USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl -165:sc= 0 (180deg=-0.148) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 166:sc= -0.821 (180deg=-1.74!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.457 K(o=-0.46,f=-4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= -0.167 (180deg=-1.96!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 0.305 F(o=-0.57,f=0.3) USER MOD Single : A 40 TYR OH : rot 165:sc= -1.22 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0289 K(o=-0.029,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -1:sc= 0.804 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.431 X(o=-0.43,f=-0.59) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 67 SER OG : rot 130:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -46:sc= 1.22 USER MOD Single : A 86 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.33) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.698 -15.074 -3.962 1.00 0.00 N ATOM 60 CA GLY A 7 -5.608 -13.657 -3.655 1.00 0.00 C ATOM 61 C GLY A 7 -5.569 -12.821 -4.936 1.00 0.00 C ATOM 62 O GLY A 7 -5.962 -13.292 -6.002 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.462 -13.358 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.713 -13.465 -3.064 1.00 0.00 H new ATOM 66 N MET A 8 -5.091 -11.594 -4.789 1.00 0.00 N ATOM 67 CA MET A 8 -4.995 -10.687 -5.921 1.00 0.00 C ATOM 68 C MET A 8 -3.694 -9.884 -5.872 1.00 0.00 C ATOM 69 O MET A 8 -2.946 -9.965 -4.899 1.00 0.00 O ATOM 70 CB MET A 8 -6.187 -9.729 -5.910 1.00 0.00 C ATOM 71 CG MET A 8 -6.503 -9.263 -4.487 1.00 0.00 C ATOM 72 SD MET A 8 -6.905 -7.524 -4.490 1.00 0.00 S ATOM 73 CE MET A 8 -8.655 -7.610 -4.828 1.00 0.00 C ATOM 0 H MET A 8 -4.766 -11.206 -3.903 1.00 0.00 H new ATOM 0 HA MET A 8 -5.001 -11.278 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.970 -8.866 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.060 -10.224 -6.337 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.338 -9.837 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.647 -9.446 -3.837 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.017 -6.626 -5.126 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.836 -8.322 -5.633 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.183 -7.934 -3.931 1.00 0.00 H new ATOM 83 N THR A 9 -3.463 -9.127 -6.934 1.00 0.00 N ATOM 84 CA THR A 9 -2.265 -8.310 -7.025 1.00 0.00 C ATOM 85 C THR A 9 -2.635 -6.844 -7.260 1.00 0.00 C ATOM 86 O THR A 9 -3.034 -6.470 -8.362 1.00 0.00 O ATOM 87 CB THR A 9 -1.374 -8.895 -8.123 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.589 -9.874 -7.447 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.348 -7.888 -8.644 1.00 0.00 C ATOM 0 H THR A 9 -4.085 -9.062 -7.739 1.00 0.00 H new ATOM 0 HA THR A 9 -1.705 -8.326 -6.090 1.00 0.00 H new ATOM 0 HB THR A 9 -1.995 -9.239 -8.950 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.017 -10.305 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.258 -8.355 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.865 -7.023 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.296 -7.568 -7.825 1.00 0.00 H new ATOM 97 N VAL A 10 -2.490 -6.054 -6.207 1.00 0.00 N ATOM 98 CA VAL A 10 -2.804 -4.637 -6.285 1.00 0.00 C ATOM 99 C VAL A 10 -1.507 -3.838 -6.424 1.00 0.00 C ATOM 100 O VAL A 10 -0.604 -3.966 -5.599 1.00 0.00 O ATOM 101 CB VAL A 10 -3.638 -4.219 -5.072 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.987 -2.730 -5.134 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.900 -5.074 -4.952 1.00 0.00 C ATOM 0 H VAL A 10 -2.159 -6.368 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.410 -4.428 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.036 -4.385 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.580 -2.459 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.070 -2.142 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.560 -2.528 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.474 -4.756 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.507 -4.955 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.620 -6.121 -4.839 1.00 0.00 H new ATOM 113 N ARG A 11 -1.456 -3.031 -7.474 1.00 0.00 N ATOM 114 CA ARG A 11 -0.285 -2.212 -7.731 1.00 0.00 C ATOM 115 C ARG A 11 -0.491 -0.801 -7.175 1.00 0.00 C ATOM 116 O ARG A 11 -1.576 -0.235 -7.296 1.00 0.00 O ATOM 117 CB ARG A 11 0.007 -2.124 -9.231 1.00 0.00 C ATOM 118 CG ARG A 11 0.771 -3.358 -9.714 1.00 0.00 C ATOM 119 CD ARG A 11 0.164 -3.907 -11.007 1.00 0.00 C ATOM 120 NE ARG A 11 1.201 -3.982 -12.060 1.00 0.00 N ATOM 121 CZ ARG A 11 1.105 -4.746 -13.157 1.00 0.00 C ATOM 122 NH1 ARG A 11 0.018 -5.506 -13.350 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.095 -4.752 -14.059 1.00 0.00 N ATOM 0 H ARG A 11 -2.207 -2.927 -8.156 1.00 0.00 H new ATOM 0 HA ARG A 11 0.564 -2.682 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.929 -2.032 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.589 -1.227 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.817 -3.101 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.750 -4.128 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.258 -4.896 -10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.654 -3.266 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 11 2.042 -3.417 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.735 -5.503 -12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.056 -6.088 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.923 -4.175 -13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.021 -5.334 -14.894 1.00 0.00 H new ATOM 137 N VAL A 12 0.568 -0.274 -6.578 1.00 0.00 N ATOM 138 CA VAL A 12 0.516 1.059 -6.003 1.00 0.00 C ATOM 139 C VAL A 12 1.191 2.047 -6.957 1.00 0.00 C ATOM 140 O VAL A 12 2.355 1.874 -7.314 1.00 0.00 O ATOM 141 CB VAL A 12 1.143 1.052 -4.607 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.653 2.444 -4.228 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.154 0.527 -3.565 1.00 0.00 C ATOM 0 H VAL A 12 1.467 -0.746 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.518 1.381 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 12 1.998 0.377 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.094 2.411 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.407 2.764 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.823 3.150 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.624 0.532 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.730 1.165 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.139 -0.491 -3.822 1.00 0.00 H new ATOM 153 N CYS A 13 0.431 3.062 -7.341 1.00 0.00 N ATOM 154 CA CYS A 13 0.941 4.078 -8.246 1.00 0.00 C ATOM 155 C CYS A 13 1.585 5.186 -7.411 1.00 0.00 C ATOM 156 O CYS A 13 0.952 6.202 -7.127 1.00 0.00 O ATOM 157 CB CYS A 13 -0.156 4.620 -9.164 1.00 0.00 C ATOM 158 SG CYS A 13 0.561 5.112 -10.774 1.00 0.00 S ATOM 0 H CYS A 13 -0.534 3.203 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 13 1.690 3.639 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.923 3.861 -9.315 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.643 5.476 -8.697 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.380 5.569 -11.547 1.00 0.00 H new ATOM 164 N LYS A 14 2.835 4.953 -7.040 1.00 0.00 N ATOM 165 CA LYS A 14 3.572 5.919 -6.242 1.00 0.00 C ATOM 166 C LYS A 14 3.322 7.325 -6.792 1.00 0.00 C ATOM 167 O LYS A 14 2.496 8.065 -6.260 1.00 0.00 O ATOM 168 CB LYS A 14 5.053 5.540 -6.175 1.00 0.00 C ATOM 169 CG LYS A 14 5.553 5.537 -4.729 1.00 0.00 C ATOM 170 CD LYS A 14 6.514 6.701 -4.479 1.00 0.00 C ATOM 171 CE LYS A 14 7.928 6.355 -4.949 1.00 0.00 C ATOM 172 NZ LYS A 14 8.924 7.213 -4.270 1.00 0.00 N ATOM 0 H LYS A 14 3.357 4.109 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 14 3.217 5.911 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.200 4.554 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.639 6.244 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.705 5.608 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.056 4.594 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.160 7.589 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.529 6.943 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.140 5.306 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.001 6.487 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.878 6.965 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.730 8.211 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.865 7.067 -3.242 1.00 0.00 H new ATOM 237 N VAL A 19 6.009 1.255 -9.248 1.00 0.00 N ATOM 238 CA VAL A 19 4.823 0.503 -8.874 1.00 0.00 C ATOM 239 C VAL A 19 5.234 -0.700 -8.023 1.00 0.00 C ATOM 240 O VAL A 19 6.269 -1.317 -8.271 1.00 0.00 O ATOM 241 CB VAL A 19 4.038 0.108 -10.127 1.00 0.00 C ATOM 242 CG1 VAL A 19 3.014 -0.984 -9.811 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.363 1.327 -10.757 1.00 0.00 C ATOM 0 HA VAL A 19 4.157 1.117 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 19 4.745 -0.296 -10.852 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.470 -1.246 -10.718 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.529 -1.866 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.313 -0.619 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.812 1.019 -11.646 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.674 1.773 -10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.121 2.059 -11.036 1.00 0.00 H new ATOM 253 N MET A 20 4.402 -0.998 -7.036 1.00 0.00 N ATOM 254 CA MET A 20 4.666 -2.116 -6.146 1.00 0.00 C ATOM 255 C MET A 20 3.485 -3.088 -6.122 1.00 0.00 C ATOM 256 O MET A 20 2.362 -2.699 -5.802 1.00 0.00 O ATOM 257 CB MET A 20 4.926 -1.592 -4.732 1.00 0.00 C ATOM 258 CG MET A 20 6.426 -1.449 -4.467 1.00 0.00 C ATOM 259 SD MET A 20 6.700 -0.365 -3.076 1.00 0.00 S ATOM 260 CE MET A 20 5.260 -0.752 -2.094 1.00 0.00 C ATOM 0 H MET A 20 3.544 -0.485 -6.833 1.00 0.00 H new ATOM 0 HA MET A 20 5.543 -2.649 -6.512 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.437 -0.627 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.487 -2.272 -4.002 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.863 -2.427 -4.268 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.924 -1.052 -5.352 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.390 -0.358 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.378 -0.301 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.132 -1.833 -2.047 1.00 0.00 H new ATOM 270 N PRO A 21 3.785 -4.367 -6.473 1.00 0.00 N ATOM 271 CA PRO A 21 2.762 -5.397 -6.494 1.00 0.00 C ATOM 272 C PRO A 21 2.396 -5.837 -5.075 1.00 0.00 C ATOM 273 O PRO A 21 3.188 -6.493 -4.401 1.00 0.00 O ATOM 274 CB PRO A 21 3.352 -6.521 -7.330 1.00 0.00 C ATOM 275 CG PRO A 21 4.852 -6.277 -7.356 1.00 0.00 C ATOM 276 CD PRO A 21 5.103 -4.864 -6.857 1.00 0.00 C ATOM 0 HA PRO A 21 1.824 -5.048 -6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.122 -7.494 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.938 -6.517 -8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.368 -7.002 -6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.241 -6.400 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.790 -4.859 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.549 -4.243 -7.634 1.00 0.00 H new ATOM 284 N VAL A 22 1.195 -5.457 -4.663 1.00 0.00 N ATOM 285 CA VAL A 22 0.714 -5.804 -3.337 1.00 0.00 C ATOM 286 C VAL A 22 -0.290 -6.952 -3.446 1.00 0.00 C ATOM 287 O VAL A 22 -0.980 -7.084 -4.456 1.00 0.00 O ATOM 288 CB VAL A 22 0.134 -4.565 -2.650 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.438 -4.918 -1.276 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.183 -3.457 -2.540 1.00 0.00 C ATOM 0 H VAL A 22 0.541 -4.912 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 22 1.537 -6.151 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.683 -4.191 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.844 -4.020 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.231 -5.657 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.352 -5.328 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.745 -2.589 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.031 -3.815 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.522 -3.177 -3.537 1.00 0.00 H new ATOM 300 N VAL A 23 -0.340 -7.755 -2.393 1.00 0.00 N ATOM 301 CA VAL A 23 -1.249 -8.888 -2.359 1.00 0.00 C ATOM 302 C VAL A 23 -2.214 -8.727 -1.182 1.00 0.00 C ATOM 303 O VAL A 23 -1.834 -8.219 -0.129 1.00 0.00 O ATOM 304 CB VAL A 23 -0.454 -10.195 -2.306 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.368 -10.284 -1.019 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.379 -11.405 -2.452 1.00 0.00 C ATOM 0 H VAL A 23 0.234 -7.643 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.849 -8.924 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 23 0.239 -10.201 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.923 -11.222 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.066 -9.448 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.299 -10.246 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.789 -12.321 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.108 -11.406 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.900 -11.351 -3.408 1.00 0.00 H new ATOM 316 N VAL A 24 -3.443 -9.170 -1.401 1.00 0.00 N ATOM 317 CA VAL A 24 -4.465 -9.082 -0.372 1.00 0.00 C ATOM 318 C VAL A 24 -5.498 -10.189 -0.589 1.00 0.00 C ATOM 319 O VAL A 24 -5.567 -10.776 -1.668 1.00 0.00 O ATOM 320 CB VAL A 24 -5.081 -7.681 -0.366 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.062 -6.636 0.093 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.650 -7.326 -1.741 1.00 0.00 C ATOM 0 H VAL A 24 -3.754 -9.591 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.028 -9.235 0.615 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.905 -7.681 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.525 -5.649 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.726 -6.874 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.208 -6.639 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.082 -6.326 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.852 -7.353 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.422 -8.046 -2.012 1.00 0.00 H new ATOM 332 N VAL A 25 -6.277 -10.440 0.453 1.00 0.00 N ATOM 333 CA VAL A 25 -7.304 -11.467 0.390 1.00 0.00 C ATOM 334 C VAL A 25 -8.278 -11.138 -0.743 1.00 0.00 C ATOM 335 O VAL A 25 -8.445 -9.974 -1.105 1.00 0.00 O ATOM 336 CB VAL A 25 -7.991 -11.603 1.749 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.995 -12.037 2.827 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.692 -10.301 2.143 1.00 0.00 C ATOM 0 H VAL A 25 -6.218 -9.950 1.346 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.861 -12.438 0.167 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.751 -12.380 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.510 -12.126 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.563 -13.000 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.202 -11.294 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.172 -10.426 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.959 -9.496 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.445 -10.052 1.395 1.00 0.00 H new ATOM 348 N GLN A 26 -8.897 -12.184 -1.271 1.00 0.00 N ATOM 349 CA GLN A 26 -9.850 -12.020 -2.355 1.00 0.00 C ATOM 350 C GLN A 26 -10.912 -10.986 -1.977 1.00 0.00 C ATOM 351 O GLN A 26 -11.577 -10.426 -2.847 1.00 0.00 O ATOM 352 CB GLN A 26 -10.495 -13.358 -2.725 1.00 0.00 C ATOM 353 CG GLN A 26 -10.383 -13.624 -4.227 1.00 0.00 C ATOM 354 CD GLN A 26 -11.758 -13.902 -4.838 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.303 -14.988 -4.737 1.00 0.00 O ATOM 356 NE2 GLN A 26 -12.286 -12.862 -5.477 1.00 0.00 N ATOM 0 H GLN A 26 -8.757 -13.148 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.314 -11.657 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.012 -14.164 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.544 -13.354 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.929 -12.764 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.725 -14.475 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.776 -11.980 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.201 -12.946 -5.920 1.00 0.00 H new ATOM 365 N ASN A 27 -11.039 -10.763 -0.677 1.00 0.00 N ATOM 366 CA ASN A 27 -12.008 -9.806 -0.172 1.00 0.00 C ATOM 367 C ASN A 27 -11.359 -8.958 0.924 1.00 0.00 C ATOM 368 O ASN A 27 -11.739 -9.048 2.090 1.00 0.00 O ATOM 369 CB ASN A 27 -13.219 -10.517 0.435 1.00 0.00 C ATOM 370 CG ASN A 27 -14.199 -10.959 -0.654 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.818 -11.354 -1.744 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.478 -10.870 -0.300 1.00 0.00 N ATOM 0 H ASN A 27 -10.486 -11.229 0.042 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.335 -9.185 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.887 -11.385 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.724 -9.850 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.209 -11.141 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.728 -10.531 0.629 1.00 0.00 H new ATOM 379 N ALA A 28 -10.391 -8.154 0.510 1.00 0.00 N ATOM 380 CA ALA A 28 -9.686 -7.290 1.442 1.00 0.00 C ATOM 381 C ALA A 28 -10.395 -5.937 1.514 1.00 0.00 C ATOM 382 O ALA A 28 -11.391 -5.717 0.826 1.00 0.00 O ATOM 383 CB ALA A 28 -8.224 -7.160 1.010 1.00 0.00 C ATOM 0 H ALA A 28 -10.078 -8.082 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.694 -7.719 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.694 -6.512 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.757 -8.145 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.177 -6.730 0.009 1.00 0.00 H new ATOM 389 N THR A 29 -9.855 -5.065 2.352 1.00 0.00 N ATOM 390 CA THR A 29 -10.424 -3.739 2.523 1.00 0.00 C ATOM 391 C THR A 29 -9.347 -2.668 2.333 1.00 0.00 C ATOM 392 O THR A 29 -8.205 -2.983 2.004 1.00 0.00 O ATOM 393 CB THR A 29 -11.098 -3.687 3.895 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.015 -3.772 4.817 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.933 -4.935 4.185 1.00 0.00 C ATOM 0 H THR A 29 -9.029 -5.251 2.921 1.00 0.00 H new ATOM 0 HA THR A 29 -11.180 -3.532 1.766 1.00 0.00 H new ATOM 0 HB THR A 29 -11.734 -2.804 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.362 -3.744 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.389 -4.847 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.714 -5.033 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.292 -5.816 4.160 1.00 0.00 H new ATOM 403 N VAL A 30 -9.750 -1.425 2.549 1.00 0.00 N ATOM 404 CA VAL A 30 -8.835 -0.306 2.407 1.00 0.00 C ATOM 405 C VAL A 30 -7.684 -0.463 3.403 1.00 0.00 C ATOM 406 O VAL A 30 -6.537 -0.152 3.087 1.00 0.00 O ATOM 407 CB VAL A 30 -9.591 1.014 2.571 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.629 2.203 2.555 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.668 1.166 1.494 1.00 0.00 C ATOM 0 H VAL A 30 -10.699 -1.168 2.822 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.401 -0.294 1.407 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.087 0.998 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.192 3.129 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.916 2.105 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.092 2.224 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.191 2.112 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.202 1.150 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.379 0.344 1.572 1.00 0.00 H new ATOM 419 N LEU A 31 -8.031 -0.947 4.587 1.00 0.00 N ATOM 420 CA LEU A 31 -7.042 -1.149 5.632 1.00 0.00 C ATOM 421 C LEU A 31 -6.007 -2.171 5.157 1.00 0.00 C ATOM 422 O LEU A 31 -4.821 -1.859 5.059 1.00 0.00 O ATOM 423 CB LEU A 31 -7.723 -1.530 6.948 1.00 0.00 C ATOM 424 CG LEU A 31 -6.958 -1.178 8.225 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.380 0.236 8.145 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.839 -1.367 9.462 1.00 0.00 C ATOM 0 H LEU A 31 -8.983 -1.205 4.845 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.506 -0.222 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.697 -1.041 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.906 -2.605 6.942 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.117 -1.865 8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.841 0.461 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.696 0.302 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.190 0.953 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.271 -1.110 10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.713 -0.720 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.162 -2.406 9.524 1.00 0.00 H new ATOM 438 N ASP A 32 -6.493 -3.371 4.874 1.00 0.00 N ATOM 439 CA ASP A 32 -5.625 -4.440 4.412 1.00 0.00 C ATOM 440 C ASP A 32 -4.612 -3.874 3.415 1.00 0.00 C ATOM 441 O ASP A 32 -3.405 -4.024 3.599 1.00 0.00 O ATOM 442 CB ASP A 32 -6.427 -5.533 3.701 1.00 0.00 C ATOM 443 CG ASP A 32 -5.896 -6.954 3.894 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.656 -7.108 3.847 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.741 -7.855 4.086 1.00 0.00 O ATOM 0 H ASP A 32 -7.477 -3.626 4.956 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.125 -4.867 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.457 -5.495 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.448 -5.311 2.634 1.00 0.00 H new ATOM 450 N LEU A 33 -5.140 -3.235 2.382 1.00 0.00 N ATOM 451 CA LEU A 33 -4.296 -2.645 1.356 1.00 0.00 C ATOM 452 C LEU A 33 -3.075 -2.000 2.015 1.00 0.00 C ATOM 453 O LEU A 33 -1.958 -2.497 1.882 1.00 0.00 O ATOM 454 CB LEU A 33 -5.106 -1.683 0.485 1.00 0.00 C ATOM 455 CG LEU A 33 -4.652 -1.553 -0.971 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.297 -0.849 -1.062 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.637 -2.917 -1.664 1.00 0.00 C ATOM 0 H LEU A 33 -6.142 -3.113 2.233 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.924 -3.414 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.147 -2.006 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.075 -0.695 0.944 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.374 -0.931 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.998 -0.770 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.376 0.149 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.551 -1.424 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.311 -2.797 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.950 -3.583 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.640 -3.345 -1.647 1.00 0.00 H new ATOM 469 N LYS A 34 -3.330 -0.901 2.710 1.00 0.00 N ATOM 470 CA LYS A 34 -2.265 -0.183 3.390 1.00 0.00 C ATOM 471 C LYS A 34 -1.358 -1.183 4.108 1.00 0.00 C ATOM 472 O LYS A 34 -0.168 -1.274 3.808 1.00 0.00 O ATOM 473 CB LYS A 34 -2.847 0.891 4.312 1.00 0.00 C ATOM 474 CG LYS A 34 -3.472 2.029 3.502 1.00 0.00 C ATOM 475 CD LYS A 34 -4.982 2.107 3.741 1.00 0.00 C ATOM 476 CE LYS A 34 -5.361 3.419 4.431 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.555 3.229 5.284 1.00 0.00 N ATOM 0 H LYS A 34 -4.258 -0.491 2.817 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.645 0.350 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.600 0.447 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.062 1.287 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.007 2.975 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.276 1.876 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.509 2.027 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.301 1.264 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.527 3.773 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.560 4.186 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.328 3.832 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.851 2.233 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.326 3.489 6.265 1.00 0.00 H new ATOM 491 N LYS A 35 -1.954 -1.910 5.042 1.00 0.00 N ATOM 492 CA LYS A 35 -1.214 -2.900 5.805 1.00 0.00 C ATOM 493 C LYS A 35 -0.291 -3.678 4.864 1.00 0.00 C ATOM 494 O LYS A 35 0.923 -3.698 5.056 1.00 0.00 O ATOM 495 CB LYS A 35 -2.172 -3.789 6.601 1.00 0.00 C ATOM 496 CG LYS A 35 -2.980 -2.964 7.604 1.00 0.00 C ATOM 497 CD LYS A 35 -3.731 -3.871 8.582 1.00 0.00 C ATOM 498 CE LYS A 35 -3.284 -3.613 10.022 1.00 0.00 C ATOM 499 NZ LYS A 35 -1.939 -4.185 10.258 1.00 0.00 N ATOM 0 H LYS A 35 -2.941 -1.833 5.287 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.578 -2.413 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.849 -4.303 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.607 -4.558 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.313 -2.301 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.690 -2.331 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.804 -3.698 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.554 -4.915 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.269 -2.541 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.000 -4.054 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.651 -4.001 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.964 -5.211 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.256 -3.745 9.609 1.00 0.00 H new ATOM 513 N ALA A 36 -0.904 -4.300 3.867 1.00 0.00 N ATOM 514 CA ALA A 36 -0.153 -5.077 2.896 1.00 0.00 C ATOM 515 C ALA A 36 1.056 -4.266 2.425 1.00 0.00 C ATOM 516 O ALA A 36 2.197 -4.621 2.714 1.00 0.00 O ATOM 517 CB ALA A 36 -1.073 -5.477 1.741 1.00 0.00 C ATOM 0 H ALA A 36 -1.912 -4.281 3.711 1.00 0.00 H new ATOM 0 HA ALA A 36 0.222 -5.996 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.510 -6.060 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.899 -6.076 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.467 -4.580 1.262 1.00 0.00 H new ATOM 523 N ILE A 37 0.763 -3.191 1.707 1.00 0.00 N ATOM 524 CA ILE A 37 1.812 -2.327 1.192 1.00 0.00 C ATOM 525 C ILE A 37 2.909 -2.180 2.248 1.00 0.00 C ATOM 526 O ILE A 37 4.087 -2.063 1.913 1.00 0.00 O ATOM 527 CB ILE A 37 1.226 -0.993 0.725 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.259 -1.198 -0.443 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.335 0.004 0.384 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.641 0.025 -0.631 1.00 0.00 C ATOM 0 H ILE A 37 -0.185 -2.899 1.470 1.00 0.00 H new ATOM 0 HA ILE A 37 2.274 -2.772 0.311 1.00 0.00 H new ATOM 0 HB ILE A 37 0.652 -0.566 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.822 -1.384 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.354 -2.081 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.891 0.944 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.948 0.182 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.957 -0.402 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.319 -0.147 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.220 0.193 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.026 0.901 -0.836 1.00 0.00 H new ATOM 542 N GLN A 38 2.484 -2.192 3.503 1.00 0.00 N ATOM 543 CA GLN A 38 3.416 -2.062 4.610 1.00 0.00 C ATOM 544 C GLN A 38 4.119 -3.395 4.872 1.00 0.00 C ATOM 545 O GLN A 38 5.348 -3.464 4.869 1.00 0.00 O ATOM 546 CB GLN A 38 2.706 -1.560 5.869 1.00 0.00 C ATOM 547 CG GLN A 38 2.950 -0.064 6.078 1.00 0.00 C ATOM 548 CD GLN A 38 2.480 0.380 7.465 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.161 0.332 7.630 1.00 0.00 O flip ATOM 550 NE2 GLN A 38 3.263 0.742 8.327 1.00 0.00 N flip ATOM 0 H GLN A 38 1.507 -2.290 3.778 1.00 0.00 H new ATOM 0 HA GLN A 38 4.170 -1.323 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.636 -1.749 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.062 -2.115 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.012 0.154 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.423 0.505 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.264 0.755 8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.916 1.032 9.241 1.00 0.00 H new ATOM 559 N ARG A 39 3.311 -4.421 5.091 1.00 0.00 N ATOM 560 CA ARG A 39 3.840 -5.748 5.353 1.00 0.00 C ATOM 561 C ARG A 39 4.644 -6.247 4.151 1.00 0.00 C ATOM 562 O ARG A 39 5.359 -7.243 4.248 1.00 0.00 O ATOM 563 CB ARG A 39 2.715 -6.741 5.652 1.00 0.00 C ATOM 564 CG ARG A 39 2.896 -7.377 7.032 1.00 0.00 C ATOM 565 CD ARG A 39 1.613 -7.271 7.858 1.00 0.00 C ATOM 566 NE ARG A 39 0.951 -8.592 7.937 1.00 0.00 N ATOM 567 CZ ARG A 39 -0.179 -8.827 8.617 1.00 0.00 C ATOM 568 NH1 ARG A 39 -0.782 -7.830 9.280 1.00 0.00 N ATOM 569 NH2 ARG A 39 -0.708 -10.058 8.634 1.00 0.00 N ATOM 0 H ARG A 39 2.293 -4.360 5.092 1.00 0.00 H new ATOM 0 HA ARG A 39 4.490 -5.678 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.753 -6.230 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.699 -7.519 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.175 -8.425 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.713 -6.885 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.845 -6.911 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.939 -6.544 7.406 1.00 0.00 H new ATOM 0 HE ARG A 39 1.382 -9.373 7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.380 -6.892 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.642 -8.009 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.250 -10.817 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.568 -10.236 9.152 1.00 0.00 H new ATOM 583 N TYR A 40 4.501 -5.530 3.046 1.00 0.00 N ATOM 584 CA TYR A 40 5.205 -5.887 1.826 1.00 0.00 C ATOM 585 C TYR A 40 6.645 -5.371 1.853 1.00 0.00 C ATOM 586 O TYR A 40 7.571 -6.082 1.465 1.00 0.00 O ATOM 587 CB TYR A 40 4.451 -5.198 0.687 1.00 0.00 C ATOM 588 CG TYR A 40 5.059 -5.438 -0.697 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.047 -4.599 -1.171 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.620 -6.493 -1.470 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.620 -4.824 -2.472 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.193 -6.718 -2.772 1.00 0.00 C ATOM 593 CZ TYR A 40 6.165 -5.873 -3.209 1.00 0.00 C ATOM 594 OH TYR A 40 6.705 -6.086 -4.439 1.00 0.00 O ATOM 0 H TYR A 40 3.908 -4.704 2.970 1.00 0.00 H new ATOM 0 HA TYR A 40 5.243 -6.970 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.419 -5.548 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.424 -4.125 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.390 -3.773 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.847 -7.150 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.394 -4.175 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.858 -7.540 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 40 6.469 -6.985 -4.749 1.00 0.00 H new ATOM 604 N VAL A 41 6.789 -4.138 2.316 1.00 0.00 N ATOM 605 CA VAL A 41 8.101 -3.518 2.400 1.00 0.00 C ATOM 606 C VAL A 41 8.698 -3.781 3.784 1.00 0.00 C ATOM 607 O VAL A 41 9.868 -4.140 3.901 1.00 0.00 O ATOM 608 CB VAL A 41 7.998 -2.029 2.066 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.385 -1.414 1.869 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.118 -1.802 0.835 1.00 0.00 C ATOM 0 H VAL A 41 6.019 -3.551 2.637 1.00 0.00 H new ATOM 0 HA VAL A 41 8.778 -3.956 1.666 1.00 0.00 H new ATOM 0 HB VAL A 41 7.526 -1.528 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.283 -0.355 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.967 -1.527 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.895 -1.921 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.062 -0.735 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.548 -2.323 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.116 -2.186 1.028 1.00 0.00 H new ATOM 620 N GLN A 42 7.865 -3.592 4.797 1.00 0.00 N ATOM 621 CA GLN A 42 8.296 -3.804 6.169 1.00 0.00 C ATOM 622 C GLN A 42 8.965 -5.172 6.309 1.00 0.00 C ATOM 623 O GLN A 42 10.175 -5.257 6.517 1.00 0.00 O ATOM 624 CB GLN A 42 7.121 -3.666 7.140 1.00 0.00 C ATOM 625 CG GLN A 42 7.598 -3.182 8.511 1.00 0.00 C ATOM 626 CD GLN A 42 6.411 -2.909 9.438 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.365 -2.434 9.028 1.00 0.00 O ATOM 628 NE2 GLN A 42 6.632 -3.236 10.709 1.00 0.00 N ATOM 0 H GLN A 42 6.895 -3.295 4.696 1.00 0.00 H new ATOM 0 HA GLN A 42 9.027 -3.036 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.391 -2.964 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.616 -4.626 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.249 -3.932 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.190 -2.274 8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.531 -3.630 10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.902 -3.093 11.407 1.00 0.00 H new ATOM 637 N LEU A 43 8.150 -6.210 6.191 1.00 0.00 N ATOM 638 CA LEU A 43 8.648 -7.570 6.302 1.00 0.00 C ATOM 639 C LEU A 43 9.909 -7.718 5.448 1.00 0.00 C ATOM 640 O LEU A 43 10.865 -8.376 5.855 1.00 0.00 O ATOM 641 CB LEU A 43 7.548 -8.574 5.953 1.00 0.00 C ATOM 642 CG LEU A 43 7.508 -9.046 4.498 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.695 -9.958 4.185 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.170 -9.716 4.175 1.00 0.00 C ATOM 0 H LEU A 43 7.147 -6.136 6.019 1.00 0.00 H new ATOM 0 HA LEU A 43 8.932 -7.789 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.664 -9.448 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.584 -8.126 6.196 1.00 0.00 H new ATOM 0 HG LEU A 43 7.594 -8.172 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.643 -10.279 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.625 -9.414 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.665 -10.831 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.168 -10.042 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.029 -10.579 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.359 -9.005 4.334 1.00 0.00 H new ATOM 656 N LYS A 44 9.870 -7.095 4.280 1.00 0.00 N ATOM 657 CA LYS A 44 10.998 -7.149 3.365 1.00 0.00 C ATOM 658 C LYS A 44 12.269 -6.722 4.103 1.00 0.00 C ATOM 659 O LYS A 44 13.137 -7.548 4.379 1.00 0.00 O ATOM 660 CB LYS A 44 10.710 -6.324 2.109 1.00 0.00 C ATOM 661 CG LYS A 44 10.981 -7.139 0.843 1.00 0.00 C ATOM 662 CD LYS A 44 10.721 -6.305 -0.413 1.00 0.00 C ATOM 663 CE LYS A 44 12.015 -5.672 -0.929 1.00 0.00 C ATOM 664 NZ LYS A 44 12.322 -6.159 -2.292 1.00 0.00 N ATOM 0 H LYS A 44 9.075 -6.550 3.946 1.00 0.00 H new ATOM 0 HA LYS A 44 11.158 -8.170 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.671 -5.993 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.330 -5.428 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.014 -7.488 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.346 -8.025 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.286 -6.935 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.993 -5.524 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.918 -4.586 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.838 -5.913 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.203 -5.720 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.435 -7.193 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.544 -5.907 -2.934 1.00 0.00 H new ATOM 678 N GLN A 45 12.337 -5.433 4.400 1.00 0.00 N ATOM 679 CA GLN A 45 13.487 -4.887 5.101 1.00 0.00 C ATOM 680 C GLN A 45 13.725 -5.649 6.406 1.00 0.00 C ATOM 681 O GLN A 45 14.866 -5.941 6.759 1.00 0.00 O ATOM 682 CB GLN A 45 13.308 -3.390 5.364 1.00 0.00 C ATOM 683 CG GLN A 45 13.275 -2.603 4.053 1.00 0.00 C ATOM 684 CD GLN A 45 12.780 -1.173 4.284 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.982 -0.900 5.165 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.299 -0.280 3.447 1.00 0.00 N ATOM 0 H GLN A 45 11.615 -4.751 4.168 1.00 0.00 H new ATOM 0 HA GLN A 45 14.366 -5.009 4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.383 -3.222 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.123 -3.027 5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.272 -2.580 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.623 -3.106 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.963 -0.577 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.034 0.702 3.520 1.00 0.00 H new ATOM 695 N GLU A 46 12.628 -5.948 7.087 1.00 0.00 N ATOM 696 CA GLU A 46 12.703 -6.670 8.346 1.00 0.00 C ATOM 697 C GLU A 46 13.627 -7.882 8.208 1.00 0.00 C ATOM 698 O GLU A 46 14.515 -8.087 9.035 1.00 0.00 O ATOM 699 CB GLU A 46 11.311 -7.094 8.819 1.00 0.00 C ATOM 700 CG GLU A 46 11.023 -6.560 10.224 1.00 0.00 C ATOM 701 CD GLU A 46 10.340 -7.624 11.085 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.836 -8.771 11.069 1.00 0.00 O ATOM 703 OE2 GLU A 46 9.339 -7.265 11.741 1.00 0.00 O ATOM 0 H GLU A 46 11.683 -5.704 6.791 1.00 0.00 H new ATOM 0 HA GLU A 46 13.120 -6.003 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.558 -6.723 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.238 -8.182 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.954 -6.248 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.387 -5.677 10.158 1.00 0.00 H new ATOM 832 N SER A 55 8.913 6.583 8.181 1.00 0.00 N ATOM 833 CA SER A 55 7.816 7.280 8.830 1.00 0.00 C ATOM 834 C SER A 55 6.504 6.985 8.099 1.00 0.00 C ATOM 835 O SER A 55 5.972 7.846 7.400 1.00 0.00 O ATOM 836 CB SER A 55 8.071 8.787 8.876 1.00 0.00 C ATOM 837 OG SER A 55 7.721 9.350 10.137 1.00 0.00 O ATOM 0 HA SER A 55 7.742 6.921 9.856 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.124 8.983 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.497 9.276 8.089 1.00 0.00 H new ATOM 0 HG SER A 55 7.900 10.313 10.126 1.00 0.00 H new ATOM 843 N TRP A 56 6.021 5.766 8.285 1.00 0.00 N ATOM 844 CA TRP A 56 4.782 5.347 7.652 1.00 0.00 C ATOM 845 C TRP A 56 3.672 6.295 8.112 1.00 0.00 C ATOM 846 O TRP A 56 2.886 6.776 7.298 1.00 0.00 O ATOM 847 CB TRP A 56 4.479 3.879 7.958 1.00 0.00 C ATOM 848 CG TRP A 56 5.252 2.889 7.085 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.064 1.899 7.482 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.254 2.832 5.643 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.587 1.212 6.405 1.00 0.00 N ATOM 852 CE2 TRP A 56 6.078 1.797 5.252 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.581 3.630 4.701 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.307 1.464 3.911 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.820 3.284 3.365 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.647 2.245 2.955 1.00 0.00 C ATOM 0 H TRP A 56 6.465 5.054 8.865 1.00 0.00 H new ATOM 0 HA TRP A 56 4.864 5.407 6.567 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.710 3.682 9.005 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.411 3.705 7.829 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.282 1.668 8.514 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.229 0.421 6.448 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.932 4.445 4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.957 0.649 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.327 3.865 2.600 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.780 2.041 1.903 1.00 0.00 H new ATOM 867 N SER A 57 3.645 6.535 9.415 1.00 0.00 N ATOM 868 CA SER A 57 2.645 7.416 9.992 1.00 0.00 C ATOM 869 C SER A 57 2.435 8.633 9.088 1.00 0.00 C ATOM 870 O SER A 57 1.316 8.903 8.656 1.00 0.00 O ATOM 871 CB SER A 57 3.051 7.864 11.398 1.00 0.00 C ATOM 872 OG SER A 57 2.599 6.955 12.398 1.00 0.00 O ATOM 0 H SER A 57 4.300 6.135 10.087 1.00 0.00 H new ATOM 0 HA SER A 57 1.708 6.864 10.071 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.136 7.952 11.452 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.641 8.854 11.596 1.00 0.00 H new ATOM 0 HG SER A 57 2.879 7.274 13.281 1.00 0.00 H new ATOM 878 N TYR A 58 3.529 9.334 8.829 1.00 0.00 N ATOM 879 CA TYR A 58 3.479 10.515 7.985 1.00 0.00 C ATOM 880 C TYR A 58 2.948 10.171 6.592 1.00 0.00 C ATOM 881 O TYR A 58 1.972 10.762 6.132 1.00 0.00 O ATOM 882 CB TYR A 58 4.923 11.006 7.860 1.00 0.00 C ATOM 883 CG TYR A 58 5.133 12.046 6.758 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.847 13.374 6.999 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.609 11.656 5.523 1.00 0.00 C ATOM 886 CE1 TYR A 58 5.045 14.353 5.961 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.807 12.635 4.485 1.00 0.00 C ATOM 888 CZ TYR A 58 5.516 13.935 4.756 1.00 0.00 C ATOM 889 OH TYR A 58 5.703 14.860 3.776 1.00 0.00 O ATOM 0 H TYR A 58 4.456 9.106 9.189 1.00 0.00 H new ATOM 0 HA TYR A 58 2.818 11.267 8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.234 11.434 8.813 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.571 10.151 7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.475 13.680 7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.833 10.616 5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.824 15.396 6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.178 12.343 3.514 1.00 0.00 H new ATOM 0 HH TYR A 58 6.044 14.419 2.970 1.00 0.00 H new ATOM 899 N VAL A 59 3.613 9.216 5.959 1.00 0.00 N ATOM 900 CA VAL A 59 3.221 8.786 4.628 1.00 0.00 C ATOM 901 C VAL A 59 1.700 8.622 4.577 1.00 0.00 C ATOM 902 O VAL A 59 1.021 9.321 3.828 1.00 0.00 O ATOM 903 CB VAL A 59 3.973 7.509 4.247 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.356 6.859 3.007 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.461 7.792 4.035 1.00 0.00 C ATOM 0 H VAL A 59 4.422 8.728 6.344 1.00 0.00 H new ATOM 0 HA VAL A 59 3.492 9.539 3.888 1.00 0.00 H new ATOM 0 HB VAL A 59 3.881 6.806 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.909 5.953 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.316 6.605 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.403 7.555 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.972 6.868 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.582 8.521 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.891 8.189 4.955 1.00 0.00 H new ATOM 915 N TRP A 60 1.210 7.693 5.386 1.00 0.00 N ATOM 916 CA TRP A 60 -0.217 7.428 5.443 1.00 0.00 C ATOM 917 C TRP A 60 -0.919 8.713 5.887 1.00 0.00 C ATOM 918 O TRP A 60 -2.016 9.018 5.421 1.00 0.00 O ATOM 919 CB TRP A 60 -0.518 6.237 6.354 1.00 0.00 C ATOM 920 CG TRP A 60 0.101 4.920 5.882 1.00 0.00 C ATOM 921 CD1 TRP A 60 1.000 4.156 6.518 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.171 4.239 4.639 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.326 3.037 5.779 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.591 3.089 4.600 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.033 4.583 3.583 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.568 2.190 3.527 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.044 3.674 2.518 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.283 2.512 2.463 1.00 0.00 C ATOM 0 H TRP A 60 1.776 7.115 6.007 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.596 7.146 4.461 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.154 6.459 7.357 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.598 6.113 6.428 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.417 4.387 7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.985 2.306 6.048 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.639 5.477 3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.174 1.296 3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.690 3.891 1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.348 1.861 1.604 1.00 0.00 H new ATOM 939 N ARG A 61 -0.258 9.431 6.783 1.00 0.00 N ATOM 940 CA ARG A 61 -0.805 10.676 7.295 1.00 0.00 C ATOM 941 C ARG A 61 -0.407 11.843 6.389 1.00 0.00 C ATOM 942 O ARG A 61 -0.021 12.906 6.874 1.00 0.00 O ATOM 943 CB ARG A 61 -0.311 10.951 8.717 1.00 0.00 C ATOM 944 CG ARG A 61 -1.055 12.136 9.336 1.00 0.00 C ATOM 945 CD ARG A 61 -0.073 13.158 9.913 1.00 0.00 C ATOM 946 NE ARG A 61 -0.465 13.511 11.296 1.00 0.00 N ATOM 947 CZ ARG A 61 0.232 14.339 12.086 1.00 0.00 C ATOM 948 NH1 ARG A 61 1.360 14.905 11.634 1.00 0.00 N ATOM 949 NH2 ARG A 61 -0.199 14.602 13.327 1.00 0.00 N ATOM 0 H ARG A 61 0.651 9.174 7.168 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.891 10.579 7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.455 10.064 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.759 11.157 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.680 12.613 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.721 11.781 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.937 12.748 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.059 14.053 9.291 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.319 13.098 11.671 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.688 14.705 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.891 15.535 12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.058 14.172 13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.332 15.232 13.928 1.00 0.00 H new ATOM 963 N THR A 62 -0.515 11.606 5.090 1.00 0.00 N ATOM 964 CA THR A 62 -0.170 12.624 4.113 1.00 0.00 C ATOM 965 C THR A 62 -0.793 12.292 2.755 1.00 0.00 C ATOM 966 O THR A 62 -1.341 13.169 2.088 1.00 0.00 O ATOM 967 CB THR A 62 1.354 12.742 4.069 1.00 0.00 C ATOM 968 OG1 THR A 62 1.677 13.505 5.229 1.00 0.00 O ATOM 969 CG2 THR A 62 1.842 13.608 2.906 1.00 0.00 C ATOM 0 H THR A 62 -0.837 10.724 4.692 1.00 0.00 H new ATOM 0 HA THR A 62 -0.577 13.595 4.394 1.00 0.00 H new ATOM 0 HB THR A 62 1.792 11.747 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.853 13.748 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.931 13.658 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.513 13.171 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.431 14.613 3.003 1.00 0.00 H new ATOM 977 N TYR A 63 -0.688 11.024 2.386 1.00 0.00 N ATOM 978 CA TYR A 63 -1.235 10.566 1.120 1.00 0.00 C ATOM 979 C TYR A 63 -2.285 9.475 1.339 1.00 0.00 C ATOM 980 O TYR A 63 -2.126 8.621 2.209 1.00 0.00 O ATOM 981 CB TYR A 63 -0.057 9.974 0.343 1.00 0.00 C ATOM 982 CG TYR A 63 0.931 11.018 -0.179 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.604 11.792 -1.274 1.00 0.00 C ATOM 984 CD2 TYR A 63 2.151 11.187 0.445 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.534 12.775 -1.765 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.081 12.170 -0.047 1.00 0.00 C ATOM 987 CZ TYR A 63 2.727 12.916 -1.127 1.00 0.00 C ATOM 988 OH TYR A 63 3.606 13.844 -1.591 1.00 0.00 O ATOM 0 H TYR A 63 -0.232 10.300 2.941 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.716 11.388 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.476 9.275 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.442 9.400 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.350 11.660 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.408 10.582 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.290 13.387 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.039 12.312 0.431 1.00 0.00 H new ATOM 0 HH TYR A 63 4.415 13.834 -1.037 1.00 0.00 H new ATOM 998 N HIS A 64 -3.336 9.540 0.534 1.00 0.00 N ATOM 999 CA HIS A 64 -4.412 8.569 0.629 1.00 0.00 C ATOM 1000 C HIS A 64 -4.433 7.701 -0.630 1.00 0.00 C ATOM 1001 O HIS A 64 -3.678 7.946 -1.570 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.750 9.264 0.892 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.012 9.559 2.350 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.206 8.565 3.293 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.111 10.746 3.015 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.411 9.139 4.469 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.352 10.490 4.295 1.00 0.00 N ATOM 0 H HIS A 64 -3.465 10.250 -0.187 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.237 7.910 1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.779 10.199 0.332 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.555 8.637 0.508 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.193 7.561 3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.010 11.727 2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.593 8.627 5.402 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.305 6.703 -0.609 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.434 5.798 -1.738 1.00 0.00 C ATOM 1017 C LEU A 65 -6.761 6.064 -2.451 1.00 0.00 C ATOM 1018 O LEU A 65 -7.827 5.959 -1.846 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.261 4.347 -1.283 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.111 4.082 -0.308 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.025 2.597 0.048 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.789 4.617 -0.861 1.00 0.00 C ATOM 0 H LEU A 65 -5.929 6.502 0.172 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.640 5.978 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.190 4.020 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.113 3.725 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.315 4.623 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.200 2.436 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.958 2.280 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.856 2.015 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.989 4.416 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.565 4.125 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.870 5.692 -1.021 1.00 0.00 H new ATOM 1034 N THR A 66 -6.652 6.404 -3.727 1.00 0.00 N ATOM 1035 CA THR A 66 -7.830 6.687 -4.529 1.00 0.00 C ATOM 1036 C THR A 66 -8.008 5.619 -5.610 1.00 0.00 C ATOM 1037 O THR A 66 -7.192 4.706 -5.726 1.00 0.00 O ATOM 1038 CB THR A 66 -7.691 8.103 -5.091 1.00 0.00 C ATOM 1039 OG1 THR A 66 -8.852 8.270 -5.901 1.00 0.00 O ATOM 1040 CG2 THR A 66 -6.528 8.230 -6.077 1.00 0.00 C ATOM 0 H THR A 66 -5.766 6.490 -4.225 1.00 0.00 H new ATOM 0 HA THR A 66 -8.737 6.649 -3.926 1.00 0.00 H new ATOM 0 HB THR A 66 -7.550 8.807 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.844 9.163 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.474 9.254 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.595 7.976 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.685 7.551 -6.915 1.00 0.00 H new ATOM 1048 N SER A 67 -9.081 5.768 -6.374 1.00 0.00 N ATOM 1049 CA SER A 67 -9.376 4.827 -7.441 1.00 0.00 C ATOM 1050 C SER A 67 -10.765 5.110 -8.018 1.00 0.00 C ATOM 1051 O SER A 67 -11.663 5.542 -7.298 1.00 0.00 O ATOM 1052 CB SER A 67 -9.292 3.384 -6.942 1.00 0.00 C ATOM 1053 OG SER A 67 -9.955 2.476 -7.818 1.00 0.00 O ATOM 0 H SER A 67 -9.756 6.526 -6.275 1.00 0.00 H new ATOM 0 HA SER A 67 -8.630 4.955 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.246 3.095 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.735 3.318 -5.948 1.00 0.00 H new ATOM 0 HG SER A 67 -9.358 1.727 -8.026 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.897 4.854 -9.311 1.00 0.00 N ATOM 1060 CA ALA A 68 -12.160 5.075 -9.993 1.00 0.00 C ATOM 1061 C ALA A 68 -12.708 6.452 -9.609 1.00 0.00 C ATOM 1062 O ALA A 68 -13.921 6.651 -9.564 1.00 0.00 O ATOM 1063 CB ALA A 68 -13.132 3.945 -9.647 1.00 0.00 C ATOM 0 H ALA A 68 -10.149 4.495 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.019 5.065 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.080 4.111 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.710 2.992 -9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.300 3.926 -8.570 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.787 7.366 -9.343 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.162 8.718 -8.965 1.00 0.00 C ATOM 1071 C GLY A 69 -12.887 8.729 -7.617 1.00 0.00 C ATOM 1072 O GLY A 69 -13.809 9.516 -7.411 1.00 0.00 O ATOM 0 H GLY A 69 -10.782 7.197 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.271 9.344 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.806 9.149 -9.732 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.442 7.846 -6.735 1.00 0.00 N ATOM 1077 CA GLU A 70 -13.037 7.745 -5.413 1.00 0.00 C ATOM 1078 C GLU A 70 -11.947 7.581 -4.352 1.00 0.00 C ATOM 1079 O GLU A 70 -10.990 6.834 -4.549 1.00 0.00 O ATOM 1080 CB GLU A 70 -14.040 6.592 -5.351 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.451 7.074 -5.695 1.00 0.00 C ATOM 1082 CD GLU A 70 -16.377 6.972 -4.482 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.972 7.480 -3.414 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -17.470 6.388 -4.649 1.00 0.00 O ATOM 0 H GLU A 70 -11.677 7.194 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.580 8.668 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.741 5.807 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.035 6.154 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.412 8.107 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.853 6.478 -6.515 1.00 0.00 H new ATOM 1091 N LYS A 71 -12.128 8.293 -3.249 1.00 0.00 N ATOM 1092 CA LYS A 71 -11.172 8.236 -2.156 1.00 0.00 C ATOM 1093 C LYS A 71 -11.370 6.933 -1.378 1.00 0.00 C ATOM 1094 O LYS A 71 -12.480 6.626 -0.946 1.00 0.00 O ATOM 1095 CB LYS A 71 -11.275 9.491 -1.288 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.915 10.743 -2.090 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.453 11.872 -1.166 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.513 12.831 -1.900 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.748 13.649 -0.932 1.00 0.00 N ATOM 0 H LYS A 71 -12.922 8.912 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.153 8.226 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.288 9.584 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.609 9.400 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.126 10.507 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.780 11.071 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.319 12.420 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.945 11.452 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.826 12.266 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.089 13.481 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.115 14.294 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.407 14.203 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.184 13.025 -0.320 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.276 6.201 -1.224 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.316 4.938 -0.506 1.00 0.00 C ATOM 1115 C LEU A 72 -9.945 5.178 0.959 1.00 0.00 C ATOM 1116 O LEU A 72 -8.867 4.784 1.402 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.434 3.899 -1.202 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.475 3.901 -2.732 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.311 3.095 -3.312 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.828 3.404 -3.245 1.00 0.00 C ATOM 0 H LEU A 72 -9.357 6.458 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.325 4.525 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.403 4.056 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.727 2.909 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.358 4.929 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.363 3.112 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.367 3.533 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.372 2.064 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.830 3.415 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.000 2.387 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.619 4.055 -2.874 1.00 0.00 H new ATOM 1132 N THR A 73 -10.858 5.822 1.669 1.00 0.00 N ATOM 1133 CA THR A 73 -10.641 6.118 3.075 1.00 0.00 C ATOM 1134 C THR A 73 -11.347 5.084 3.954 1.00 0.00 C ATOM 1135 O THR A 73 -10.768 4.582 4.916 1.00 0.00 O ATOM 1136 CB THR A 73 -11.105 7.553 3.333 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.525 7.453 3.395 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.848 8.475 2.140 1.00 0.00 C ATOM 0 H THR A 73 -11.750 6.148 1.297 1.00 0.00 H new ATOM 0 HA THR A 73 -9.584 6.051 3.334 1.00 0.00 H new ATOM 0 HB THR A 73 -10.595 7.947 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.908 8.339 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.196 9.481 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.780 8.502 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.385 8.101 1.268 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.588 4.795 3.591 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.380 3.830 4.335 1.00 0.00 C ATOM 1148 C GLU A 74 -12.600 2.525 4.507 1.00 0.00 C ATOM 1149 O GLU A 74 -12.144 1.936 3.528 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.724 3.579 3.649 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.888 3.923 4.581 1.00 0.00 C ATOM 1152 CD GLU A 74 -17.003 4.646 3.822 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.654 5.455 2.936 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -18.179 4.373 4.146 1.00 0.00 O ATOM 0 H GLU A 74 -13.065 5.212 2.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.585 4.241 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.791 4.179 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.792 2.534 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.281 3.011 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.532 4.552 5.397 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.471 2.111 5.759 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.754 0.886 6.072 1.00 0.00 C ATOM 1163 C ASP A 75 -12.743 -0.280 6.121 1.00 0.00 C ATOM 1164 O ASP A 75 -12.422 -1.389 5.697 1.00 0.00 O ATOM 1165 CB ASP A 75 -11.069 0.983 7.437 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.742 2.404 7.898 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.744 2.952 7.383 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.498 2.911 8.754 1.00 0.00 O ATOM 0 H ASP A 75 -12.851 2.602 6.569 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.000 0.729 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.711 0.514 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.145 0.406 7.404 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.926 0.010 6.641 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.964 -1.001 6.751 1.00 0.00 C ATOM 1175 C ARG A 76 -15.384 -1.483 5.361 1.00 0.00 C ATOM 1176 O ARG A 76 -15.849 -2.611 5.205 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.190 -0.454 7.485 1.00 0.00 C ATOM 1178 CG ARG A 76 -16.116 -0.765 8.982 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.612 -2.183 9.272 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.642 -2.419 10.733 1.00 0.00 N ATOM 1181 CZ ARG A 76 -15.580 -2.804 11.454 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -14.398 -2.998 10.854 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -15.701 -2.994 12.775 1.00 0.00 N ATOM 0 H ARG A 76 -14.189 0.931 6.991 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.555 -1.835 7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.256 0.624 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.096 -0.890 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.088 -0.657 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.717 -0.045 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.608 -2.322 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.959 -2.911 8.791 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.526 -2.280 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.306 -2.853 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.590 -3.291 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.601 -2.846 13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.893 -3.287 13.324 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.205 -0.604 4.385 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.560 -0.926 3.013 1.00 0.00 C ATOM 1199 C LYS A 77 -14.487 -1.838 2.415 1.00 0.00 C ATOM 1200 O LYS A 77 -13.337 -1.818 2.849 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.799 0.352 2.208 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.253 0.026 0.784 1.00 0.00 C ATOM 1203 CD LYS A 77 -16.929 1.235 0.133 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.002 0.793 -0.864 1.00 0.00 C ATOM 1205 NZ LYS A 77 -18.949 1.899 -1.130 1.00 0.00 N ATOM 0 H LYS A 77 -14.819 0.331 4.517 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.501 -1.476 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.554 0.962 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.883 0.942 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.395 -0.281 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.945 -0.816 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.379 1.862 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.182 1.843 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.533 0.476 -1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.541 -0.068 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.671 1.582 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.410 2.183 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.433 2.710 -1.527 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.903 -2.618 1.427 1.00 0.00 N ATOM 1220 CA LYS A 78 -13.992 -3.536 0.764 1.00 0.00 C ATOM 1221 C LYS A 78 -13.487 -2.900 -0.532 1.00 0.00 C ATOM 1222 O LYS A 78 -14.169 -2.064 -1.124 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.658 -4.898 0.562 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.000 -5.546 1.906 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.463 -5.992 1.943 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.621 -7.288 2.741 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.926 -7.922 2.448 1.00 0.00 N ATOM 0 H LYS A 78 -15.858 -2.633 1.070 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.118 -3.723 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.566 -4.779 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.993 -5.552 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.350 -6.404 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.811 -4.839 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.075 -5.208 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.828 -6.140 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.812 -7.975 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.544 -7.077 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.017 -8.800 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.694 -7.271 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.985 -8.141 1.433 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.297 -3.319 -0.936 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.694 -2.801 -2.152 1.00 0.00 C ATOM 1243 C LEU A 79 -12.589 -3.140 -3.345 1.00 0.00 C ATOM 1244 O LEU A 79 -12.723 -2.342 -4.272 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.258 -3.310 -2.296 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.360 -3.141 -1.069 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -7.973 -3.736 -1.318 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.286 -1.673 -0.642 1.00 0.00 C ATOM 0 H LEU A 79 -11.734 -4.012 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.620 -1.714 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.293 -4.369 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.793 -2.793 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.804 -3.695 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.355 -3.602 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.067 -4.799 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.507 -3.231 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.642 -1.580 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.878 -1.077 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.286 -1.315 -0.395 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.178 -4.325 -3.284 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.057 -4.780 -4.348 1.00 0.00 C ATOM 1262 C ARG A 80 -15.274 -3.859 -4.462 1.00 0.00 C ATOM 1263 O ARG A 80 -15.630 -3.427 -5.557 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.532 -6.212 -4.097 1.00 0.00 C ATOM 1265 CG ARG A 80 -14.683 -6.979 -5.412 1.00 0.00 C ATOM 1266 CD ARG A 80 -15.852 -7.964 -5.341 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.233 -8.397 -6.704 1.00 0.00 N ATOM 1268 CZ ARG A 80 -15.545 -9.290 -7.429 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -14.437 -9.851 -6.925 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -15.965 -9.622 -8.657 1.00 0.00 N ATOM 0 H ARG A 80 -13.064 -4.984 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.490 -4.756 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.820 -6.727 -3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.486 -6.195 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.843 -6.277 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.761 -7.518 -5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.573 -8.830 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.704 -7.495 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.072 -7.990 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.118 -9.598 -5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.913 -10.531 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.808 -9.195 -9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.441 -10.302 -9.209 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.878 -3.585 -3.315 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.047 -2.724 -3.272 1.00 0.00 C ATOM 1286 C ASP A 81 -16.692 -1.359 -3.866 1.00 0.00 C ATOM 1287 O ASP A 81 -17.577 -0.590 -4.235 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.517 -2.505 -1.832 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.600 -3.473 -1.351 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.027 -4.304 -2.181 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -18.976 -3.359 -0.164 1.00 0.00 O ATOM 0 H ASP A 81 -15.579 -3.944 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.842 -3.206 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.656 -2.588 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.894 -1.487 -1.740 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.394 -1.101 -3.939 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.911 0.157 -4.482 1.00 0.00 C ATOM 1298 C TYR A 82 -14.647 0.041 -5.984 1.00 0.00 C ATOM 1299 O TYR A 82 -14.348 1.035 -6.644 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.591 0.447 -3.764 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.678 1.575 -2.734 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.812 2.883 -3.152 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.622 1.284 -1.386 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.893 3.944 -2.182 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.703 2.345 -0.416 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.835 3.623 -0.862 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.911 4.625 0.054 1.00 0.00 O ATOM 0 H TYR A 82 -14.663 -1.742 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.648 0.946 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.253 -0.461 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.834 0.703 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.856 3.111 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.517 0.260 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.998 4.972 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.660 2.131 0.642 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.321 5.360 -0.215 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.765 -1.182 -6.480 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.542 -1.442 -7.892 1.00 0.00 C ATOM 1319 C GLY A 83 -13.141 -2.009 -8.131 1.00 0.00 C ATOM 1320 O GLY A 83 -12.742 -2.227 -9.274 1.00 0.00 O ATOM 0 H GLY A 83 -15.012 -2.004 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.290 -2.145 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.666 -0.520 -8.459 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.433 -2.232 -7.034 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.085 -2.769 -7.109 1.00 0.00 C ATOM 1326 C ILE A 84 -11.139 -4.291 -6.963 1.00 0.00 C ATOM 1327 O ILE A 84 -11.337 -4.806 -5.864 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.177 -2.085 -6.086 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.440 -0.578 -6.041 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.705 -2.402 -6.360 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.665 0.080 -4.897 1.00 0.00 C ATOM 0 H ILE A 84 -12.768 -2.051 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.644 -2.557 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.414 -2.483 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.149 -0.126 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.507 -0.395 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.081 -1.903 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.548 -3.479 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.436 -2.050 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.870 1.151 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.976 -0.357 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.597 -0.084 -5.039 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.959 -4.969 -8.087 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.984 -6.421 -8.098 1.00 0.00 C ATOM 1345 C ARG A 85 -9.565 -6.976 -8.231 1.00 0.00 C ATOM 1346 O ARG A 85 -8.594 -6.220 -8.214 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.841 -6.949 -9.251 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.309 -6.561 -9.065 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.638 -5.278 -9.831 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.081 -5.242 -10.161 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.644 -4.332 -10.968 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.890 -3.379 -11.532 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.961 -4.376 -11.211 1.00 0.00 N ATOM 0 H ARG A 85 -10.795 -4.539 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.420 -6.752 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.472 -6.549 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.752 -8.034 -9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.950 -7.371 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.520 -6.420 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.372 -4.408 -9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.046 -5.228 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.684 -5.954 -9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.887 -3.346 -11.347 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.319 -2.686 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.535 -5.102 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.390 -3.684 -11.825 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.488 -8.293 -8.361 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.203 -8.957 -8.497 1.00 0.00 C ATOM 1369 C ASN A 86 -7.464 -8.387 -9.709 1.00 0.00 C ATOM 1370 O ASN A 86 -8.058 -8.196 -10.770 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.381 -10.461 -8.717 1.00 0.00 C ATOM 1372 CG ASN A 86 -8.737 -10.764 -10.174 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -9.836 -10.505 -10.638 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.750 -11.325 -10.866 1.00 0.00 N ATOM 0 H ASN A 86 -10.295 -8.917 -8.375 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.639 -8.790 -7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.463 -10.983 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.166 -10.838 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.888 -11.566 -11.847 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.855 -11.514 -10.415 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.179 -8.130 -9.512 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.353 -7.585 -10.576 1.00 0.00 C ATOM 1383 C ARG A 87 -5.833 -6.183 -10.955 1.00 0.00 C ATOM 1384 O ARG A 87 -6.278 -5.958 -12.079 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.390 -8.481 -11.816 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.120 -9.329 -11.917 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.531 -9.268 -13.328 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.766 -10.503 -13.610 1.00 0.00 N ATOM 1389 CZ ARG A 87 -1.986 -10.674 -14.687 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -1.864 -9.690 -15.588 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.328 -11.828 -14.861 1.00 0.00 N ATOM 0 H ARG A 87 -5.690 -8.289 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.328 -7.535 -10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.264 -9.131 -11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.494 -7.867 -12.710 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.383 -8.975 -11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.347 -10.363 -11.658 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.330 -9.150 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.881 -8.398 -13.423 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.837 -11.272 -12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.364 -8.811 -15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.271 -9.820 -16.408 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.420 -12.576 -14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.735 -11.958 -15.680 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.726 -5.276 -9.995 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.143 -3.901 -10.214 1.00 0.00 C ATOM 1407 C ASP A 88 -5.006 -2.958 -9.817 1.00 0.00 C ATOM 1408 O ASP A 88 -4.122 -3.335 -9.049 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.365 -3.554 -9.361 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.706 -4.015 -9.934 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.763 -5.183 -10.376 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.644 -3.189 -9.918 1.00 0.00 O ATOM 0 H ASP A 88 -5.357 -5.466 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.395 -3.789 -11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.237 -3.997 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.398 -2.473 -9.223 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.065 -1.750 -10.358 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.051 -0.750 -10.069 1.00 0.00 C ATOM 1419 C GLU A 89 -4.654 0.399 -9.259 1.00 0.00 C ATOM 1420 O GLU A 89 -5.681 0.959 -9.640 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.408 -0.234 -11.358 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.851 -1.389 -12.194 1.00 0.00 C ATOM 1423 CD GLU A 89 -1.984 -0.867 -13.341 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -0.789 -0.611 -13.078 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -2.535 -0.736 -14.455 1.00 0.00 O ATOM 0 H GLU A 89 -5.799 -1.441 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.267 -1.217 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.145 0.319 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.606 0.463 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.261 -2.051 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.673 -1.982 -12.595 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.990 0.716 -8.157 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.448 1.788 -7.290 1.00 0.00 C ATOM 1434 C VAL A 90 -3.471 2.962 -7.380 1.00 0.00 C ATOM 1435 O VAL A 90 -2.289 2.771 -7.660 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.627 1.267 -5.863 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.414 2.385 -4.840 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -6.000 0.616 -5.686 1.00 0.00 C ATOM 0 H VAL A 90 -3.139 0.249 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.424 2.151 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.869 0.504 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.547 1.988 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.405 2.784 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.138 3.181 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.102 0.254 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.780 1.350 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.098 -0.220 -6.378 1.00 0.00 H new ATOM 1448 N SER A 91 -4.001 4.152 -7.135 1.00 0.00 N ATOM 1449 CA SER A 91 -3.191 5.357 -7.185 1.00 0.00 C ATOM 1450 C SER A 91 -3.065 5.961 -5.785 1.00 0.00 C ATOM 1451 O SER A 91 -3.803 5.586 -4.875 1.00 0.00 O ATOM 1452 CB SER A 91 -3.785 6.381 -8.153 1.00 0.00 C ATOM 1453 OG SER A 91 -5.171 6.151 -8.389 1.00 0.00 O ATOM 0 H SER A 91 -4.982 4.307 -6.901 1.00 0.00 H new ATOM 0 HA SER A 91 -2.199 5.087 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.648 7.384 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.245 6.342 -9.099 1.00 0.00 H new ATOM 0 HG SER A 91 -5.514 6.827 -9.011 1.00 0.00 H new ATOM 1459 N PHE A 92 -2.126 6.887 -5.656 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.895 7.546 -4.382 1.00 0.00 C ATOM 1461 C PHE A 92 -2.234 9.036 -4.466 1.00 0.00 C ATOM 1462 O PHE A 92 -1.700 9.751 -5.313 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.407 7.392 -4.062 1.00 0.00 C ATOM 1464 CG PHE A 92 -0.100 6.291 -3.044 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.631 5.049 -3.205 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.703 6.555 -1.979 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.346 4.028 -2.260 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.988 5.534 -1.034 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.457 4.292 -1.195 1.00 0.00 C ATOM 0 H PHE A 92 -1.516 7.196 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.525 7.100 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.133 7.180 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.028 8.340 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.269 4.840 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.124 7.541 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.767 3.042 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.626 5.743 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.673 3.515 -0.477 1.00 0.00 H new ATOM 1479 N ILE A 93 -3.121 9.459 -3.577 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.538 10.850 -3.541 1.00 0.00 C ATOM 1481 C ILE A 93 -2.893 11.540 -2.337 1.00 0.00 C ATOM 1482 O ILE A 93 -2.409 10.875 -1.422 1.00 0.00 O ATOM 1483 CB ILE A 93 -5.064 10.953 -3.563 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.513 12.374 -3.908 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.666 10.467 -2.243 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.733 12.355 -4.832 1.00 0.00 C ATOM 0 H ILE A 93 -3.562 8.863 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.193 11.374 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.439 10.297 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.754 12.915 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.696 12.910 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.752 10.551 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.389 9.426 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.287 11.078 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.031 13.378 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.482 11.834 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.556 11.839 -4.337 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.906 12.864 -2.377 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.328 13.651 -1.301 1.00 0.00 C ATOM 1500 C LYS A 94 -3.450 14.318 -0.502 1.00 0.00 C ATOM 1501 O LYS A 94 -4.581 14.417 -0.978 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.296 14.637 -1.852 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.579 15.372 -0.718 1.00 0.00 C ATOM 1504 CD LYS A 94 0.715 16.018 -1.216 1.00 0.00 C ATOM 1505 CE LYS A 94 1.588 16.472 -0.044 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.425 17.627 -0.438 1.00 0.00 N ATOM 0 H LYS A 94 -3.308 13.412 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.783 13.008 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.567 14.103 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.789 15.359 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.235 16.137 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.354 14.674 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.267 15.307 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.478 16.872 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.958 16.744 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.224 15.649 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.011 17.922 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.040 17.355 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.813 18.416 -0.729 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.099 14.757 0.697 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.063 15.412 1.566 1.00 0.00 C ATOM 1522 C LYS A 95 -3.979 16.926 1.364 1.00 0.00 C ATOM 1523 O LYS A 95 -4.378 17.695 2.238 1.00 0.00 O ATOM 1524 CB LYS A 95 -3.861 14.972 3.017 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.673 13.713 3.327 1.00 0.00 C ATOM 1526 CD LYS A 95 -4.978 13.611 4.823 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.432 13.987 5.113 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.526 14.765 6.368 1.00 0.00 N ATOM 0 H LYS A 95 -2.161 14.672 1.088 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.078 15.112 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.803 14.781 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.160 15.776 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.605 13.729 2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.120 12.831 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.785 12.595 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.311 14.269 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.835 14.571 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.038 13.085 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.520 15.012 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.161 14.195 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.964 15.635 6.280 1.00 0.00 H new