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 180:sc= 0 (180deg=0) 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= -0.828 (180deg=-2.09!) USER MOD Single : A 26 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 27 ASN : amide:sc= -0.423 K(o=-0.42,f=-6.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= -1.2 (180deg=-3.6!) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-0.718) USER MOD Single : A 38 GLN : amide:sc= -0.747! C(o=-0.75!,f=-3.4!) USER MOD Single : A 40 TYR OH : rot 130:sc= -1.25 USER MOD Single : A 42 GLN : amide:sc= -0.215 K(o=-0.22,f=-2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.42) 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 9:sc= 0.92 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.341 K(o=-0.34,f=-3.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.607! USER MOD Single : A 67 SER OG : rot 130:sc= -0.637 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00236 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 -54:sc= 0.412 USER MOD Single : A 86 ASN : amide:sc= 0.0902 K(o=0.09,f=-9.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 0.057 (180deg=0.0102) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.148 -14.483 -2.708 1.00 0.00 N ATOM 60 CA GLY A 7 -5.743 -13.095 -2.567 1.00 0.00 C ATOM 61 C GLY A 7 -5.766 -12.377 -3.918 1.00 0.00 C ATOM 62 O GLY A 7 -6.333 -12.883 -4.885 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.409 -12.587 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.740 -13.046 -2.142 1.00 0.00 H new ATOM 66 N MET A 8 -5.142 -11.208 -3.941 1.00 0.00 N ATOM 67 CA MET A 8 -5.084 -10.415 -5.157 1.00 0.00 C ATOM 68 C MET A 8 -3.826 -9.544 -5.183 1.00 0.00 C ATOM 69 O MET A 8 -3.272 -9.215 -4.135 1.00 0.00 O ATOM 70 CB MET A 8 -6.324 -9.524 -5.246 1.00 0.00 C ATOM 71 CG MET A 8 -6.543 -8.756 -3.941 1.00 0.00 C ATOM 72 SD MET A 8 -8.279 -8.736 -3.528 1.00 0.00 S ATOM 73 CE MET A 8 -8.821 -7.363 -4.531 1.00 0.00 C ATOM 0 H MET A 8 -4.672 -10.791 -3.137 1.00 0.00 H new ATOM 0 HA MET A 8 -5.052 -11.093 -6.010 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.212 -8.821 -6.071 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.200 -10.135 -5.464 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.975 -9.222 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.173 -7.736 -4.044 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.891 -7.211 -4.392 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.285 -6.462 -4.234 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.618 -7.577 -5.580 1.00 0.00 H new ATOM 83 N THR A 9 -3.412 -9.194 -6.393 1.00 0.00 N ATOM 84 CA THR A 9 -2.231 -8.368 -6.569 1.00 0.00 C ATOM 85 C THR A 9 -2.631 -6.924 -6.882 1.00 0.00 C ATOM 86 O THR A 9 -3.010 -6.612 -8.010 1.00 0.00 O ATOM 87 CB THR A 9 -1.365 -9.007 -7.657 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.709 -10.083 -6.990 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.221 -8.095 -8.106 1.00 0.00 C ATOM 0 H THR A 9 -3.874 -9.468 -7.260 1.00 0.00 H new ATOM 0 HA THR A 9 -1.644 -8.318 -5.652 1.00 0.00 H new ATOM 0 HB THR A 9 -1.987 -9.258 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.127 -10.554 -7.623 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.362 -8.596 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.631 -7.167 -8.505 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.421 -7.871 -7.254 1.00 0.00 H new ATOM 97 N VAL A 10 -2.535 -6.083 -5.863 1.00 0.00 N ATOM 98 CA VAL A 10 -2.882 -4.681 -6.015 1.00 0.00 C ATOM 99 C VAL A 10 -1.607 -3.865 -6.240 1.00 0.00 C ATOM 100 O VAL A 10 -0.707 -3.870 -5.403 1.00 0.00 O ATOM 101 CB VAL A 10 -3.688 -4.207 -4.804 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.018 -2.717 -4.913 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.961 -5.039 -4.633 1.00 0.00 C ATOM 0 H VAL A 10 -2.222 -6.346 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.518 -4.538 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.072 -4.349 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.591 -2.406 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.093 -2.142 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.605 -2.539 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.515 -4.682 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.581 -4.943 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.695 -6.086 -4.487 1.00 0.00 H new ATOM 113 N ARG A 11 -1.572 -3.184 -7.376 1.00 0.00 N ATOM 114 CA ARG A 11 -0.422 -2.365 -7.722 1.00 0.00 C ATOM 115 C ARG A 11 -0.595 -0.948 -7.172 1.00 0.00 C ATOM 116 O ARG A 11 -1.710 -0.431 -7.119 1.00 0.00 O ATOM 117 CB ARG A 11 -0.232 -2.297 -9.239 1.00 0.00 C ATOM 118 CG ARG A 11 0.195 -3.655 -9.800 1.00 0.00 C ATOM 119 CD ARG A 11 0.663 -3.526 -11.251 1.00 0.00 C ATOM 120 NE ARG A 11 0.309 -4.748 -12.007 1.00 0.00 N ATOM 121 CZ ARG A 11 0.929 -5.928 -11.861 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.937 -6.051 -10.987 1.00 0.00 N ATOM 123 NH2 ARG A 11 0.540 -6.983 -12.590 1.00 0.00 N ATOM 0 H ARG A 11 -2.321 -3.182 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 11 0.460 -2.825 -7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.162 -1.980 -9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.520 -1.547 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.999 -4.068 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.639 -4.354 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.201 -2.655 -11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.741 -3.369 -11.282 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.454 -4.689 -12.681 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.233 -5.247 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.409 -6.948 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.227 -6.888 -13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.011 -7.881 -12.479 1.00 0.00 H new ATOM 137 N VAL A 12 0.525 -0.361 -6.777 1.00 0.00 N ATOM 138 CA VAL A 12 0.511 0.986 -6.233 1.00 0.00 C ATOM 139 C VAL A 12 1.273 1.920 -7.176 1.00 0.00 C ATOM 140 O VAL A 12 2.325 1.557 -7.699 1.00 0.00 O ATOM 141 CB VAL A 12 1.076 0.982 -4.811 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.345 2.407 -4.324 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.141 0.242 -3.852 1.00 0.00 C ATOM 0 H VAL A 12 1.448 -0.793 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.511 1.358 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 12 2.027 0.449 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.746 2.376 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.066 2.887 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.415 2.975 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.566 0.254 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.832 0.734 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.022 -0.790 -4.184 1.00 0.00 H new ATOM 153 N CYS A 13 0.712 3.105 -7.364 1.00 0.00 N ATOM 154 CA CYS A 13 1.325 4.094 -8.235 1.00 0.00 C ATOM 155 C CYS A 13 1.981 5.164 -7.360 1.00 0.00 C ATOM 156 O CYS A 13 1.375 6.196 -7.075 1.00 0.00 O ATOM 157 CB CYS A 13 0.311 4.697 -9.209 1.00 0.00 C ATOM 158 SG CYS A 13 1.180 5.437 -10.639 1.00 0.00 S ATOM 0 H CYS A 13 -0.161 3.403 -6.928 1.00 0.00 H new ATOM 0 HA CYS A 13 2.084 3.616 -8.854 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.379 3.926 -9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.285 5.456 -8.703 1.00 0.00 H new ATOM 0 HG CYS A 13 0.310 5.944 -11.461 1.00 0.00 H new ATOM 164 N LYS A 14 3.211 4.881 -6.957 1.00 0.00 N ATOM 165 CA LYS A 14 3.956 5.806 -6.120 1.00 0.00 C ATOM 166 C LYS A 14 4.038 7.165 -6.818 1.00 0.00 C ATOM 167 O LYS A 14 3.864 7.255 -8.032 1.00 0.00 O ATOM 168 CB LYS A 14 5.321 5.219 -5.755 1.00 0.00 C ATOM 169 CG LYS A 14 5.171 4.047 -4.782 1.00 0.00 C ATOM 170 CD LYS A 14 6.362 3.974 -3.825 1.00 0.00 C ATOM 171 CE LYS A 14 7.607 3.444 -4.539 1.00 0.00 C ATOM 172 NZ LYS A 14 8.821 4.132 -4.043 1.00 0.00 N ATOM 0 H LYS A 14 3.710 4.024 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 14 3.439 5.963 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.830 4.883 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.945 5.992 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.248 4.158 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.091 3.114 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.566 4.964 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.118 3.326 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.698 2.370 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.509 3.596 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.657 3.761 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.738 5.153 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.921 3.966 -3.021 1.00 0.00 H new ATOM 237 N VAL A 19 6.155 1.114 -9.413 1.00 0.00 N ATOM 238 CA VAL A 19 4.984 0.392 -8.947 1.00 0.00 C ATOM 239 C VAL A 19 5.421 -0.715 -7.985 1.00 0.00 C ATOM 240 O VAL A 19 6.568 -1.156 -8.021 1.00 0.00 O ATOM 241 CB VAL A 19 4.185 -0.136 -10.141 1.00 0.00 C ATOM 242 CG1 VAL A 19 3.016 -1.007 -9.677 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.695 1.014 -11.024 1.00 0.00 C ATOM 0 HA VAL A 19 4.320 1.058 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 19 4.850 -0.759 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.465 -1.369 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.398 -1.856 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.351 -0.418 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.130 0.612 -11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.054 1.674 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.551 1.576 -11.397 1.00 0.00 H new ATOM 253 N MET A 20 4.483 -1.131 -7.147 1.00 0.00 N ATOM 254 CA MET A 20 4.757 -2.177 -6.176 1.00 0.00 C ATOM 255 C MET A 20 3.576 -3.144 -6.064 1.00 0.00 C ATOM 256 O MET A 20 2.457 -2.730 -5.764 1.00 0.00 O ATOM 257 CB MET A 20 5.033 -1.547 -4.810 1.00 0.00 C ATOM 258 CG MET A 20 6.530 -1.303 -4.611 1.00 0.00 C ATOM 259 SD MET A 20 6.786 -0.101 -3.316 1.00 0.00 S ATOM 260 CE MET A 20 5.399 -0.485 -2.259 1.00 0.00 C ATOM 0 H MET A 20 3.532 -0.763 -7.120 1.00 0.00 H new ATOM 0 HA MET A 20 5.630 -2.737 -6.510 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.493 -0.604 -4.725 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.660 -2.201 -4.022 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.028 -2.238 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.976 -0.949 -5.540 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.538 -0.008 -1.289 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.480 -0.117 -2.716 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.331 -1.565 -2.126 1.00 0.00 H new ATOM 270 N PRO A 21 3.873 -4.446 -6.317 1.00 0.00 N ATOM 271 CA PRO A 21 2.849 -5.475 -6.247 1.00 0.00 C ATOM 272 C PRO A 21 2.498 -5.801 -4.794 1.00 0.00 C ATOM 273 O PRO A 21 3.293 -6.413 -4.081 1.00 0.00 O ATOM 274 CB PRO A 21 3.432 -6.661 -6.998 1.00 0.00 C ATOM 275 CG PRO A 21 4.931 -6.421 -7.058 1.00 0.00 C ATOM 276 CD PRO A 21 5.187 -4.973 -6.674 1.00 0.00 C ATOM 0 HA PRO A 21 1.906 -5.162 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.207 -7.596 -6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.008 -6.736 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.453 -7.094 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.310 -6.623 -8.060 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.883 -4.902 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.626 -4.416 -7.502 1.00 0.00 H new ATOM 284 N VAL A 22 1.307 -5.379 -4.398 1.00 0.00 N ATOM 285 CA VAL A 22 0.840 -5.618 -3.042 1.00 0.00 C ATOM 286 C VAL A 22 -0.163 -6.773 -3.050 1.00 0.00 C ATOM 287 O VAL A 22 -0.861 -6.988 -4.040 1.00 0.00 O ATOM 288 CB VAL A 22 0.265 -4.330 -2.451 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.307 -4.575 -1.053 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.318 -3.220 -2.427 1.00 0.00 C ATOM 0 H VAL A 22 0.650 -4.873 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 22 1.669 -5.912 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.552 -4.002 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.709 -3.643 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.102 -5.318 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.483 -4.939 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.883 -2.315 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.166 -3.536 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.656 -3.017 -3.443 1.00 0.00 H new ATOM 300 N VAL A 23 -0.205 -7.486 -1.933 1.00 0.00 N ATOM 301 CA VAL A 23 -1.112 -8.613 -1.799 1.00 0.00 C ATOM 302 C VAL A 23 -2.137 -8.309 -0.705 1.00 0.00 C ATOM 303 O VAL A 23 -1.836 -7.600 0.254 1.00 0.00 O ATOM 304 CB VAL A 23 -0.318 -9.894 -1.535 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.458 -9.798 -0.220 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.236 -11.119 -1.541 1.00 0.00 C ATOM 0 H VAL A 23 0.374 -7.305 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.663 -8.773 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 23 0.405 -10.012 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.013 -10.722 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.153 -8.960 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.239 -9.644 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.647 -12.016 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.993 -11.010 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.723 -11.204 -2.512 1.00 0.00 H new ATOM 316 N VAL A 24 -3.328 -8.861 -0.885 1.00 0.00 N ATOM 317 CA VAL A 24 -4.400 -8.658 0.074 1.00 0.00 C ATOM 318 C VAL A 24 -5.435 -9.774 -0.080 1.00 0.00 C ATOM 319 O VAL A 24 -5.373 -10.557 -1.026 1.00 0.00 O ATOM 320 CB VAL A 24 -4.999 -7.260 -0.098 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.071 -6.191 0.485 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.310 -6.974 -1.568 1.00 0.00 C ATOM 0 H VAL A 24 -3.574 -9.449 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.015 -8.709 1.093 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.938 -7.227 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.520 -5.207 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.922 -6.379 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.110 -6.225 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.735 -5.975 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.392 -7.035 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.025 -7.708 -1.938 1.00 0.00 H new ATOM 332 N VAL A 25 -6.363 -9.811 0.865 1.00 0.00 N ATOM 333 CA VAL A 25 -7.410 -10.819 0.846 1.00 0.00 C ATOM 334 C VAL A 25 -8.451 -10.447 -0.212 1.00 0.00 C ATOM 335 O VAL A 25 -8.750 -9.270 -0.406 1.00 0.00 O ATOM 336 CB VAL A 25 -8.010 -10.976 2.245 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.932 -11.349 3.265 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.752 -9.707 2.670 1.00 0.00 C ATOM 0 H VAL A 25 -6.412 -9.160 1.648 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.000 -11.791 0.571 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.734 -11.790 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.385 -11.454 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.468 -12.292 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.174 -10.566 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.168 -9.846 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.058 -8.866 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.558 -9.504 1.965 1.00 0.00 H new ATOM 348 N GLN A 26 -8.974 -11.473 -0.868 1.00 0.00 N ATOM 349 CA GLN A 26 -9.974 -11.268 -1.901 1.00 0.00 C ATOM 350 C GLN A 26 -10.969 -10.188 -1.471 1.00 0.00 C ATOM 351 O GLN A 26 -11.368 -9.350 -2.278 1.00 0.00 O ATOM 352 CB GLN A 26 -10.695 -12.576 -2.233 1.00 0.00 C ATOM 353 CG GLN A 26 -10.670 -12.850 -3.738 1.00 0.00 C ATOM 354 CD GLN A 26 -11.850 -13.731 -4.155 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.830 -13.878 -3.443 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.702 -14.306 -5.345 1.00 0.00 N ATOM 0 H GLN A 26 -8.724 -12.448 -0.704 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.469 -10.929 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.221 -13.401 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.727 -12.524 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.705 -11.907 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.734 -13.339 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.856 -14.140 -5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.435 -14.913 -5.713 1.00 0.00 H new ATOM 365 N ASN A 27 -11.340 -10.243 -0.200 1.00 0.00 N ATOM 366 CA ASN A 27 -12.280 -9.280 0.347 1.00 0.00 C ATOM 367 C ASN A 27 -11.543 -8.340 1.303 1.00 0.00 C ATOM 368 O ASN A 27 -11.983 -8.127 2.432 1.00 0.00 O ATOM 369 CB ASN A 27 -13.390 -9.979 1.134 1.00 0.00 C ATOM 370 CG ASN A 27 -14.181 -10.933 0.236 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.722 -11.371 -0.806 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.393 -11.230 0.697 1.00 0.00 N ATOM 0 H ASN A 27 -11.006 -10.940 0.466 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.720 -8.729 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.957 -10.533 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.062 -9.235 1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.999 -11.859 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.716 -10.829 1.577 1.00 0.00 H new ATOM 379 N ALA A 28 -10.434 -7.803 0.816 1.00 0.00 N ATOM 380 CA ALA A 28 -9.631 -6.892 1.613 1.00 0.00 C ATOM 381 C ALA A 28 -10.338 -5.538 1.699 1.00 0.00 C ATOM 382 O ALA A 28 -11.384 -5.340 1.082 1.00 0.00 O ATOM 383 CB ALA A 28 -8.231 -6.781 1.008 1.00 0.00 C ATOM 0 H ALA A 28 -10.073 -7.982 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.517 -7.270 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.629 -6.097 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.760 -7.764 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.304 -6.402 -0.012 1.00 0.00 H new ATOM 389 N THR A 29 -9.739 -4.640 2.468 1.00 0.00 N ATOM 390 CA THR A 29 -10.299 -3.311 2.641 1.00 0.00 C ATOM 391 C THR A 29 -9.222 -2.246 2.423 1.00 0.00 C ATOM 392 O THR A 29 -8.090 -2.568 2.065 1.00 0.00 O ATOM 393 CB THR A 29 -10.945 -3.247 4.027 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.840 -3.279 4.927 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.736 -4.512 4.363 1.00 0.00 C ATOM 0 H THR A 29 -8.872 -4.807 2.978 1.00 0.00 H new ATOM 0 HA THR A 29 -11.069 -3.106 1.897 1.00 0.00 H new ATOM 0 HB THR A 29 -11.605 -2.381 4.080 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.168 -3.240 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.173 -4.414 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.530 -4.650 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.069 -5.374 4.343 1.00 0.00 H new ATOM 403 N VAL A 30 -9.612 -1.000 2.648 1.00 0.00 N ATOM 404 CA VAL A 30 -8.694 0.113 2.481 1.00 0.00 C ATOM 405 C VAL A 30 -7.524 -0.045 3.453 1.00 0.00 C ATOM 406 O VAL A 30 -6.364 0.054 3.056 1.00 0.00 O ATOM 407 CB VAL A 30 -9.441 1.438 2.655 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.485 2.626 2.533 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.591 1.554 1.653 1.00 0.00 C ATOM 0 H VAL A 30 -10.552 -0.737 2.945 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.280 0.118 1.473 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.868 1.453 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.041 3.555 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.716 2.555 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.016 2.616 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.105 2.504 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.196 1.506 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.293 0.734 1.808 1.00 0.00 H new ATOM 419 N LEU A 31 -7.868 -0.289 4.709 1.00 0.00 N ATOM 420 CA LEU A 31 -6.861 -0.463 5.742 1.00 0.00 C ATOM 421 C LEU A 31 -5.858 -1.528 5.295 1.00 0.00 C ATOM 422 O LEU A 31 -4.655 -1.274 5.254 1.00 0.00 O ATOM 423 CB LEU A 31 -7.520 -0.765 7.089 1.00 0.00 C ATOM 424 CG LEU A 31 -7.217 0.219 8.220 1.00 0.00 C ATOM 425 CD1 LEU A 31 -7.682 -0.335 9.568 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.735 0.597 8.236 1.00 0.00 C ATOM 0 H LEU A 31 -8.831 -0.370 5.035 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.302 0.461 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.600 -0.799 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.210 -1.760 7.407 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.780 1.134 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.455 0.384 10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.757 -0.512 9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.166 -1.273 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.547 1.298 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.132 -0.299 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.468 1.063 7.287 1.00 0.00 H new ATOM 438 N ASP A 32 -6.389 -2.698 4.973 1.00 0.00 N ATOM 439 CA ASP A 32 -5.555 -3.803 4.531 1.00 0.00 C ATOM 440 C ASP A 32 -4.516 -3.285 3.535 1.00 0.00 C ATOM 441 O ASP A 32 -3.318 -3.503 3.713 1.00 0.00 O ATOM 442 CB ASP A 32 -6.390 -4.876 3.828 1.00 0.00 C ATOM 443 CG ASP A 32 -5.820 -6.293 3.909 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.657 -6.775 5.051 1.00 0.00 O ATOM 445 OD2 ASP A 32 -5.560 -6.863 2.827 1.00 0.00 O ATOM 0 H ASP A 32 -7.387 -2.905 5.009 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.076 -4.236 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.391 -4.878 4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.497 -4.603 2.778 1.00 0.00 H new ATOM 450 N LEU A 33 -5.011 -2.609 2.509 1.00 0.00 N ATOM 451 CA LEU A 33 -4.140 -2.058 1.485 1.00 0.00 C ATOM 452 C LEU A 33 -2.873 -1.506 2.142 1.00 0.00 C ATOM 453 O LEU A 33 -1.796 -2.082 2.002 1.00 0.00 O ATOM 454 CB LEU A 33 -4.892 -1.030 0.638 1.00 0.00 C ATOM 455 CG LEU A 33 -4.417 -0.875 -0.808 1.00 0.00 C ATOM 456 CD1 LEU A 33 -2.996 -0.311 -0.861 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.537 -2.197 -1.569 1.00 0.00 C ATOM 0 H LEU A 33 -6.005 -2.430 2.365 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.826 -2.838 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.948 -1.302 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.818 -0.060 1.130 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.068 -0.156 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.683 -0.211 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.974 0.667 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.317 -0.986 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.193 -2.059 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.926 -2.955 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.578 -2.520 -1.576 1.00 0.00 H new ATOM 469 N LYS A 34 -3.045 -0.395 2.844 1.00 0.00 N ATOM 470 CA LYS A 34 -1.930 0.242 3.522 1.00 0.00 C ATOM 471 C LYS A 34 -1.117 -0.821 4.265 1.00 0.00 C ATOM 472 O LYS A 34 0.078 -0.977 4.021 1.00 0.00 O ATOM 473 CB LYS A 34 -2.426 1.376 4.421 1.00 0.00 C ATOM 474 CG LYS A 34 -3.245 2.391 3.621 1.00 0.00 C ATOM 475 CD LYS A 34 -4.741 2.231 3.902 1.00 0.00 C ATOM 476 CE LYS A 34 -5.332 3.521 4.474 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.548 3.228 5.265 1.00 0.00 N ATOM 0 H LYS A 34 -3.941 0.080 2.957 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.261 0.709 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.035 0.966 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.576 1.875 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.929 3.402 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.055 2.259 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.261 1.965 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.897 1.412 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.594 4.019 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.575 4.207 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.294 3.909 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.876 2.264 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.329 3.305 6.279 1.00 0.00 H new ATOM 491 N LYS A 35 -1.799 -1.524 5.158 1.00 0.00 N ATOM 492 CA LYS A 35 -1.155 -2.567 5.938 1.00 0.00 C ATOM 493 C LYS A 35 -0.266 -3.409 5.021 1.00 0.00 C ATOM 494 O LYS A 35 0.905 -3.637 5.323 1.00 0.00 O ATOM 495 CB LYS A 35 -2.198 -3.385 6.703 1.00 0.00 C ATOM 496 CG LYS A 35 -2.977 -2.502 7.681 1.00 0.00 C ATOM 497 CD LYS A 35 -3.914 -3.342 8.550 1.00 0.00 C ATOM 498 CE LYS A 35 -4.480 -2.514 9.706 1.00 0.00 C ATOM 499 NZ LYS A 35 -3.390 -2.045 10.590 1.00 0.00 N ATOM 0 H LYS A 35 -2.790 -1.392 5.358 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.507 -2.129 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.888 -3.851 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.706 -4.191 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.281 -1.954 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.555 -1.762 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.731 -3.729 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.375 -4.203 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.031 -1.659 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.188 -3.114 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.773 -1.839 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.662 -2.784 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.967 -1.182 10.192 1.00 0.00 H new ATOM 513 N ALA A 36 -0.855 -3.849 3.919 1.00 0.00 N ATOM 514 CA ALA A 36 -0.131 -4.661 2.956 1.00 0.00 C ATOM 515 C ALA A 36 1.115 -3.904 2.493 1.00 0.00 C ATOM 516 O ALA A 36 2.238 -4.313 2.786 1.00 0.00 O ATOM 517 CB ALA A 36 -1.058 -5.023 1.794 1.00 0.00 C ATOM 0 H ALA A 36 -1.826 -3.658 3.671 1.00 0.00 H new ATOM 0 HA ALA A 36 0.200 -5.594 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.515 -5.632 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.913 -5.584 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.408 -4.111 1.310 1.00 0.00 H new ATOM 523 N ILE A 37 0.876 -2.815 1.777 1.00 0.00 N ATOM 524 CA ILE A 37 1.966 -1.998 1.271 1.00 0.00 C ATOM 525 C ILE A 37 3.059 -1.896 2.336 1.00 0.00 C ATOM 526 O ILE A 37 4.241 -1.800 2.010 1.00 0.00 O ATOM 527 CB ILE A 37 1.442 -0.642 0.795 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.496 -0.806 -0.396 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.596 0.313 0.483 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.242 0.501 -0.694 1.00 0.00 C ATOM 0 H ILE A 37 -0.056 -2.479 1.535 1.00 0.00 H new ATOM 0 HA ILE A 37 2.417 -2.465 0.395 1.00 0.00 H new ATOM 0 HB ILE A 37 0.865 -0.196 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.062 -1.117 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.226 -1.596 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.196 1.270 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.195 0.466 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.220 -0.115 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.908 0.357 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.826 0.796 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.481 1.282 -0.928 1.00 0.00 H new ATOM 542 N GLN A 38 2.625 -1.921 3.588 1.00 0.00 N ATOM 543 CA GLN A 38 3.552 -1.833 4.703 1.00 0.00 C ATOM 544 C GLN A 38 4.269 -3.169 4.904 1.00 0.00 C ATOM 545 O GLN A 38 5.494 -3.210 5.016 1.00 0.00 O ATOM 546 CB GLN A 38 2.832 -1.399 5.981 1.00 0.00 C ATOM 547 CG GLN A 38 3.091 0.079 6.282 1.00 0.00 C ATOM 548 CD GLN A 38 2.556 0.459 7.664 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.744 1.356 7.819 1.00 0.00 O ATOM 550 NE2 GLN A 38 3.055 -0.272 8.657 1.00 0.00 N ATOM 0 H GLN A 38 1.644 -2.001 3.854 1.00 0.00 H new ATOM 0 HA GLN A 38 4.299 -1.074 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.761 -1.570 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.171 -2.009 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.161 0.282 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.615 0.698 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.732 -1.008 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.761 -0.096 9.618 1.00 0.00 H new ATOM 559 N ARG A 39 3.476 -4.230 4.945 1.00 0.00 N ATOM 560 CA ARG A 39 4.020 -5.564 5.130 1.00 0.00 C ATOM 561 C ARG A 39 4.867 -5.965 3.921 1.00 0.00 C ATOM 562 O ARG A 39 5.551 -6.988 3.949 1.00 0.00 O ATOM 563 CB ARG A 39 2.904 -6.592 5.326 1.00 0.00 C ATOM 564 CG ARG A 39 2.843 -7.065 6.780 1.00 0.00 C ATOM 565 CD ARG A 39 3.569 -8.401 6.953 1.00 0.00 C ATOM 566 NE ARG A 39 2.610 -9.519 6.814 1.00 0.00 N ATOM 567 CZ ARG A 39 2.946 -10.813 6.907 1.00 0.00 C ATOM 568 NH1 ARG A 39 4.220 -11.159 7.139 1.00 0.00 N ATOM 569 NH2 ARG A 39 2.009 -11.761 6.768 1.00 0.00 N ATOM 0 H ARG A 39 2.461 -4.192 4.853 1.00 0.00 H new ATOM 0 HA ARG A 39 4.643 -5.546 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.947 -6.154 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.071 -7.445 4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.294 -6.315 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.803 -7.170 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.359 -8.494 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.047 -8.441 7.932 1.00 0.00 H new ATOM 0 HE ARG A 39 1.632 -9.291 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.933 -10.438 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.476 -12.144 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.040 -11.498 6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.265 -12.746 6.839 1.00 0.00 H new ATOM 583 N TYR A 40 4.794 -5.139 2.887 1.00 0.00 N ATOM 584 CA TYR A 40 5.546 -5.395 1.670 1.00 0.00 C ATOM 585 C TYR A 40 6.966 -4.837 1.776 1.00 0.00 C ATOM 586 O TYR A 40 7.912 -5.438 1.269 1.00 0.00 O ATOM 587 CB TYR A 40 4.803 -4.659 0.554 1.00 0.00 C ATOM 588 CG TYR A 40 5.540 -4.655 -0.787 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.624 -3.822 -0.976 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.122 -5.485 -1.807 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.318 -3.818 -2.237 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.816 -5.482 -3.069 1.00 0.00 C ATOM 593 CZ TYR A 40 6.880 -4.648 -3.222 1.00 0.00 C ATOM 594 OH TYR A 40 7.535 -4.644 -4.413 1.00 0.00 O ATOM 0 H TYR A 40 4.226 -4.292 2.867 1.00 0.00 H new ATOM 0 HA TYR A 40 5.624 -6.466 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.825 -5.120 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.630 -3.629 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.952 -3.173 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.274 -6.137 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.167 -3.171 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.499 -6.127 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 40 7.753 -5.564 -4.670 1.00 0.00 H new ATOM 604 N VAL A 41 7.071 -3.693 2.436 1.00 0.00 N ATOM 605 CA VAL A 41 8.360 -3.047 2.614 1.00 0.00 C ATOM 606 C VAL A 41 8.962 -3.479 3.953 1.00 0.00 C ATOM 607 O VAL A 41 10.176 -3.634 4.071 1.00 0.00 O ATOM 608 CB VAL A 41 8.207 -1.530 2.490 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.470 -0.810 2.968 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.858 -1.130 1.055 1.00 0.00 C ATOM 0 H VAL A 41 6.284 -3.197 2.854 1.00 0.00 H new ATOM 0 HA VAL A 41 9.053 -3.356 1.831 1.00 0.00 H new ATOM 0 HB VAL A 41 7.383 -1.223 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.334 0.267 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.657 -1.058 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.320 -1.126 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.755 -0.047 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.651 -1.457 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.919 -1.601 0.764 1.00 0.00 H new ATOM 620 N GLN A 42 8.084 -3.663 4.928 1.00 0.00 N ATOM 621 CA GLN A 42 8.513 -4.074 6.254 1.00 0.00 C ATOM 622 C GLN A 42 9.070 -5.499 6.214 1.00 0.00 C ATOM 623 O GLN A 42 10.264 -5.709 6.419 1.00 0.00 O ATOM 624 CB GLN A 42 7.367 -3.962 7.261 1.00 0.00 C ATOM 625 CG GLN A 42 7.897 -3.655 8.663 1.00 0.00 C ATOM 626 CD GLN A 42 7.949 -4.922 9.519 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.216 -5.874 9.310 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.855 -4.881 10.492 1.00 0.00 N ATOM 0 H GLN A 42 7.077 -3.535 4.826 1.00 0.00 H new ATOM 0 HA GLN A 42 9.307 -3.403 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.679 -3.177 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.801 -4.893 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.893 -3.219 8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.258 -2.914 9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.437 -4.052 10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.968 -5.678 11.118 1.00 0.00 H new ATOM 637 N LEU A 43 8.177 -6.441 5.947 1.00 0.00 N ATOM 638 CA LEU A 43 8.564 -7.840 5.877 1.00 0.00 C ATOM 639 C LEU A 43 9.804 -7.978 4.992 1.00 0.00 C ATOM 640 O LEU A 43 10.747 -8.685 5.345 1.00 0.00 O ATOM 641 CB LEU A 43 7.384 -8.700 5.420 1.00 0.00 C ATOM 642 CG LEU A 43 7.336 -9.036 3.928 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.447 -10.017 3.551 1.00 0.00 C ATOM 644 CD2 LEU A 43 5.953 -9.553 3.526 1.00 0.00 C ATOM 0 H LEU A 43 7.187 -6.263 5.777 1.00 0.00 H new ATOM 0 HA LEU A 43 8.835 -8.210 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.402 -9.634 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.461 -8.185 5.686 1.00 0.00 H new ATOM 0 HG LEU A 43 7.512 -8.119 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.390 -10.239 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.416 -9.574 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.327 -10.939 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.946 -9.784 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.722 -10.454 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.204 -8.790 3.736 1.00 0.00 H new ATOM 656 N LYS A 44 9.763 -7.292 3.859 1.00 0.00 N ATOM 657 CA LYS A 44 10.872 -7.329 2.921 1.00 0.00 C ATOM 658 C LYS A 44 12.162 -6.945 3.648 1.00 0.00 C ATOM 659 O LYS A 44 13.058 -7.773 3.810 1.00 0.00 O ATOM 660 CB LYS A 44 10.570 -6.457 1.700 1.00 0.00 C ATOM 661 CG LYS A 44 11.825 -6.253 0.849 1.00 0.00 C ATOM 662 CD LYS A 44 11.507 -5.447 -0.412 1.00 0.00 C ATOM 663 CE LYS A 44 12.634 -4.463 -0.732 1.00 0.00 C ATOM 664 NZ LYS A 44 12.081 -3.124 -1.039 1.00 0.00 N ATOM 0 H LYS A 44 8.979 -6.707 3.570 1.00 0.00 H new ATOM 0 HA LYS A 44 11.012 -8.339 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.790 -6.924 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.185 -5.490 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.585 -5.735 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.241 -7.221 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.361 -6.124 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.573 -4.903 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.317 -4.396 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.213 -4.827 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.859 -2.468 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.447 -3.190 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.548 -2.772 -0.218 1.00 0.00 H new ATOM 678 N GLN A 45 12.217 -5.689 4.066 1.00 0.00 N ATOM 679 CA GLN A 45 13.383 -5.185 4.771 1.00 0.00 C ATOM 680 C GLN A 45 13.785 -6.149 5.889 1.00 0.00 C ATOM 681 O GLN A 45 14.934 -6.581 5.957 1.00 0.00 O ATOM 682 CB GLN A 45 13.125 -3.782 5.324 1.00 0.00 C ATOM 683 CG GLN A 45 13.130 -2.741 4.203 1.00 0.00 C ATOM 684 CD GLN A 45 13.383 -1.338 4.759 1.00 0.00 C ATOM 685 OE1 GLN A 45 13.101 -1.037 5.907 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.927 -0.499 3.882 1.00 0.00 N ATOM 0 H GLN A 45 11.473 -5.005 3.930 1.00 0.00 H new ATOM 0 HA GLN A 45 14.209 -5.115 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.165 -3.761 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.888 -3.532 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.900 -2.991 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.175 -2.761 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.138 -0.816 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.133 0.462 4.156 1.00 0.00 H new ATOM 695 N GLU A 46 12.815 -6.459 6.737 1.00 0.00 N ATOM 696 CA GLU A 46 13.054 -7.364 7.848 1.00 0.00 C ATOM 697 C GLU A 46 13.809 -8.605 7.369 1.00 0.00 C ATOM 698 O GLU A 46 14.827 -8.979 7.949 1.00 0.00 O ATOM 699 CB GLU A 46 11.741 -7.752 8.532 1.00 0.00 C ATOM 700 CG GLU A 46 11.792 -7.448 10.031 1.00 0.00 C ATOM 701 CD GLU A 46 11.167 -8.585 10.842 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.155 -9.137 10.359 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.716 -8.877 11.926 1.00 0.00 O ATOM 0 H GLU A 46 11.862 -6.100 6.677 1.00 0.00 H new ATOM 0 HA GLU A 46 13.671 -6.849 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.914 -7.208 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.547 -8.814 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.827 -7.301 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.263 -6.517 10.235 1.00 0.00 H new ATOM 832 N SER A 55 8.276 6.317 8.841 1.00 0.00 N ATOM 833 CA SER A 55 7.197 7.250 9.119 1.00 0.00 C ATOM 834 C SER A 55 5.983 6.922 8.248 1.00 0.00 C ATOM 835 O SER A 55 5.516 7.766 7.485 1.00 0.00 O ATOM 836 CB SER A 55 7.644 8.695 8.884 1.00 0.00 C ATOM 837 OG SER A 55 8.636 9.106 9.821 1.00 0.00 O ATOM 0 HA SER A 55 6.920 7.149 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.038 8.793 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.781 9.357 8.955 1.00 0.00 H new ATOM 0 HG SER A 55 8.896 10.033 9.637 1.00 0.00 H new ATOM 843 N TRP A 56 5.507 5.694 8.391 1.00 0.00 N ATOM 844 CA TRP A 56 4.356 5.244 7.627 1.00 0.00 C ATOM 845 C TRP A 56 3.137 6.039 8.096 1.00 0.00 C ATOM 846 O TRP A 56 2.375 6.554 7.279 1.00 0.00 O ATOM 847 CB TRP A 56 4.169 3.731 7.757 1.00 0.00 C ATOM 848 CG TRP A 56 5.092 2.910 6.854 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.095 2.099 7.218 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.055 2.852 5.412 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.705 1.526 6.121 1.00 0.00 N ATOM 852 CE2 TRP A 56 6.053 1.998 4.988 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.207 3.500 4.497 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.296 1.714 3.639 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.464 3.206 3.153 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.464 2.348 2.709 1.00 0.00 C ATOM 0 H TRP A 56 5.897 4.997 9.025 1.00 0.00 H new ATOM 0 HA TRP A 56 4.504 5.429 6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.341 3.442 8.794 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.134 3.482 7.524 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.389 1.917 8.241 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.490 0.875 6.138 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.420 4.171 4.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.083 1.042 3.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.841 3.679 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.598 2.172 1.652 1.00 0.00 H new ATOM 867 N SER A 57 2.989 6.115 9.411 1.00 0.00 N ATOM 868 CA SER A 57 1.875 6.839 9.998 1.00 0.00 C ATOM 869 C SER A 57 1.609 8.121 9.207 1.00 0.00 C ATOM 870 O SER A 57 0.524 8.301 8.656 1.00 0.00 O ATOM 871 CB SER A 57 2.146 7.169 11.468 1.00 0.00 C ATOM 872 OG SER A 57 1.757 6.106 12.333 1.00 0.00 O ATOM 0 H SER A 57 3.622 5.687 10.086 1.00 0.00 H new ATOM 0 HA SER A 57 0.992 6.202 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.207 7.377 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.606 8.075 11.742 1.00 0.00 H new ATOM 0 HG SER A 57 1.947 6.354 13.262 1.00 0.00 H new ATOM 878 N TYR A 58 2.617 8.980 9.177 1.00 0.00 N ATOM 879 CA TYR A 58 2.506 10.240 8.462 1.00 0.00 C ATOM 880 C TYR A 58 2.097 10.011 7.006 1.00 0.00 C ATOM 881 O TYR A 58 1.172 10.651 6.509 1.00 0.00 O ATOM 882 CB TYR A 58 3.900 10.869 8.495 1.00 0.00 C ATOM 883 CG TYR A 58 4.009 12.184 7.721 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.427 13.330 8.223 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.688 12.224 6.521 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.529 14.568 7.495 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.790 13.462 5.792 1.00 0.00 C ATOM 888 CZ TYR A 58 4.206 14.573 6.315 1.00 0.00 C ATOM 889 OH TYR A 58 4.302 15.742 5.627 1.00 0.00 O ATOM 0 H TYR A 58 3.515 8.828 9.637 1.00 0.00 H new ATOM 0 HA TYR A 58 1.750 10.876 8.922 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.183 11.046 9.533 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.618 10.158 8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.895 13.298 9.162 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.143 11.327 6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.078 15.472 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.318 13.507 4.851 1.00 0.00 H new ATOM 0 HH TYR A 58 4.814 15.596 4.804 1.00 0.00 H new ATOM 899 N VAL A 59 2.807 9.096 6.363 1.00 0.00 N ATOM 900 CA VAL A 59 2.530 8.774 4.973 1.00 0.00 C ATOM 901 C VAL A 59 1.035 8.491 4.808 1.00 0.00 C ATOM 902 O VAL A 59 0.381 9.073 3.944 1.00 0.00 O ATOM 903 CB VAL A 59 3.412 7.609 4.520 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.880 6.989 3.226 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.867 8.054 4.358 1.00 0.00 C ATOM 0 H VAL A 59 3.574 8.567 6.779 1.00 0.00 H new ATOM 0 HA VAL A 59 2.774 9.619 4.329 1.00 0.00 H new ATOM 0 HB VAL A 59 3.380 6.843 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.525 6.163 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.868 6.618 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.867 7.744 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.473 7.207 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.924 8.846 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.242 8.426 5.311 1.00 0.00 H new ATOM 915 N TRP A 60 0.538 7.597 5.651 1.00 0.00 N ATOM 916 CA TRP A 60 -0.868 7.231 5.609 1.00 0.00 C ATOM 917 C TRP A 60 -1.684 8.428 6.101 1.00 0.00 C ATOM 918 O TRP A 60 -2.841 8.594 5.718 1.00 0.00 O ATOM 919 CB TRP A 60 -1.126 5.958 6.418 1.00 0.00 C ATOM 920 CG TRP A 60 -0.262 4.767 5.997 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.582 4.052 6.754 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.193 4.177 4.682 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.188 3.050 6.025 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.702 3.128 4.725 1.00 0.00 C ATOM 925 CE3 TRP A 60 -0.864 4.519 3.495 1.00 0.00 C ATOM 926 CZ2 TRP A 60 1.008 2.335 3.613 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.547 3.717 2.392 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.352 2.657 2.419 1.00 0.00 C ATOM 0 H TRP A 60 1.083 7.116 6.366 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.176 6.997 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.948 6.168 7.473 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.177 5.684 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.765 4.237 7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.868 2.375 6.376 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.568 5.336 3.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.712 1.519 3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.035 3.937 1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.543 2.085 1.523 1.00 0.00 H new ATOM 939 N ARG A 61 -1.048 9.230 6.943 1.00 0.00 N ATOM 940 CA ARG A 61 -1.701 10.407 7.491 1.00 0.00 C ATOM 941 C ARG A 61 -1.446 11.621 6.595 1.00 0.00 C ATOM 942 O ARG A 61 -1.289 12.738 7.087 1.00 0.00 O ATOM 943 CB ARG A 61 -1.196 10.709 8.903 1.00 0.00 C ATOM 944 CG ARG A 61 -2.212 11.549 9.681 1.00 0.00 C ATOM 945 CD ARG A 61 -1.530 12.729 10.375 1.00 0.00 C ATOM 946 NE ARG A 61 -1.895 12.753 11.809 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.741 13.819 12.606 1.00 0.00 C ATOM 948 NH1 ARG A 61 -1.227 14.955 12.114 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.100 13.750 13.895 1.00 0.00 N ATOM 0 H ARG A 61 -0.089 9.088 7.259 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.771 10.202 7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.008 9.775 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.246 11.240 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.981 11.917 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.713 10.926 10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.448 12.649 10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.829 13.663 9.900 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.289 11.905 12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.953 15.008 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.110 15.767 12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.491 12.886 14.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.983 14.562 14.501 1.00 0.00 H new ATOM 963 N THR A 62 -1.413 11.362 5.297 1.00 0.00 N ATOM 964 CA THR A 62 -1.180 12.420 4.328 1.00 0.00 C ATOM 965 C THR A 62 -1.714 12.012 2.954 1.00 0.00 C ATOM 966 O THR A 62 -2.369 12.804 2.278 1.00 0.00 O ATOM 967 CB THR A 62 0.317 12.739 4.328 1.00 0.00 C ATOM 968 OG1 THR A 62 0.490 13.591 5.456 1.00 0.00 O ATOM 969 CG2 THR A 62 0.730 13.607 3.138 1.00 0.00 C ATOM 0 H THR A 62 -1.544 10.435 4.893 1.00 0.00 H new ATOM 0 HA THR A 62 -1.721 13.328 4.595 1.00 0.00 H new ATOM 0 HB THR A 62 0.886 11.810 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.339 13.615 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.801 13.804 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.498 13.086 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.186 14.551 3.170 1.00 0.00 H new ATOM 977 N TYR A 63 -1.415 10.776 2.581 1.00 0.00 N ATOM 978 CA TYR A 63 -1.857 10.253 1.299 1.00 0.00 C ATOM 979 C TYR A 63 -2.770 9.040 1.488 1.00 0.00 C ATOM 980 O TYR A 63 -2.774 8.420 2.550 1.00 0.00 O ATOM 981 CB TYR A 63 -0.590 9.813 0.563 1.00 0.00 C ATOM 982 CG TYR A 63 0.368 10.959 0.234 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.144 11.749 -0.876 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.457 11.204 1.046 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.045 12.828 -1.186 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.359 12.283 0.736 1.00 0.00 C ATOM 987 CZ TYR A 63 2.108 13.042 -0.365 1.00 0.00 C ATOM 988 OH TYR A 63 2.960 14.061 -0.658 1.00 0.00 O ATOM 0 H TYR A 63 -0.872 10.122 3.144 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.418 11.008 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.065 9.078 1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.875 9.314 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.708 11.557 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.633 10.586 1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.881 13.453 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.215 12.485 1.363 1.00 0.00 H new ATOM 0 HH TYR A 63 3.672 14.096 0.015 1.00 0.00 H new ATOM 998 N HIS A 64 -3.522 8.737 0.440 1.00 0.00 N ATOM 999 CA HIS A 64 -4.438 7.610 0.476 1.00 0.00 C ATOM 1000 C HIS A 64 -4.436 6.903 -0.881 1.00 0.00 C ATOM 1001 O HIS A 64 -3.921 7.437 -1.862 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.835 8.058 0.910 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.893 8.616 2.312 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.084 7.820 3.428 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.783 9.897 2.766 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.088 8.598 4.500 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -5.902 9.885 4.088 1.00 0.00 N ATOM 0 H HIS A 64 -3.515 9.253 -0.440 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.104 6.889 1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.195 8.815 0.213 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.516 7.210 0.839 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.202 6.807 3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.626 10.773 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.216 8.271 5.521 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.019 5.713 -0.894 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.092 4.928 -2.114 1.00 0.00 C ATOM 1017 C LEU A 65 -6.368 5.294 -2.875 1.00 0.00 C ATOM 1018 O LEU A 65 -7.469 5.180 -2.340 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.970 3.436 -1.799 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.937 3.057 -0.736 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -2.724 3.988 -0.794 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -4.569 3.026 0.656 1.00 0.00 C ATOM 0 H LEU A 65 -5.445 5.274 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.252 5.161 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.945 3.072 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.723 2.909 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.580 2.049 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.005 3.697 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.257 3.916 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.045 5.015 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.813 2.754 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.971 4.011 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.374 2.291 0.674 1.00 0.00 H new ATOM 1034 N THR A 66 -6.176 5.726 -4.113 1.00 0.00 N ATOM 1035 CA THR A 66 -7.298 6.110 -4.954 1.00 0.00 C ATOM 1036 C THR A 66 -7.556 5.041 -6.018 1.00 0.00 C ATOM 1037 O THR A 66 -6.804 4.074 -6.127 1.00 0.00 O ATOM 1038 CB THR A 66 -7.000 7.491 -5.539 1.00 0.00 C ATOM 1039 OG1 THR A 66 -8.039 7.696 -6.492 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.719 7.509 -6.375 1.00 0.00 C ATOM 0 H THR A 66 -5.261 5.819 -4.554 1.00 0.00 H new ATOM 0 HA THR A 66 -8.220 6.179 -4.377 1.00 0.00 H new ATOM 0 HB THR A 66 -6.916 8.217 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.924 8.571 -6.919 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.554 8.513 -6.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.873 7.219 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.815 6.808 -7.204 1.00 0.00 H new ATOM 1048 N SER A 67 -8.622 5.253 -6.777 1.00 0.00 N ATOM 1049 CA SER A 67 -8.988 4.320 -7.829 1.00 0.00 C ATOM 1050 C SER A 67 -10.413 4.605 -8.308 1.00 0.00 C ATOM 1051 O SER A 67 -11.249 5.075 -7.537 1.00 0.00 O ATOM 1052 CB SER A 67 -8.870 2.873 -7.348 1.00 0.00 C ATOM 1053 OG SER A 67 -9.626 1.977 -8.158 1.00 0.00 O ATOM 0 H SER A 67 -9.243 6.057 -6.684 1.00 0.00 H new ATOM 0 HA SER A 67 -8.297 4.455 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.822 2.573 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.213 2.805 -6.316 1.00 0.00 H new ATOM 0 HG SER A 67 -9.061 1.223 -8.428 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.647 4.309 -9.578 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.956 4.527 -10.169 1.00 0.00 C ATOM 1061 C ALA A 68 -12.491 5.890 -9.723 1.00 0.00 C ATOM 1062 O ALA A 68 -13.653 6.008 -9.337 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.890 3.379 -9.781 1.00 0.00 C ATOM 0 H ALA A 68 -9.951 3.920 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.889 4.538 -11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.872 3.543 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.480 2.437 -10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.984 3.338 -8.696 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.618 6.884 -9.790 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.988 8.233 -9.398 1.00 0.00 C ATOM 1071 C GLY A 69 -12.722 8.232 -8.056 1.00 0.00 C ATOM 1072 O GLY A 69 -13.710 8.945 -7.883 1.00 0.00 O ATOM 0 H GLY A 69 -10.655 6.782 -10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.094 8.853 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.624 8.677 -10.164 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.211 7.423 -7.139 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.806 7.320 -5.817 1.00 0.00 C ATOM 1078 C GLU A 70 -11.716 7.318 -4.743 1.00 0.00 C ATOM 1079 O GLU A 70 -10.697 6.643 -4.889 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.686 6.074 -5.707 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.132 6.388 -6.095 1.00 0.00 C ATOM 1082 CD GLU A 70 -16.070 6.215 -4.898 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -16.049 7.111 -4.027 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.788 5.192 -4.883 1.00 0.00 O ATOM 0 H GLU A 70 -11.392 6.833 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.444 8.190 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.294 5.289 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.654 5.691 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.198 7.410 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.446 5.731 -6.906 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.967 8.080 -3.689 1.00 0.00 N ATOM 1092 CA LYS A 71 -11.019 8.174 -2.591 1.00 0.00 C ATOM 1093 C LYS A 71 -11.268 7.027 -1.609 1.00 0.00 C ATOM 1094 O LYS A 71 -12.350 6.921 -1.035 1.00 0.00 O ATOM 1095 CB LYS A 71 -11.082 9.560 -1.946 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.826 10.658 -2.981 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.389 11.958 -2.304 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.243 12.618 -3.073 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.541 13.600 -2.215 1.00 0.00 N ATOM 0 H LYS A 71 -12.813 8.638 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.999 8.065 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.060 9.708 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.343 9.628 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.056 10.331 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.731 10.833 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.234 12.644 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.074 11.752 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.541 11.857 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.632 13.115 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.766 14.039 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.210 14.335 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.153 13.117 -1.380 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.247 6.198 -1.446 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.341 5.064 -0.544 1.00 0.00 C ATOM 1115 C LEU A 72 -9.886 5.490 0.854 1.00 0.00 C ATOM 1116 O LEU A 72 -8.711 5.362 1.194 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.568 3.868 -1.104 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.647 3.668 -2.619 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.551 2.717 -3.104 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -11.041 3.198 -3.038 1.00 0.00 C ATOM 0 H LEU A 72 -9.351 6.290 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.376 4.733 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.520 3.976 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.935 2.964 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.474 4.631 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.629 2.592 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.574 3.132 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.668 1.749 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.070 3.064 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.268 2.251 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.780 3.944 -2.745 1.00 0.00 H new ATOM 1132 N THR A 73 -10.841 5.988 1.625 1.00 0.00 N ATOM 1133 CA THR A 73 -10.554 6.434 2.978 1.00 0.00 C ATOM 1134 C THR A 73 -11.212 5.502 3.998 1.00 0.00 C ATOM 1135 O THR A 73 -10.650 5.244 5.061 1.00 0.00 O ATOM 1136 CB THR A 73 -11.008 7.889 3.103 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.413 7.836 2.870 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.476 8.768 1.969 1.00 0.00 C ATOM 0 H THR A 73 -11.814 6.093 1.339 1.00 0.00 H new ATOM 0 HA THR A 73 -9.485 6.393 3.189 1.00 0.00 H new ATOM 0 HB THR A 73 -10.677 8.291 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.789 8.739 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.828 9.791 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.386 8.755 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.835 8.386 1.013 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.394 5.024 3.638 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.134 4.127 4.509 1.00 0.00 C ATOM 1148 C GLU A 74 -12.377 2.809 4.680 1.00 0.00 C ATOM 1149 O GLU A 74 -12.075 2.130 3.700 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.546 3.882 3.971 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.558 4.809 4.647 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.031 5.900 3.685 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -15.336 6.937 3.618 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.076 5.673 3.038 1.00 0.00 O ATOM 0 H GLU A 74 -12.857 5.241 2.756 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.229 4.598 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.562 4.044 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.829 2.843 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.413 4.229 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.106 5.266 5.527 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.092 2.486 5.933 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.376 1.261 6.246 1.00 0.00 C ATOM 1163 C ASP A 75 -12.364 0.093 6.284 1.00 0.00 C ATOM 1164 O ASP A 75 -12.024 -1.024 5.896 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.700 1.352 7.616 1.00 0.00 C ATOM 1166 CG ASP A 75 -11.591 0.982 8.803 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -12.537 1.756 9.066 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.307 -0.067 9.421 1.00 0.00 O ATOM 0 H ASP A 75 -12.344 3.052 6.744 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.617 1.109 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.828 0.698 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.336 2.370 7.758 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.566 0.391 6.754 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.605 -0.620 6.846 1.00 0.00 C ATOM 1175 C ARG A 76 -15.077 -1.026 5.449 1.00 0.00 C ATOM 1176 O ARG A 76 -15.424 -2.184 5.219 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.801 -0.109 7.653 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.595 -0.348 9.150 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.708 -1.836 9.488 1.00 0.00 C ATOM 1180 NE ARG A 76 -14.385 -2.365 9.889 1.00 0.00 N ATOM 1181 CZ ARG A 76 -14.082 -3.670 9.938 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -15.005 -4.585 9.613 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -12.856 -4.059 10.314 1.00 0.00 N ATOM 0 H ARG A 76 -13.844 1.318 7.075 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.181 -1.485 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.941 0.956 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.709 -0.613 7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.615 0.023 9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.336 0.215 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.427 -1.981 10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.083 -2.386 8.625 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.659 -1.695 10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.939 -4.289 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.774 -5.578 9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.154 -3.362 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.625 -5.052 10.351 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.075 -0.051 4.552 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.499 -0.293 3.183 1.00 0.00 C ATOM 1199 C LYS A 77 -14.465 -1.176 2.482 1.00 0.00 C ATOM 1200 O LYS A 77 -13.271 -0.883 2.511 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.765 1.031 2.463 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.099 0.796 0.989 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.004 1.905 0.448 1.00 0.00 C ATOM 1204 CE LYS A 77 -17.984 1.355 -0.590 1.00 0.00 C ATOM 1205 NZ LYS A 77 -18.940 2.405 -1.008 1.00 0.00 N ATOM 0 H LYS A 77 -14.787 0.908 4.746 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.445 -0.834 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.590 1.553 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.889 1.675 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.179 0.756 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.592 -0.169 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.557 2.361 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.395 2.690 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.436 0.988 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.526 0.506 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.598 2.015 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.476 2.736 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.419 3.203 -1.425 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.962 -2.241 1.869 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.096 -3.169 1.162 1.00 0.00 C ATOM 1221 C LYS A 78 -13.676 -2.552 -0.174 1.00 0.00 C ATOM 1222 O LYS A 78 -14.372 -1.690 -0.709 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.774 -4.534 1.023 1.00 0.00 C ATOM 1224 CG LYS A 78 -14.824 -5.261 2.368 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.210 -5.858 2.617 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.173 -6.871 3.763 1.00 0.00 C ATOM 1227 NZ LYS A 78 -16.785 -8.152 3.344 1.00 0.00 N ATOM 0 H LYS A 78 -15.953 -2.481 1.848 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.184 -3.348 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.785 -4.404 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.232 -5.141 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.075 -6.052 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.574 -4.567 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.916 -5.062 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.569 -6.343 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.142 -7.039 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.706 -6.472 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.751 -8.828 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.775 -7.990 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.259 -8.539 2.534 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.541 -3.017 -0.673 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.020 -2.522 -1.936 1.00 0.00 C ATOM 1243 C LEU A 79 -12.945 -2.963 -3.072 1.00 0.00 C ATOM 1244 O LEU A 79 -13.282 -2.167 -3.947 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.565 -2.956 -2.123 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.653 -2.786 -0.907 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.239 -3.288 -1.208 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.654 -1.336 -0.419 1.00 0.00 C ATOM 0 H LEU A 79 -11.967 -3.732 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.006 -1.432 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.555 -4.006 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.141 -2.389 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.047 -3.399 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.611 -3.156 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.277 -4.345 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.821 -2.721 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.998 -1.243 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.298 -0.684 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.667 -1.047 -0.139 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.329 -4.230 -3.022 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.208 -4.787 -4.036 1.00 0.00 C ATOM 1262 C ARG A 80 -15.510 -3.986 -4.107 1.00 0.00 C ATOM 1263 O ARG A 80 -16.245 -4.077 -5.089 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.534 -6.252 -3.738 1.00 0.00 C ATOM 1265 CG ARG A 80 -14.927 -6.439 -2.272 1.00 0.00 C ATOM 1266 CD ARG A 80 -15.831 -7.661 -2.098 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.149 -7.409 -2.722 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.006 -8.373 -3.084 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -17.689 -9.660 -2.886 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.180 -8.050 -3.644 1.00 0.00 N ATOM 0 H ARG A 80 -13.047 -4.887 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.689 -4.730 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.348 -6.585 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.670 -6.875 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.030 -6.556 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.442 -5.548 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.366 -8.536 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.958 -7.882 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.422 -6.440 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.795 -9.905 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.341 -10.394 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.421 -7.070 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.833 -8.784 -3.920 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.755 -3.220 -3.054 1.00 0.00 N ATOM 1285 CA ASP A 81 -16.955 -2.404 -2.985 1.00 0.00 C ATOM 1286 C ASP A 81 -16.693 -1.061 -3.669 1.00 0.00 C ATOM 1287 O ASP A 81 -17.620 -0.287 -3.899 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.350 -2.127 -1.533 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.627 -2.827 -1.065 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -18.572 -4.068 -0.918 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.628 -2.107 -0.865 1.00 0.00 O ATOM 0 H ASP A 81 -15.143 -3.147 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.761 -2.946 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.528 -2.431 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.475 -1.052 -1.405 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.425 -0.826 -3.975 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.030 0.411 -4.627 1.00 0.00 C ATOM 1298 C TYR A 82 -14.768 0.184 -6.118 1.00 0.00 C ATOM 1299 O TYR A 82 -14.456 1.125 -6.847 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.727 0.846 -3.953 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.906 1.947 -2.907 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.159 3.244 -3.306 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.814 1.645 -1.563 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.327 4.281 -2.322 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.982 2.682 -0.579 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.230 3.949 -1.006 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.389 4.929 -0.076 1.00 0.00 O ATOM 0 H TYR A 82 -14.658 -1.471 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.817 1.160 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.268 -0.021 -3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.033 1.195 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.231 3.481 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.616 0.631 -1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.526 5.299 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.913 2.459 0.475 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.770 5.665 -0.267 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.904 -1.069 -6.526 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.686 -1.430 -7.916 1.00 0.00 C ATOM 1319 C GLY A 83 -13.229 -1.829 -8.157 1.00 0.00 C ATOM 1320 O GLY A 83 -12.768 -1.853 -9.297 1.00 0.00 O ATOM 0 H GLY A 83 -15.162 -1.847 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.343 -2.256 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.948 -0.590 -8.559 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.544 -2.134 -7.065 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.148 -2.531 -7.142 1.00 0.00 C ATOM 1326 C ILE A 84 -11.054 -4.057 -7.101 1.00 0.00 C ATOM 1327 O ILE A 84 -11.266 -4.667 -6.054 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.332 -1.834 -6.053 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.645 -0.337 -6.005 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.836 -2.101 -6.233 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.090 0.299 -4.729 1.00 0.00 C ATOM 0 H ILE A 84 -12.930 -2.114 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.712 -2.210 -8.088 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.621 -2.254 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.216 0.156 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.723 -0.186 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.279 -1.594 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.649 -3.173 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.514 -1.726 -7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.326 1.363 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.539 -0.180 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.008 0.167 -4.698 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.736 -4.630 -8.252 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.610 -6.073 -8.361 1.00 0.00 C ATOM 1345 C ARG A 85 -9.137 -6.484 -8.310 1.00 0.00 C ATOM 1346 O ARG A 85 -8.263 -5.646 -8.095 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.230 -6.584 -9.663 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.744 -6.362 -9.674 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.100 -5.044 -10.365 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.480 -5.108 -10.896 1.00 0.00 N ATOM 1351 CZ ARG A 85 -14.812 -5.689 -12.056 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -13.867 -6.261 -12.814 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.090 -5.699 -12.459 1.00 0.00 N ATOM 0 H ARG A 85 -10.562 -4.120 -9.118 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.143 -6.516 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.777 -6.071 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.014 -7.646 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.233 -7.190 -10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.121 -6.354 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.011 -4.218 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.398 -4.848 -11.176 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.225 -4.683 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.894 -6.254 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.120 -6.703 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.810 -5.264 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.343 -6.142 -13.343 1.00 0.00 H new ATOM 1367 N ASN A 86 -8.908 -7.773 -8.511 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.556 -8.305 -8.491 1.00 0.00 C ATOM 1369 C ASN A 86 -6.833 -7.898 -9.777 1.00 0.00 C ATOM 1370 O ASN A 86 -7.460 -7.750 -10.825 1.00 0.00 O ATOM 1371 CB ASN A 86 -7.566 -9.833 -8.418 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.162 -10.401 -8.637 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.166 -9.852 -8.197 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.140 -11.530 -9.341 1.00 0.00 N ATOM 0 H ASN A 86 -9.636 -8.465 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.050 -7.905 -7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.944 -10.152 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.245 -10.232 -9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.251 -11.989 -9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.012 -11.937 -9.680 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.525 -7.727 -9.654 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.711 -7.340 -10.793 1.00 0.00 C ATOM 1383 C ARG A 87 -5.086 -5.932 -11.260 1.00 0.00 C ATOM 1384 O ARG A 87 -4.990 -5.621 -12.447 1.00 0.00 O ATOM 1385 CB ARG A 87 -4.888 -8.319 -11.956 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.724 -9.310 -12.020 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.504 -9.805 -13.451 1.00 0.00 C ATOM 1388 NE ARG A 87 -4.329 -11.008 -13.702 1.00 0.00 N ATOM 1389 CZ ARG A 87 -4.130 -12.193 -13.111 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.131 -12.343 -12.229 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -4.928 -13.230 -13.400 1.00 0.00 N ATOM 0 H ARG A 87 -5.009 -7.849 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.669 -7.356 -10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.826 -8.861 -11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.953 -7.767 -12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.815 -8.833 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.927 -10.158 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.765 -9.020 -14.161 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.450 -10.037 -13.606 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.098 -10.929 -14.367 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.523 -11.554 -12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.979 -13.246 -11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.688 -13.117 -14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.775 -14.132 -12.949 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.505 -5.118 -10.303 1.00 0.00 N ATOM 1406 CA ASP A 88 -5.896 -3.750 -10.601 1.00 0.00 C ATOM 1407 C ASP A 88 -4.747 -2.807 -10.240 1.00 0.00 C ATOM 1408 O ASP A 88 -3.877 -3.157 -9.444 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.121 -3.337 -9.784 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.452 -3.904 -10.282 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.405 -4.965 -10.942 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.486 -3.265 -9.992 1.00 0.00 O ATOM 0 H ASP A 88 -5.583 -5.379 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.135 -3.691 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.973 -3.652 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.186 -2.249 -9.779 1.00 0.00 H new ATOM 1417 N GLU A 89 -4.780 -1.628 -10.844 1.00 0.00 N ATOM 1418 CA GLU A 89 -3.752 -0.631 -10.597 1.00 0.00 C ATOM 1419 C GLU A 89 -4.304 0.493 -9.717 1.00 0.00 C ATOM 1420 O GLU A 89 -5.293 1.133 -10.069 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.198 -0.076 -11.911 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.608 -1.195 -12.772 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.226 -1.194 -14.171 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.577 -0.088 -14.636 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.333 -2.299 -14.745 1.00 0.00 O ATOM 0 H GLU A 89 -5.503 -1.341 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.928 -1.110 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.992 0.430 -12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.431 0.669 -11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.528 -1.069 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.784 -2.158 -12.293 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.639 0.698 -8.589 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.050 1.734 -7.656 1.00 0.00 C ATOM 1434 C VAL A 90 -2.997 2.843 -7.636 1.00 0.00 C ATOM 1435 O VAL A 90 -1.842 2.614 -7.989 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.303 1.124 -6.276 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.100 2.163 -5.171 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.700 0.506 -6.197 1.00 0.00 C ATOM 0 H VAL A 90 -2.819 0.165 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.990 2.185 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.575 0.327 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.286 1.703 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.076 2.536 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.793 2.991 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.854 0.080 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.449 1.276 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.794 -0.279 -6.948 1.00 0.00 H new ATOM 1448 N SER A 91 -3.434 4.022 -7.218 1.00 0.00 N ATOM 1449 CA SER A 91 -2.544 5.168 -7.147 1.00 0.00 C ATOM 1450 C SER A 91 -2.640 5.821 -5.766 1.00 0.00 C ATOM 1451 O SER A 91 -3.552 5.522 -4.997 1.00 0.00 O ATOM 1452 CB SER A 91 -2.870 6.188 -8.239 1.00 0.00 C ATOM 1453 OG SER A 91 -3.460 5.575 -9.383 1.00 0.00 O ATOM 0 H SER A 91 -4.393 4.208 -6.925 1.00 0.00 H new ATOM 0 HA SER A 91 -1.524 4.818 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.549 6.941 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.958 6.706 -8.535 1.00 0.00 H new ATOM 0 HG SER A 91 -3.655 6.259 -10.057 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.686 6.699 -5.494 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.651 7.396 -4.220 1.00 0.00 C ATOM 1461 C PHE A 92 -2.079 8.856 -4.382 1.00 0.00 C ATOM 1462 O PHE A 92 -1.534 9.578 -5.216 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.204 7.353 -3.725 1.00 0.00 C ATOM 1464 CG PHE A 92 0.032 6.372 -2.575 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.591 6.561 -1.381 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.864 5.310 -2.747 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.372 5.651 -0.314 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.083 4.400 -1.680 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.460 4.589 -0.486 1.00 0.00 C ATOM 0 H PHE A 92 -0.931 6.944 -6.135 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.335 6.920 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.446 7.084 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.089 8.352 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.253 7.404 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.358 5.159 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.866 5.802 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.745 3.557 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.626 3.896 0.325 1.00 0.00 H new ATOM 1479 N ILE A 93 -3.051 9.248 -3.571 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.559 10.609 -3.614 1.00 0.00 C ATOM 1481 C ILE A 93 -3.174 11.333 -2.323 1.00 0.00 C ATOM 1482 O ILE A 93 -2.737 10.703 -1.361 1.00 0.00 O ATOM 1483 CB ILE A 93 -5.063 10.611 -3.896 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.511 11.956 -4.471 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.856 10.231 -2.644 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.460 11.757 -5.655 1.00 0.00 C ATOM 0 H ILE A 93 -3.500 8.647 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.104 11.160 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.270 9.853 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.008 12.540 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.640 12.527 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.922 10.240 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.563 9.233 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.649 10.949 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.764 12.728 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.952 11.194 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.341 11.207 -5.326 1.00 0.00 H new ATOM 1498 N LYS A 94 -3.351 12.646 -2.343 1.00 0.00 N ATOM 1499 CA LYS A 94 -3.027 13.462 -1.185 1.00 0.00 C ATOM 1500 C LYS A 94 -4.294 14.164 -0.691 1.00 0.00 C ATOM 1501 O LYS A 94 -5.045 14.729 -1.485 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.880 14.421 -1.510 1.00 0.00 C ATOM 1503 CG LYS A 94 -1.237 14.959 -0.230 1.00 0.00 C ATOM 1504 CD LYS A 94 -1.308 16.487 -0.181 1.00 0.00 C ATOM 1505 CE LYS A 94 -1.062 17.002 1.239 1.00 0.00 C ATOM 1506 NZ LYS A 94 -1.209 18.474 1.289 1.00 0.00 N ATOM 0 H LYS A 94 -3.714 13.165 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.668 12.838 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.129 13.906 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.254 15.251 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.743 14.540 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.197 14.638 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.567 16.911 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.286 16.821 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.767 16.537 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.062 16.719 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.039 18.807 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.520 18.914 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.172 18.737 0.997 1.00 0.00 H new ATOM 1520 N LYS A 95 -4.493 14.104 0.617 1.00 0.00 N ATOM 1521 CA LYS A 95 -5.656 14.727 1.226 1.00 0.00 C ATOM 1522 C LYS A 95 -5.789 16.162 0.713 1.00 0.00 C ATOM 1523 O LYS A 95 -4.884 16.676 0.057 1.00 0.00 O ATOM 1524 CB LYS A 95 -5.582 14.624 2.751 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.708 13.169 3.209 1.00 0.00 C ATOM 1526 CD LYS A 95 -6.012 13.090 4.707 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.783 12.630 5.492 1.00 0.00 C ATOM 1528 NZ LYS A 95 -4.390 13.655 6.486 1.00 0.00 N ATOM 0 H LYS A 95 -3.869 13.634 1.272 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.565 14.199 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.637 15.039 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.377 15.220 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.500 12.674 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.783 12.635 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.334 14.067 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.837 12.399 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.998 11.688 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.956 12.443 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.410 13.486 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.461 14.600 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.023 13.601 7.310 1.00 0.00 H new