.742 1.00 0.00 C ATOM 1193 NZ LYS A 78 -11.835 4.776 8.395 1.00 0.00 N ATOM 0 H LYS A 78 -8.856 1.215 4.723 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.695 3.382 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.141 2.060 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.402 3.793 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.572 3.411 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.318 1.686 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.645 2.129 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.044 2.246 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.305 4.725 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.859 4.150 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.159 5.416 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.226 4.040 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.297 5.317 7.689 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.910 5.083 3.955 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.853 6.087 3.927 1.00 0.00 C ATOM 1209 C VAL A 79 -8.127 7.201 4.932 1.00 0.00 C ATOM 1210 O VAL A 79 -8.740 8.214 4.598 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.702 6.703 2.523 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.619 7.771 2.522 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.397 5.622 1.498 1.00 0.00 C ATOM 0 H VAL A 79 -9.737 5.325 3.409 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.926 5.580 4.195 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.645 7.176 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.527 8.195 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.884 8.559 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.669 7.326 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.293 6.075 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.468 5.119 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.211 4.897 1.481 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.666 7.005 6.163 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.861 7.994 7.217 1.00 0.00 C ATOM 1225 C GLU A 80 -7.015 9.237 6.960 1.00 0.00 C ATOM 1226 O GLU A 80 -7.450 10.361 7.211 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.508 7.396 8.580 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.433 6.269 9.008 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.356 5.984 10.496 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.219 6.947 11.278 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -8.434 4.797 10.877 1.00 0.00 O ATOM 0 H GLU A 80 -7.156 6.172 6.455 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.912 8.285 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.484 7.023 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.538 8.184 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.459 6.526 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.178 5.365 8.455 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.801 9.027 6.459 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.912 10.139 6.177 1.00 0.00 C ATOM 1240 C GLY A 81 -4.025 9.881 4.976 1.00 0.00 C ATOM 1241 O GLY A 81 -4.341 9.045 4.129 1.00 0.00 O ATOM 0 H GLY A 81 -5.418 8.107 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.503 11.038 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.289 10.333 7.050 1.00 0.00 H new ATOM 1245 N PHE A 82 -2.912 10.603 4.899 1.00 0.00 N ATOM 1246 CA PHE A 82 -1.977 10.451 3.790 1.00 0.00 C ATOM 1247 C PHE A 82 -0.556 10.798 4.224 1.00 0.00 C ATOM 1248 O PHE A 82 -0.331 11.689 5.044 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.395 11.339 2.616 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.793 11.076 2.134 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.047 10.062 1.225 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.853 11.842 2.590 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -5.332 9.818 0.779 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -6.141 11.603 2.148 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.381 10.589 1.242 1.00 0.00 C ATOM 0 H PHE A 82 -2.635 11.299 5.591 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.997 9.408 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.313 12.384 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.700 11.187 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.231 9.455 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.671 12.636 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.516 9.025 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.958 12.209 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.386 10.399 0.896 1.00 0.00 H new ATOM 1265 N PRO A 83 0.427 10.079 3.663 1.00 0.00 N ATOM 1266 CA PRO A 83 0.171 9.016 2.686 1.00 0.00 C ATOM 1267 C PRO A 83 -0.494 7.797 3.316 1.00 0.00 C ATOM 1268 O PRO A 83 -0.720 7.756 4.526 1.00 0.00 O ATOM 1269 CB PRO A 83 1.569 8.659 2.176 1.00 0.00 C ATOM 1270 CG PRO A 83 2.487 9.045 3.285 1.00 0.00 C ATOM 1271 CD PRO A 83 1.864 10.248 3.938 1.00 0.00 C ATOM 0 HA PRO A 83 -0.514 9.339 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.648 7.596 1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.806 9.199 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.602 8.229 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.482 9.278 2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.068 10.275 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.247 11.177 3.517 1.00 0.00 H new ATOM 1279 N THR A 84 -0.806 6.805 2.489 1.00 0.00 N ATOM 1280 CA THR A 84 -1.445 5.585 2.965 1.00 0.00 C ATOM 1281 C THR A 84 -1.137 4.408 2.047 1.00 0.00 C ATOM 1282 O THR A 84 -1.642 4.333 0.927 1.00 0.00 O ATOM 1283 CB THR A 84 -2.973 5.755 3.067 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.287 6.839 3.948 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.627 4.478 3.573 1.00 0.00 C ATOM 0 H THR A 84 -0.626 6.823 1.485 1.00 0.00 H new ATOM 0 HA THR A 84 -1.041 5.383 3.957 1.00 0.00 H new ATOM 0 HB THR A 84 -3.360 5.972 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.493 7.639 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.706 4.622 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.410 3.661 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.235 4.235 4.560 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.305 3.490 2.529 1.00 0.00 N ATOM 1294 CA ILE A 85 0.069 2.315 1.751 1.00 0.00 C ATOM 1295 C ILE A 85 -0.705 1.084 2.209 1.00 0.00 C ATOM 1296 O ILE A 85 -1.027 0.943 3.389 1.00 0.00 O ATOM 1297 CB ILE A 85 1.578 2.028 1.856 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.385 3.240 1.385 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.940 0.795 1.042 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.725 3.378 2.071 1.00 0.00 C ATOM 0 H ILE A 85 0.122 3.537 3.454 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.180 2.531 0.712 1.00 0.00 H new ATOM 0 HB ILE A 85 1.824 1.836 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.543 3.165 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.802 4.144 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.010 0.605 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.388 -0.065 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.682 0.961 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.241 4.258 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.575 3.485 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.327 2.491 1.876 1.00 0.00 H new ATOM 1312 N TYR A 86 -0.999 0.193 1.269 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.735 -1.027 1.575 1.00 0.00 C ATOM 1314 C TYR A 86 -1.232 -2.194 0.731 1.00 0.00 C ATOM 1315 O TYR A 86 -1.066 -2.072 -0.483 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.232 -0.819 1.335 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.967 -0.270 2.537 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.201 -1.063 3.654 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.428 1.040 2.556 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.873 -0.567 4.754 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.099 1.546 3.653 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.320 0.738 4.749 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.989 1.238 5.843 1.00 0.00 O ATOM 0 H TYR A 86 -0.738 0.293 0.288 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.571 -1.265 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.366 -0.137 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.681 -1.770 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.851 -2.085 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.259 1.674 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.048 -1.197 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.448 2.568 3.652 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.527 2.011 5.572 1.00 0.00 H new ATOM 1333 N PHE A 87 -0.990 -3.327 1.383 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.505 -4.517 0.695 1.00 0.00 C ATOM 1335 C PHE A 87 -1.634 -5.522 0.484 1.00 0.00 C ATOM 1336 O PHE A 87 -2.189 -6.058 1.442 1.00 0.00 O ATOM 1337 CB PHE A 87 0.628 -5.166 1.491 1.00 0.00 C ATOM 1338 CG PHE A 87 1.358 -6.237 0.731 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.755 -7.458 0.477 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.647 -6.023 0.272 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.423 -8.445 -0.222 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.321 -7.006 -0.428 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.708 -8.219 -0.674 1.00 0.00 C ATOM 0 H PHE A 87 -1.122 -3.445 2.387 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.126 -4.213 -0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.339 -4.396 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.219 -5.595 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.249 -7.641 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.131 -5.077 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.941 -9.392 -0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.325 -6.826 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.233 -8.990 -1.219 1.00 0.00 H new ATOM 1353 N ALA A 88 -1.969 -5.770 -0.778 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.031 -6.710 -1.116 1.00 0.00 C ATOM 1355 C ALA A 88 -2.455 -8.041 -1.587 1.00 0.00 C ATOM 1356 O ALA A 88 -2.100 -8.214 -2.753 1.00 0.00 O ATOM 1357 CB ALA A 88 -3.940 -6.119 -2.183 1.00 0.00 C ATOM 0 H ALA A 88 -1.520 -5.333 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.618 -6.895 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.728 -6.832 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.387 -5.197 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.357 -5.904 -3.079 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.358 -9.006 -0.660 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.826 -10.339 -0.958 1.00 0.00 C ATOM 1365 C PRO A 89 -2.761 -11.152 -1.848 1.00 0.00 C ATOM 1366 O PRO A 89 -3.903 -11.424 -1.479 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.703 -10.989 0.422 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.709 -10.283 1.264 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.762 -8.871 0.749 1.00 0.00 C ATOM 0 HA PRO A 89 -0.885 -10.288 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.907 -12.059 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.697 -10.873 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.685 -10.762 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.422 -10.304 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.762 -8.447 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.086 -8.217 1.300 1.00 0.00 H new ATOM 1377 N SER A 90 -2.268 -11.536 -3.021 1.00 0.00 N ATOM 1378 CA SER A 90 -3.061 -12.314 -3.965 1.00 0.00 C ATOM 1379 C SER A 90 -3.750 -13.481 -3.264 1.00 0.00 C ATOM 1380 O SER A 90 -3.116 -14.481 -2.931 1.00 0.00 O ATOM 1381 CB SER A 90 -2.176 -12.837 -5.098 1.00 0.00 C ATOM 1382 OG SER A 90 -1.332 -13.881 -4.646 1.00 0.00 O ATOM 0 H SER A 90 -1.323 -11.321 -3.340 1.00 0.00 H new ATOM 0 HA SER A 90 -3.826 -11.660 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.801 -13.198 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.571 -12.023 -5.496 1.00 0.00 H new ATOM 0 HG SER A 90 -1.699 -14.265 -3.823 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.054 -13.343 -3.042 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.809 -14.392 -2.381 1.00 0.00 C ATOM 1390 C GLY A 91 -6.452 -13.920 -1.092 1.00 0.00 C ATOM 1391 O GLY A 91 -7.654 -14.091 -0.892 1.00 0.00 O ATOM 0 H GLY A 91 -5.601 -12.524 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.582 -14.759 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.148 -15.232 -2.167 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.650 -13.326 -0.216 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.147 -12.828 1.061 1.00 0.00 C ATOM 1397 C ASP A 92 -6.264 -11.307 1.043 1.00 0.00 C ATOM 1398 O ASP A 92 -5.985 -10.640 2.039 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.224 -13.267 2.199 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.156 -14.775 2.339 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.145 -15.449 1.983 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -4.114 -15.281 2.806 1.00 0.00 O ATOM 0 H ASP A 92 -4.652 -13.177 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.139 -13.249 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.222 -12.876 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.575 -12.833 3.135 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.677 -10.764 -0.098 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.832 -9.322 -0.247 1.00 0.00 C ATOM 1409 C LYS A 93 -7.934 -8.795 0.666 1.00 0.00 C ATOM 1410 O LYS A 93 -7.831 -7.695 1.210 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.149 -8.970 -1.702 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.293 -9.718 -2.710 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.049 -8.888 -3.959 1.00 0.00 C ATOM 1414 CE LYS A 93 -4.704 -9.214 -4.591 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.143 -8.050 -5.331 1.00 0.00 N ATOM 0 H LYS A 93 -6.910 -11.301 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.892 -8.850 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.199 -9.186 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.012 -7.898 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.338 -9.980 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.783 -10.652 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.845 -9.072 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.086 -7.828 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.003 -9.523 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.818 -10.057 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.998 -8.309 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.806 -7.250 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.233 -7.776 -4.909 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.987 -9.587 0.833 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.108 -9.203 1.683 1.00 0.00 C ATOM 1431 C LYS A 94 -9.619 -8.478 2.933 1.00 0.00 C ATOM 1432 O LYS A 94 -10.341 -7.671 3.516 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.920 -10.437 2.081 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.521 -11.177 0.898 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.618 -10.365 0.231 1.00 0.00 C ATOM 1436 CE LYS A 94 -13.900 -10.383 1.050 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.994 -9.622 0.385 1.00 0.00 N ATOM 0 H LYS A 94 -9.088 -10.500 0.390 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.745 -8.524 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.278 -11.120 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.722 -10.133 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.739 -11.400 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.926 -12.132 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.283 -9.336 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.815 -10.765 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.217 -11.414 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.708 -9.957 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.850 -9.658 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.702 -8.632 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.195 -10.044 -0.544 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.387 -8.771 3.338 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.802 -8.147 4.518 1.00 0.00 C ATOM 1453 C ASN A 95 -6.579 -7.315 4.144 1.00 0.00 C ATOM 1454 O ASN A 95 -5.475 -7.832 3.971 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.413 -9.212 5.545 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.592 -9.663 6.386 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.350 -8.842 6.902 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.751 -10.974 6.527 1.00 0.00 N ATOM 0 H ASN A 95 -7.775 -9.437 2.866 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.550 -7.486 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.988 -10.073 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.635 -8.816 6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.526 -11.337 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.098 -11.618 6.081 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.778 -5.995 4.016 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.703 -5.063 3.662 1.00 0.00 C ATOM 1467 C PRO A 96 -4.684 -4.900 4.784 1.00 0.00 C ATOM 1468 O PRO A 96 -5.032 -4.957 5.964 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.442 -3.746 3.415 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.690 -3.854 4.222 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.067 -5.310 4.207 1.00 0.00 C ATOM 0 HA PRO A 96 -5.128 -5.412 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.842 -2.891 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.665 -3.610 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.527 -3.503 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.484 -3.241 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.547 -5.610 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.765 -5.536 3.401 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.426 -4.696 4.410 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.357 -4.523 5.386 1.00 0.00 C ATOM 1481 C ILE A 97 -1.769 -3.118 5.314 1.00 0.00 C ATOM 1482 O ILE A 97 -0.991 -2.804 4.413 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.230 -5.551 5.175 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.789 -6.974 5.236 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.138 -5.360 6.217 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.874 -8.009 4.621 1.00 0.00 C ATOM 0 H ILE A 97 -3.121 -4.646 3.438 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.800 -4.679 6.370 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.795 -5.394 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.975 -7.238 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.751 -7.000 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.652 -6.094 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.276 -4.356 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.559 -5.494 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.334 -8.994 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.707 -7.769 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.080 -8.011 5.149 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.144 -2.276 6.271 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.652 -0.904 6.319 1.00 0.00 C ATOM 1500 C LYS A 98 -0.261 -0.846 6.943 1.00 0.00 C ATOM 1501 O LYS A 98 -0.029 -1.398 8.018 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.617 -0.022 7.116 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.190 1.433 7.191 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.388 2.361 7.297 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.977 3.753 7.753 1.00 0.00 C ATOM 1506 NZ LYS A 98 -4.105 4.480 8.398 1.00 0.00 N ATOM 0 H LYS A 98 -2.787 -2.520 7.024 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.588 -0.531 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.607 -0.079 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.707 -0.418 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.539 1.578 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.608 1.688 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.886 2.426 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.110 1.945 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.147 3.675 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.618 4.325 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.785 5.424 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.888 4.577 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.431 3.948 9.230 1.00 0.00 H new ATOM 1520 N PHE A 99 0.660 -0.174 6.261 1.00 0.00 N ATOM 1521 CA PHE A 99 2.029 -0.044 6.749 1.00 0.00 C ATOM 1522 C PHE A 99 2.094 0.909 7.939 1.00 0.00 C ATOM 1523 O PHE A 99 2.036 2.127 7.775 1.00 0.00 O ATOM 1524 CB PHE A 99 2.946 0.456 5.630 1.00 0.00 C ATOM 1525 CG PHE A 99 4.323 0.822 6.104 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.312 -0.142 6.211 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.629 2.131 6.441 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.581 0.192 6.646 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.896 2.470 6.876 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.873 1.500 6.980 1.00 0.00 C ATOM 0 H PHE A 99 0.484 0.289 5.369 1.00 0.00 H new ATOM 0 HA PHE A 99 2.367 -1.028 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.027 -0.316 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.489 1.326 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.089 -1.166 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.869 2.894 6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.343 -0.569 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.122 3.494 7.135 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.863 1.763 7.322 1.00 0.00 H new ATOM 1540 N GLU A 100 2.213 0.343 9.136 1.00 0.00 N ATOM 1541 CA GLU A 100 2.284 1.142 10.354 1.00 0.00 C ATOM 1542 C GLU A 100 3.734 1.453 10.717 1.00 0.00 C ATOM 1543 O GLU A 100 4.484 0.570 11.132 1.00 0.00 O ATOM 1544 CB GLU A 100 1.603 0.410 11.511 1.00 0.00 C ATOM 1545 CG GLU A 100 0.085 0.438 11.441 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.565 0.268 12.800 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.057 0.852 13.779 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.583 -0.451 12.883 1.00 0.00 O ATOM 0 H GLU A 100 2.262 -0.664 9.288 1.00 0.00 H new ATOM 0 HA GLU A 100 1.763 2.082 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.939 -0.627 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.923 0.858 12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.237 1.383 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.259 -0.354 10.776 1.00 0.00 H new ATOM 1583 N ARG A 104 8.300 6.685 6.862 1.00 0.00 N ATOM 1584 CA ARG A 104 7.910 6.074 5.598 1.00 0.00 C ATOM 1585 C ARG A 104 8.983 6.291 4.535 1.00 0.00 C ATOM 1586 O ARG A 104 8.861 7.176 3.687 1.00 0.00 O ATOM 1587 CB ARG A 104 6.577 6.651 5.117 1.00 0.00 C ATOM 1588 CG ARG A 104 5.363 5.931 5.681 1.00 0.00 C ATOM 1589 CD ARG A 104 4.067 6.570 5.209 1.00 0.00 C ATOM 1590 NE ARG A 104 3.000 6.440 6.198 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.205 5.379 6.286 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.356 4.361 5.450 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.257 5.335 7.213 1.00 0.00 N ATOM 0 HA ARG A 104 7.796 5.002 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.525 7.704 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.543 6.606 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.386 4.884 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.402 5.947 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.239 7.625 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.753 6.105 4.274 1.00 0.00 H new ATOM 0 HE ARG A 104 2.857 7.205 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.084 4.391 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.744 3.548 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.138 6.116 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.647 4.520 7.280 1.00 0.00 H new ATOM 1607 N ASP A 105 10.033 5.480 4.587 1.00 0.00 N ATOM 1608 CA ASP A 105 11.128 5.583 3.629 1.00 0.00 C ATOM 1609 C ASP A 105 11.258 4.300 2.813 1.00 0.00 C ATOM 1610 O ASP A 105 10.489 3.356 2.995 1.00 0.00 O ATOM 1611 CB ASP A 105 12.442 5.878 4.353 1.00 0.00 C ATOM 1612 CG ASP A 105 13.496 6.456 3.429 1.00 0.00 C ATOM 1613 OD1 ASP A 105 13.375 7.643 3.061 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.441 5.721 3.073 1.00 0.00 O ATOM 0 H ASP A 105 10.150 4.743 5.283 1.00 0.00 H new ATOM 0 HA ASP A 105 10.906 6.405 2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.255 6.577 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.820 4.959 4.801 1.00 0.00 H new ATOM 1619 N LEU A 106 12.236 4.274 1.914 1.00 0.00 N ATOM 1620 CA LEU A 106 12.467 3.108 1.069 1.00 0.00 C ATOM 1621 C LEU A 106 13.020 1.944 1.886 1.00 0.00 C ATOM 1622 O LEU A 106 12.770 0.781 1.574 1.00 0.00 O ATOM 1623 CB LEU A 106 13.436 3.457 -0.062 1.00 0.00 C ATOM 1624 CG LEU A 106 13.224 2.713 -1.381 1.00 0.00 C ATOM 1625 CD1 LEU A 106 14.081 3.321 -2.481 1.00 0.00 C ATOM 1626 CD2 LEU A 106 13.537 1.233 -1.215 1.00 0.00 C ATOM 0 H LEU A 106 12.881 5.047 1.752 1.00 0.00 H new ATOM 0 HA LEU A 106 11.511 2.806 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.366 4.527 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.451 3.262 0.283 1.00 0.00 H new ATOM 0 HG LEU A 106 12.177 2.813 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.917 2.778 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.809 4.367 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 106 15.133 3.253 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.381 0.719 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.575 1.113 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.880 0.805 -0.458 1.00 0.00 H new ATOM 1638 N GLU A 107 13.771 2.268 2.935 1.00 0.00 N ATOM 1639 CA GLU A 107 14.357 1.249 3.797 1.00 0.00 C ATOM 1640 C GLU A 107 13.304 0.648 4.723 1.00 0.00 C ATOM 1641 O GLU A 107 13.304 -0.556 4.983 1.00 0.00 O ATOM 1642 CB GLU A 107 15.499 1.845 4.624 1.00 0.00 C ATOM 1643 CG GLU A 107 16.581 0.840 4.980 1.00 0.00 C ATOM 1644 CD GLU A 107 16.016 -0.506 5.389 1.00 0.00 C ATOM 1645 OE1 GLU A 107 15.554 -1.250 4.499 1.00 0.00 O ATOM 1646 OE2 GLU A 107 16.035 -0.816 6.599 1.00 0.00 O ATOM 0 H GLU A 107 13.987 3.227 3.207 1.00 0.00 H new ATOM 0 HA GLU A 107 14.752 0.456 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.948 2.668 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.090 2.266 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.243 0.707 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.187 1.238 5.794 1.00 0.00 H new ATOM 1653 N HIS A 108 12.407 1.495 5.219 1.00 0.00 N ATOM 1654 CA HIS A 108 11.348 1.048 6.116 1.00 0.00 C ATOM 1655 C HIS A 108 10.253 0.318 5.343 1.00 0.00 C ATOM 1656 O HIS A 108 9.717 -0.689 5.807 1.00 0.00 O ATOM 1657 CB HIS A 108 10.751 2.238 6.867 1.00 0.00 C ATOM 1658 CG HIS A 108 11.737 2.952 7.739 1.00 0.00 C ATOM 1659 ND1 HIS A 108 12.185 4.230 7.478 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.362 2.561 8.874 1.00 0.00 C ATOM 1661 CE1 HIS A 108 13.043 4.593 8.414 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.168 3.598 9.274 1.00 0.00 N ATOM 0 H HIS A 108 12.393 2.494 5.015 1.00 0.00 H new ATOM 0 HA HIS A 108 11.784 0.355 6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.340 2.943 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.921 1.890 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.248 1.610 9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.555 5.542 8.467 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.766 3.600 10.100 1.00 0.00 H new ATOM 1671 N LEU A 109 9.926 0.833 4.163 1.00 0.00 N ATOM 1672 CA LEU A 109 8.894 0.230 3.325 1.00 0.00 C ATOM 1673 C LEU A 109 9.315 -1.159 2.858 1.00 0.00 C ATOM 1674 O LEU A 109 8.566 -2.126 2.999 1.00 0.00 O ATOM 1675 CB LEU A 109 8.606 1.122 2.116 1.00 0.00 C ATOM 1676 CG LEU A 109 7.836 2.412 2.402 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.788 3.291 1.162 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.430 2.097 2.890 1.00 0.00 C ATOM 0 H LEU A 109 10.360 1.666 3.765 1.00 0.00 H new ATOM 0 HA LEU A 109 7.987 0.133 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.555 1.385 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.043 0.540 1.386 1.00 0.00 H new ATOM 0 HG LEU A 109 8.358 2.957 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.236 4.204 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.803 3.546 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.290 2.754 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.897 3.027 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.898 1.530 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.486 1.508 3.806 1.00 0.00 H new ATOM 1690 N SER A 110 10.519 -1.252 2.303 1.00 0.00 N ATOM 1691 CA SER A 110 11.040 -2.523 1.813 1.00 0.00 C ATOM 1692 C SER A 110 10.972 -3.592 2.899 1.00 0.00 C ATOM 1693 O SER A 110 10.598 -4.736 2.638 1.00 0.00 O ATOM 1694 CB SER A 110 12.483 -2.357 1.334 1.00 0.00 C ATOM 1695 OG SER A 110 13.250 -1.620 2.272 1.00 0.00 O ATOM 0 H SER A 110 11.153 -0.462 2.181 1.00 0.00 H new ATOM 0 HA SER A 110 10.422 -2.842 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.934 -3.338 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.493 -1.848 0.370 1.00 0.00 H new ATOM 0 HG SER A 110 13.463 -0.739 1.900 1.00 0.00 H new ATOM 1701 N LYS A 111 11.336 -3.212 4.118 1.00 0.00 N ATOM 1702 CA LYS A 111 11.316 -4.136 5.246 1.00 0.00 C ATOM 1703 C LYS A 111 9.901 -4.636 5.515 1.00 0.00 C ATOM 1704 O LYS A 111 9.705 -5.627 6.219 1.00 0.00 O ATOM 1705 CB LYS A 111 11.874 -3.456 6.499 1.00 0.00 C ATOM 1706 CG LYS A 111 13.392 -3.434 6.554 1.00 0.00 C ATOM 1707 CD LYS A 111 13.893 -2.955 7.906 1.00 0.00 C ATOM 1708 CE LYS A 111 13.352 -1.575 8.245 1.00 0.00 C ATOM 1709 NZ LYS A 111 13.938 -1.042 9.506 1.00 0.00 N ATOM 0 H LYS A 111 11.649 -2.270 4.351 1.00 0.00 H new ATOM 0 HA LYS A 111 11.943 -4.991 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.502 -2.432 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.494 -3.971 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.779 -4.433 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.776 -2.781 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.593 -3.664 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.983 -2.929 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.569 -0.889 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.267 -1.624 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.543 -0.100 9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.710 -1.683 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.971 -0.971 9.406 1.00 0.00 H new ATOM 1723 N PHE A 112 8.916 -3.946 4.949 1.00 0.00 N ATOM 1724 CA PHE A 112 7.518 -4.321 5.127 1.00 0.00 C ATOM 1725 C PHE A 112 7.040 -5.199 3.974 1.00 0.00 C ATOM 1726 O PHE A 112 6.354 -6.200 4.185 1.00 0.00 O ATOM 1727 CB PHE A 112 6.642 -3.071 5.229 1.00 0.00 C ATOM 1728 CG PHE A 112 5.198 -3.324 4.902 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.769 -3.370 3.585 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.268 -3.516 5.912 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.441 -3.601 3.282 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.939 -3.748 5.615 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.525 -3.792 4.298 1.00 0.00 C ATOM 0 H PHE A 112 9.060 -3.124 4.363 1.00 0.00 H new ATOM 0 HA PHE A 112 7.435 -4.890 6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.713 -2.669 6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.031 -2.308 4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.481 -3.224 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.586 -3.484 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.119 -3.632 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.225 -3.895 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.487 -3.975 4.063 1.00 0.00 H new ATOM 1743 N ILE A 113 7.407 -4.817 2.755 1.00 0.00 N ATOM 1744 CA ILE A 113 7.016 -5.569 1.569 1.00 0.00 C ATOM 1745 C ILE A 113 7.439 -7.029 1.681 1.00 0.00 C ATOM 1746 O ILE A 113 6.602 -7.932 1.662 1.00 0.00 O ATOM 1747 CB ILE A 113 7.629 -4.964 0.292 1.00 0.00 C ATOM 1748 CG1 ILE A 113 7.042 -3.576 0.027 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.389 -5.883 -0.896 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.687 -2.861 -1.140 1.00 0.00 C ATOM 0 H ILE A 113 7.974 -3.991 2.563 1.00 0.00 H new ATOM 0 HA ILE A 113 5.930 -5.512 1.502 1.00 0.00 H new ATOM 0 HB ILE A 113 8.705 -4.861 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.973 -3.672 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.153 -2.966 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.828 -5.442 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.850 -6.852 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.317 -6.014 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.222 -1.884 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.752 -2.733 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.553 -3.450 -2.047 1.00 0.00 H new ATOM 1762 N ASP A 114 8.743 -7.255 1.798 1.00 0.00 N ATOM 1763 CA ASP A 114 9.278 -8.606 1.916 1.00 0.00 C ATOM 1764 C ASP A 114 8.479 -9.421 2.929 1.00 0.00 C ATOM 1765 O ASP A 114 7.893 -10.448 2.589 1.00 0.00 O ATOM 1766 CB ASP A 114 10.750 -8.561 2.327 1.00 0.00 C ATOM 1767 CG ASP A 114 11.644 -8.035 1.221 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.327 -8.276 0.037 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.660 -7.382 1.540 1.00 0.00 O ATOM 0 H ASP A 114 9.449 -6.519 1.814 1.00 0.00 H new ATOM 0 HA ASP A 114 9.195 -9.089 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.859 -7.930 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.076 -9.562 2.609 1.00 0.00 H new ATOM 1774 N GLU A 115 8.461 -8.955 4.173 1.00 0.00 N ATOM 1775 CA GLU A 115 7.735 -9.642 5.235 1.00 0.00 C ATOM 1776 C GLU A 115 6.432 -10.235 4.708 1.00 0.00 C ATOM 1777 O GLU A 115 6.235 -11.450 4.733 1.00 0.00 O ATOM 1778 CB GLU A 115 7.441 -8.679 6.388 1.00 0.00 C ATOM 1779 CG GLU A 115 8.598 -8.524 7.361 1.00 0.00 C ATOM 1780 CD GLU A 115 8.135 -8.220 8.773 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.421 -9.061 9.358 1.00 0.00 O ATOM 1782 OE2 GLU A 115 8.487 -7.140 9.292 1.00 0.00 O ATOM 0 H GLU A 115 8.940 -8.105 4.471 1.00 0.00 H new ATOM 0 HA GLU A 115 8.362 -10.455 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.188 -7.701 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.565 -9.033 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.189 -9.440 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.253 -7.723 7.017 1.00 0.00 H new ATOM 1789 N HIS A 116 5.544 -9.367 4.232 1.00 0.00 N ATOM 1790 CA HIS A 116 4.259 -9.804 3.698 1.00 0.00 C ATOM 1791 C HIS A 116 4.443 -10.549 2.380 1.00 0.00 C ATOM 1792 O HIS A 116 3.579 -11.323 1.967 1.00 0.00 O ATOM 1793 CB HIS A 116 3.333 -8.605 3.495 1.00 0.00 C ATOM 1794 CG HIS A 116 2.860 -7.989 4.776 1.00 0.00 C ATOM 1795 ND1 HIS A 116 1.978 -8.615 5.631 1.00 0.00 N ATOM 1796 CD2 HIS A 116 3.153 -6.797 5.346 1.00 0.00 C ATOM 1797 CE1 HIS A 116 1.748 -7.834 6.671 1.00 0.00 C ATOM 1798 NE2 HIS A 116 2.449 -6.725 6.523 1.00 0.00 N ATOM 0 H HIS A 116 5.691 -8.358 4.205 1.00 0.00 H new ATOM 0 HA HIS A 116 3.807 -10.485 4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.855 -7.849 2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.468 -8.919 2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.817 -6.043 4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.097 -8.064 7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.465 -5.942 7.177 1.00 0.00 H new