USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.87) USER MOD Single : A 11 SER OG : rot 180:sc= -0.485 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.896 K(o=-0.9,f=-2.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 82:sc= 0.58 USER MOD Single : A 59 SER OG : rot -160:sc= 0.578 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= 0.889 (180deg=-0.0153) USER MOD Single : A 65 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.58) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.136 (180deg=-0.268) USER MOD Single : A 69 MET CE :methyl -126:sc= -0.956 (180deg=-3.75!) USER MOD Single : A 73 TYR OH : rot 0:sc= -0.37 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.707 2.891 -0.874 1.00 0.00 N ATOM 98 CA LYS A 4 5.367 2.802 -0.305 1.00 0.00 C ATOM 99 C LYS A 4 4.590 1.643 -0.920 1.00 0.00 C ATOM 100 O LYS A 4 4.993 1.084 -1.941 1.00 0.00 O ATOM 101 CB LYS A 4 4.609 4.113 -0.524 1.00 0.00 C ATOM 102 CG LYS A 4 5.344 5.335 -0.002 1.00 0.00 C ATOM 103 CD LYS A 4 4.650 6.622 -0.417 1.00 0.00 C ATOM 104 CE LYS A 4 5.391 7.846 0.098 1.00 0.00 C ATOM 105 NZ LYS A 4 4.871 9.104 -0.507 1.00 0.00 N ATOM 0 HA LYS A 4 5.466 2.622 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.421 4.240 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.637 4.047 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.405 5.287 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.367 5.334 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.583 6.666 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.629 6.626 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.296 7.898 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.453 7.748 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.402 9.915 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.984 9.065 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.863 9.211 -0.273 1.00 0.00 H new ATOM 119 N LEU A 5 3.473 1.288 -0.295 1.00 0.00 N ATOM 120 CA LEU A 5 2.637 0.196 -0.783 1.00 0.00 C ATOM 121 C LEU A 5 1.321 0.726 -1.342 1.00 0.00 C ATOM 122 O LEU A 5 0.691 1.602 -0.751 1.00 0.00 O ATOM 123 CB LEU A 5 2.361 -0.803 0.343 1.00 0.00 C ATOM 124 CG LEU A 5 3.570 -1.222 1.181 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.127 -2.047 2.379 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.563 -2.002 0.330 1.00 0.00 C ATOM 0 H LEU A 5 3.125 1.740 0.551 1.00 0.00 H new ATOM 0 HA LEU A 5 3.174 -0.310 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.614 -0.371 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.919 -1.699 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 5 4.065 -0.323 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.000 -2.337 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.454 -1.455 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.609 -2.942 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.417 -2.292 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.080 -2.895 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.904 -1.377 -0.496 1.00 0.00 H new ATOM 138 N TYR A 6 0.911 0.186 -2.485 1.00 0.00 N ATOM 139 CA TYR A 6 -0.330 0.605 -3.125 1.00 0.00 C ATOM 140 C TYR A 6 -1.487 -0.301 -2.714 1.00 0.00 C ATOM 141 O TYR A 6 -1.397 -1.525 -2.811 1.00 0.00 O ATOM 142 CB TYR A 6 -0.173 0.592 -4.647 1.00 0.00 C ATOM 143 CG TYR A 6 -1.470 0.351 -5.387 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.553 1.206 -5.229 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.610 -0.733 -6.246 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.739 0.988 -5.903 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.792 -0.958 -6.924 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.853 -0.095 -6.750 1.00 0.00 C ATOM 149 OH TYR A 6 -5.033 -0.315 -7.424 1.00 0.00 O ATOM 0 H TYR A 6 1.420 -0.542 -2.987 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.553 1.621 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.248 1.545 -4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.543 -0.182 -4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.467 2.056 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.781 -1.411 -6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.572 1.662 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.885 -1.806 -7.587 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.948 -1.118 -7.980 1.00 0.00 H new ATOM 159 N ILE A 7 -2.575 0.311 -2.257 1.00 0.00 N ATOM 160 CA ILE A 7 -3.752 -0.439 -1.834 1.00 0.00 C ATOM 161 C ILE A 7 -4.915 -0.226 -2.795 1.00 0.00 C ATOM 162 O ILE A 7 -5.359 0.902 -3.010 1.00 0.00 O ATOM 163 CB ILE A 7 -4.193 -0.038 -0.414 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.973 0.154 0.488 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.127 -1.089 0.167 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.326 0.462 1.926 1.00 0.00 C ATOM 0 H ILE A 7 -2.666 1.323 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.473 -1.493 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.732 0.908 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.363 -0.749 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.362 0.965 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.430 -0.791 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.010 -1.181 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.612 -2.048 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.412 0.585 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.910 1.382 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.911 -0.359 2.341 1.00 0.00 H new ATOM 178 N GLY A 8 -5.407 -1.319 -3.371 1.00 0.00 N ATOM 179 CA GLY A 8 -6.518 -1.230 -4.302 1.00 0.00 C ATOM 180 C GLY A 8 -7.771 -1.900 -3.776 1.00 0.00 C ATOM 181 O GLY A 8 -7.723 -2.633 -2.789 1.00 0.00 O ATOM 0 H GLY A 8 -5.057 -2.263 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.731 -0.181 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.233 -1.691 -5.248 1.00 0.00 H new ATOM 185 N ASN A 9 -8.897 -1.648 -4.436 1.00 0.00 N ATOM 186 CA ASN A 9 -10.169 -2.231 -4.026 1.00 0.00 C ATOM 187 C ASN A 9 -10.660 -1.608 -2.723 1.00 0.00 C ATOM 188 O ASN A 9 -11.168 -2.302 -1.843 1.00 0.00 O ATOM 189 CB ASN A 9 -10.031 -3.746 -3.860 1.00 0.00 C ATOM 190 CG ASN A 9 -11.327 -4.480 -4.138 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.707 -4.676 -5.293 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.015 -4.890 -3.078 1.00 0.00 N ATOM 0 H ASN A 9 -8.954 -1.044 -5.256 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.902 -2.023 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.257 -4.113 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.701 -3.969 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.896 -5.389 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.662 -4.706 -2.139 1.00 0.00 H new ATOM 199 N LEU A 10 -10.504 -0.294 -2.607 1.00 0.00 N ATOM 200 CA LEU A 10 -10.932 0.425 -1.413 1.00 0.00 C ATOM 201 C LEU A 10 -12.262 1.134 -1.649 1.00 0.00 C ATOM 202 O LEU A 10 -12.341 2.079 -2.433 1.00 0.00 O ATOM 203 CB LEU A 10 -9.867 1.441 -0.996 1.00 0.00 C ATOM 204 CG LEU A 10 -8.584 0.862 -0.399 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.589 1.971 -0.091 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.894 0.058 0.855 1.00 0.00 C ATOM 0 H LEU A 10 -10.084 0.295 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.067 -0.302 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.601 2.037 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.308 2.121 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.135 0.193 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.683 1.539 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.342 2.504 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.029 2.666 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.969 -0.346 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.367 0.705 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.568 -0.761 0.605 1.00 0.00 H new ATOM 218 N SER A 11 -13.303 0.672 -0.965 1.00 0.00 N ATOM 219 CA SER A 11 -14.630 1.260 -1.102 1.00 0.00 C ATOM 220 C SER A 11 -14.574 2.775 -0.928 1.00 0.00 C ATOM 221 O SER A 11 -13.713 3.313 -0.230 1.00 0.00 O ATOM 222 CB SER A 11 -15.589 0.653 -0.076 1.00 0.00 C ATOM 223 OG SER A 11 -16.647 1.546 0.224 1.00 0.00 O ATOM 0 H SER A 11 -13.253 -0.108 -0.310 1.00 0.00 H new ATOM 0 HA SER A 11 -14.995 1.040 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.996 -0.281 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.044 0.410 0.836 1.00 0.00 H new ATOM 0 HG SER A 11 -17.247 1.134 0.881 1.00 0.00 H new ATOM 229 N PRO A 12 -15.511 3.479 -1.578 1.00 0.00 N ATOM 230 CA PRO A 12 -15.590 4.942 -1.512 1.00 0.00 C ATOM 231 C PRO A 12 -16.031 5.437 -0.139 1.00 0.00 C ATOM 232 O PRO A 12 -16.149 6.640 0.090 1.00 0.00 O ATOM 233 CB PRO A 12 -16.643 5.288 -2.568 1.00 0.00 C ATOM 234 CG PRO A 12 -17.487 4.066 -2.677 1.00 0.00 C ATOM 235 CD PRO A 12 -16.566 2.903 -2.428 1.00 0.00 C ATOM 0 HA PRO A 12 -14.621 5.411 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.235 6.152 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.179 5.535 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.297 4.085 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.947 3.996 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.081 2.082 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.160 2.506 -3.358 1.00 0.00 H new ATOM 243 N ALA A 13 -16.273 4.500 0.773 1.00 0.00 N ATOM 244 CA ALA A 13 -16.699 4.842 2.125 1.00 0.00 C ATOM 245 C ALA A 13 -15.550 4.692 3.116 1.00 0.00 C ATOM 246 O ALA A 13 -15.633 5.154 4.254 1.00 0.00 O ATOM 247 CB ALA A 13 -17.876 3.973 2.543 1.00 0.00 C ATOM 0 H ALA A 13 -16.181 3.499 0.600 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.013 5.886 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.184 4.239 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.708 4.133 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.581 2.924 2.518 1.00 0.00 H new ATOM 253 N VAL A 14 -14.476 4.042 2.677 1.00 0.00 N ATOM 254 CA VAL A 14 -13.310 3.831 3.526 1.00 0.00 C ATOM 255 C VAL A 14 -12.624 5.153 3.855 1.00 0.00 C ATOM 256 O VAL A 14 -12.428 5.998 2.981 1.00 0.00 O ATOM 257 CB VAL A 14 -12.292 2.889 2.857 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.113 2.632 3.783 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.959 1.582 2.456 1.00 0.00 C ATOM 0 H VAL A 14 -14.390 3.653 1.738 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.668 3.371 4.447 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.916 3.371 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.404 1.964 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.621 3.576 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.468 2.171 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.225 0.928 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.364 1.093 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.767 1.786 1.753 1.00 0.00 H new ATOM 269 N THR A 15 -12.259 5.325 5.121 1.00 0.00 N ATOM 270 CA THR A 15 -11.595 6.543 5.566 1.00 0.00 C ATOM 271 C THR A 15 -10.237 6.234 6.186 1.00 0.00 C ATOM 272 O THR A 15 -9.960 5.095 6.559 1.00 0.00 O ATOM 273 CB THR A 15 -12.453 7.308 6.592 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.779 6.452 7.693 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.731 7.826 5.950 1.00 0.00 C ATOM 0 H THR A 15 -12.412 4.635 5.857 1.00 0.00 H new ATOM 0 HA THR A 15 -11.455 7.167 4.683 1.00 0.00 H new ATOM 0 HB THR A 15 -11.876 8.159 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.323 6.946 8.342 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.320 8.363 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.480 8.500 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.310 6.987 5.564 1.00 0.00 H new ATOM 283 N ALA A 16 -9.394 7.257 6.294 1.00 0.00 N ATOM 284 CA ALA A 16 -8.066 7.094 6.871 1.00 0.00 C ATOM 285 C ALA A 16 -8.143 6.451 8.252 1.00 0.00 C ATOM 286 O ALA A 16 -7.286 5.648 8.622 1.00 0.00 O ATOM 287 CB ALA A 16 -7.357 8.438 6.952 1.00 0.00 C ATOM 0 H ALA A 16 -9.608 8.207 5.989 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.493 6.432 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.366 8.301 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.261 8.859 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.936 9.117 7.578 1.00 0.00 H new ATOM 293 N ASP A 17 -9.173 6.810 9.010 1.00 0.00 N ATOM 294 CA ASP A 17 -9.361 6.267 10.351 1.00 0.00 C ATOM 295 C ASP A 17 -9.492 4.748 10.309 1.00 0.00 C ATOM 296 O ASP A 17 -8.914 4.042 11.136 1.00 0.00 O ATOM 297 CB ASP A 17 -10.601 6.881 11.003 1.00 0.00 C ATOM 298 CG ASP A 17 -11.223 5.966 12.039 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.465 5.346 12.815 1.00 0.00 O ATOM 300 OD2 ASP A 17 -12.467 5.870 12.076 1.00 0.00 O ATOM 0 H ASP A 17 -9.890 7.474 8.719 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.484 6.521 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.330 7.826 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.338 7.108 10.233 1.00 0.00 H new ATOM 305 N ASP A 18 -10.255 4.252 9.341 1.00 0.00 N ATOM 306 CA ASP A 18 -10.462 2.816 9.190 1.00 0.00 C ATOM 307 C ASP A 18 -9.169 2.121 8.777 1.00 0.00 C ATOM 308 O ASP A 18 -8.862 1.026 9.249 1.00 0.00 O ATOM 309 CB ASP A 18 -11.556 2.542 8.158 1.00 0.00 C ATOM 310 CG ASP A 18 -12.238 1.206 8.377 1.00 0.00 C ATOM 311 OD1 ASP A 18 -11.594 0.296 8.942 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.415 1.069 7.985 1.00 0.00 O ATOM 0 H ASP A 18 -10.740 4.823 8.649 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.776 2.416 10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.300 3.338 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.122 2.566 7.158 1.00 0.00 H new ATOM 317 N LEU A 19 -8.416 2.764 7.891 1.00 0.00 N ATOM 318 CA LEU A 19 -7.156 2.207 7.411 1.00 0.00 C ATOM 319 C LEU A 19 -6.164 2.038 8.557 1.00 0.00 C ATOM 320 O LEU A 19 -5.541 0.986 8.703 1.00 0.00 O ATOM 321 CB LEU A 19 -6.556 3.108 6.330 1.00 0.00 C ATOM 322 CG LEU A 19 -6.926 2.764 4.887 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.166 3.652 3.915 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.647 1.295 4.601 1.00 0.00 C ATOM 0 H LEU A 19 -8.656 3.671 7.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.360 1.225 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.865 4.134 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.470 3.079 6.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.993 2.944 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.442 3.393 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.416 4.696 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.094 3.505 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.916 1.068 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.587 1.090 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.237 0.675 5.275 1.00 0.00 H new ATOM 336 N ARG A 20 -6.024 3.080 9.370 1.00 0.00 N ATOM 337 CA ARG A 20 -5.108 3.047 10.504 1.00 0.00 C ATOM 338 C ARG A 20 -5.578 2.042 11.552 1.00 0.00 C ATOM 339 O ARG A 20 -4.768 1.348 12.165 1.00 0.00 O ATOM 340 CB ARG A 20 -4.989 4.437 11.131 1.00 0.00 C ATOM 341 CG ARG A 20 -6.299 4.968 11.687 1.00 0.00 C ATOM 342 CD ARG A 20 -6.079 6.200 12.552 1.00 0.00 C ATOM 343 NE ARG A 20 -7.315 6.652 13.186 1.00 0.00 N ATOM 344 CZ ARG A 20 -7.358 7.588 14.128 1.00 0.00 C ATOM 345 NH1 ARG A 20 -6.239 8.166 14.544 1.00 0.00 N ATOM 346 NH2 ARG A 20 -8.522 7.945 14.656 1.00 0.00 N ATOM 0 H ARG A 20 -6.533 3.958 9.265 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.129 2.736 10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.251 4.403 11.933 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.613 5.133 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.971 5.215 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.787 4.191 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.339 5.976 13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.670 7.004 11.940 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.193 6.226 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.343 7.892 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.274 8.884 15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.384 7.501 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.555 8.664 15.379 1.00 0.00 H new ATOM 360 N GLN A 21 -6.890 1.974 11.753 1.00 0.00 N ATOM 361 CA GLN A 21 -7.467 1.056 12.727 1.00 0.00 C ATOM 362 C GLN A 21 -7.298 -0.392 12.279 1.00 0.00 C ATOM 363 O GLN A 21 -7.068 -1.284 13.097 1.00 0.00 O ATOM 364 CB GLN A 21 -8.949 1.368 12.938 1.00 0.00 C ATOM 365 CG GLN A 21 -9.764 0.167 13.394 1.00 0.00 C ATOM 366 CD GLN A 21 -10.953 0.561 14.248 1.00 0.00 C ATOM 367 OE1 GLN A 21 -12.013 0.916 13.732 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.784 0.498 15.564 1.00 0.00 N ATOM 0 H GLN A 21 -7.573 2.544 11.254 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.937 1.188 13.670 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.043 2.163 13.678 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.368 1.749 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.115 -0.383 12.520 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.123 -0.509 13.960 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.888 0.198 15.949 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.550 0.749 16.189 1.00 0.00 H new ATOM 377 N LEU A 22 -7.413 -0.619 10.974 1.00 0.00 N ATOM 378 CA LEU A 22 -7.273 -1.959 10.416 1.00 0.00 C ATOM 379 C LEU A 22 -5.843 -2.466 10.569 1.00 0.00 C ATOM 380 O LEU A 22 -5.615 -3.586 11.027 1.00 0.00 O ATOM 381 CB LEU A 22 -7.673 -1.962 8.939 1.00 0.00 C ATOM 382 CG LEU A 22 -7.690 -3.327 8.252 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.965 -4.082 8.596 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.554 -3.167 6.744 1.00 0.00 C ATOM 0 H LEU A 22 -7.603 0.108 10.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.936 -2.626 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.666 -1.521 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.986 -1.313 8.396 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.840 -3.905 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.959 -5.052 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.021 -4.229 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.829 -3.508 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.568 -4.149 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.384 -2.570 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.613 -2.667 6.515 1.00 0.00 H new ATOM 396 N PHE A 23 -4.881 -1.633 10.185 1.00 0.00 N ATOM 397 CA PHE A 23 -3.471 -1.997 10.280 1.00 0.00 C ATOM 398 C PHE A 23 -3.068 -2.236 11.731 1.00 0.00 C ATOM 399 O PHE A 23 -2.396 -3.217 12.047 1.00 0.00 O ATOM 400 CB PHE A 23 -2.598 -0.899 9.670 1.00 0.00 C ATOM 401 CG PHE A 23 -2.337 -1.085 8.202 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.350 -0.898 7.276 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.078 -1.447 7.750 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.113 -1.070 5.925 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.835 -1.619 6.400 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.855 -1.431 5.487 1.00 0.00 C ATOM 0 H PHE A 23 -5.052 -0.702 9.805 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.321 -2.922 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.081 0.066 9.825 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.645 -0.868 10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.336 -0.615 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.278 -1.596 8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.911 -0.922 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.151 -1.900 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.668 -1.566 4.432 1.00 0.00 H new ATOM 416 N GLY A 24 -3.484 -1.330 12.612 1.00 0.00 N ATOM 417 CA GLY A 24 -3.156 -1.459 14.020 1.00 0.00 C ATOM 418 C GLY A 24 -3.842 -2.646 14.668 1.00 0.00 C ATOM 419 O GLY A 24 -3.252 -3.331 15.504 1.00 0.00 O ATOM 0 H GLY A 24 -4.042 -0.510 12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.077 -1.562 14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.444 -0.547 14.542 1.00 0.00 H new ATOM 423 N ASP A 25 -5.089 -2.890 14.282 1.00 0.00 N ATOM 424 CA ASP A 25 -5.855 -4.003 14.832 1.00 0.00 C ATOM 425 C ASP A 25 -5.165 -5.332 14.544 1.00 0.00 C ATOM 426 O ASP A 25 -5.267 -6.279 15.326 1.00 0.00 O ATOM 427 CB ASP A 25 -7.269 -4.012 14.251 1.00 0.00 C ATOM 428 CG ASP A 25 -8.241 -3.192 15.078 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.017 -1.971 15.215 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.223 -3.770 15.587 1.00 0.00 O ATOM 0 H ASP A 25 -5.591 -2.333 13.591 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.915 -3.872 15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.243 -3.622 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.627 -5.040 14.189 1.00 0.00 H new ATOM 435 N ARG A 26 -4.463 -5.398 13.417 1.00 0.00 N ATOM 436 CA ARG A 26 -3.758 -6.612 13.025 1.00 0.00 C ATOM 437 C ARG A 26 -2.336 -6.618 13.578 1.00 0.00 C ATOM 438 O ARG A 26 -1.472 -7.346 13.091 1.00 0.00 O ATOM 439 CB ARG A 26 -3.726 -6.738 11.501 1.00 0.00 C ATOM 440 CG ARG A 26 -4.943 -7.438 10.921 1.00 0.00 C ATOM 441 CD ARG A 26 -4.772 -8.950 10.924 1.00 0.00 C ATOM 442 NE ARG A 26 -6.049 -9.645 11.055 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.158 -10.922 11.402 1.00 0.00 C ATOM 444 NH1 ARG A 26 -5.072 -11.640 11.653 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.357 -11.484 11.500 1.00 0.00 N ATOM 0 H ARG A 26 -4.368 -4.624 12.759 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.294 -7.465 13.442 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.648 -5.742 11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.830 -7.285 11.209 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.828 -7.170 11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.111 -7.092 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.283 -9.261 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.116 -9.239 11.745 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.904 -9.121 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.149 -11.212 11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.159 -12.621 11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.195 -10.935 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.440 -12.465 11.767 1.00 0.00 H new ATOM 459 N LYS A 27 -2.100 -5.800 14.598 1.00 0.00 N ATOM 460 CA LYS A 27 -0.784 -5.710 15.218 1.00 0.00 C ATOM 461 C LYS A 27 0.263 -5.250 14.210 1.00 0.00 C ATOM 462 O LYS A 27 1.428 -5.645 14.285 1.00 0.00 O ATOM 463 CB LYS A 27 -0.382 -7.065 15.806 1.00 0.00 C ATOM 464 CG LYS A 27 -0.832 -7.262 17.244 1.00 0.00 C ATOM 465 CD LYS A 27 -0.067 -6.360 18.197 1.00 0.00 C ATOM 466 CE LYS A 27 -0.444 -6.632 19.645 1.00 0.00 C ATOM 467 NZ LYS A 27 0.652 -6.260 20.583 1.00 0.00 N ATOM 0 H LYS A 27 -2.804 -5.189 15.013 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.837 -4.974 16.020 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.805 -7.859 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.702 -7.166 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.899 -7.055 17.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.687 -8.303 17.532 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.004 -6.513 18.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.272 -5.317 17.956 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.344 -6.071 19.897 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.682 -7.689 19.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.356 -6.460 21.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.504 -6.813 20.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.863 -5.246 20.486 1.00 0.00 H new ATOM 481 N LEU A 28 -0.158 -4.415 13.267 1.00 0.00 N ATOM 482 CA LEU A 28 0.745 -3.900 12.243 1.00 0.00 C ATOM 483 C LEU A 28 0.684 -2.377 12.180 1.00 0.00 C ATOM 484 O LEU A 28 0.025 -1.793 11.321 1.00 0.00 O ATOM 485 CB LEU A 28 0.390 -4.492 10.877 1.00 0.00 C ATOM 486 CG LEU A 28 0.685 -5.981 10.696 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.274 -6.596 9.687 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.128 -6.191 10.259 1.00 0.00 C ATOM 0 H LEU A 28 -1.118 -4.080 13.190 1.00 0.00 H new ATOM 0 HA LEU A 28 1.760 -4.195 12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.672 -4.328 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.933 -3.938 10.111 1.00 0.00 H new ATOM 0 HG LEU A 28 0.541 -6.479 11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.049 -7.656 9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.298 -6.479 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.162 -6.094 8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.319 -7.257 10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.300 -5.679 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.800 -5.787 11.016 1.00 0.00 H new ATOM 500 N PRO A 29 1.392 -1.718 13.110 1.00 0.00 N ATOM 501 CA PRO A 29 1.437 -0.255 13.179 1.00 0.00 C ATOM 502 C PRO A 29 2.211 0.358 12.017 1.00 0.00 C ATOM 503 O PRO A 29 3.099 -0.276 11.447 1.00 0.00 O ATOM 504 CB PRO A 29 2.158 0.015 14.502 1.00 0.00 C ATOM 505 CG PRO A 29 2.983 -1.202 14.740 1.00 0.00 C ATOM 506 CD PRO A 29 2.201 -2.350 14.165 1.00 0.00 C ATOM 0 HA PRO A 29 0.442 0.186 13.121 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.779 0.908 14.439 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.449 0.177 15.313 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.957 -1.113 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.165 -1.348 15.805 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.857 -3.121 13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.575 -2.828 14.919 1.00 0.00 H new ATOM 514 N LEU A 30 1.867 1.593 11.670 1.00 0.00 N ATOM 515 CA LEU A 30 2.532 2.292 10.575 1.00 0.00 C ATOM 516 C LEU A 30 3.588 3.255 11.104 1.00 0.00 C ATOM 517 O LEU A 30 3.264 4.279 11.705 1.00 0.00 O ATOM 518 CB LEU A 30 1.506 3.054 9.733 1.00 0.00 C ATOM 519 CG LEU A 30 0.263 2.268 9.316 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.920 3.204 9.120 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.535 1.477 8.045 1.00 0.00 C ATOM 0 H LEU A 30 1.133 2.131 12.130 1.00 0.00 H new ATOM 0 HA LEU A 30 3.027 1.549 9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.185 3.932 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.002 3.416 8.832 1.00 0.00 H new ATOM 0 HG LEU A 30 0.016 1.566 10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.796 2.627 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.129 3.727 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.684 3.931 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.360 0.923 7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.807 2.162 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.354 0.779 8.219 1.00 0.00 H new ATOM 533 N ALA A 31 4.854 2.921 10.875 1.00 0.00 N ATOM 534 CA ALA A 31 5.959 3.758 11.325 1.00 0.00 C ATOM 535 C ALA A 31 6.334 4.788 10.265 1.00 0.00 C ATOM 536 O ALA A 31 7.493 5.188 10.157 1.00 0.00 O ATOM 537 CB ALA A 31 7.164 2.898 11.677 1.00 0.00 C ATOM 0 H ALA A 31 5.140 2.076 10.380 1.00 0.00 H new ATOM 0 HA ALA A 31 5.636 4.294 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.982 3.537 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.896 2.205 12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.479 2.336 10.798 1.00 0.00 H new ATOM 543 N GLY A 32 5.347 5.215 9.484 1.00 0.00 N ATOM 544 CA GLY A 32 5.594 6.194 8.443 1.00 0.00 C ATOM 545 C GLY A 32 4.405 7.106 8.210 1.00 0.00 C ATOM 546 O GLY A 32 3.828 7.636 9.158 1.00 0.00 O ATOM 0 H GLY A 32 4.380 4.900 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.462 6.796 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.840 5.678 7.515 1.00 0.00 H new ATOM 550 N GLN A 33 4.041 7.290 6.946 1.00 0.00 N ATOM 551 CA GLN A 33 2.916 8.146 6.592 1.00 0.00 C ATOM 552 C GLN A 33 1.841 7.355 5.852 1.00 0.00 C ATOM 553 O GLN A 33 2.131 6.343 5.213 1.00 0.00 O ATOM 554 CB GLN A 33 3.389 9.317 5.728 1.00 0.00 C ATOM 555 CG GLN A 33 3.800 10.539 6.533 1.00 0.00 C ATOM 556 CD GLN A 33 4.982 10.268 7.443 1.00 0.00 C ATOM 557 OE1 GLN A 33 4.815 9.971 8.626 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.188 10.369 6.894 1.00 0.00 N ATOM 0 H GLN A 33 4.509 6.858 6.149 1.00 0.00 H new ATOM 0 HA GLN A 33 2.485 8.535 7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.233 8.992 5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.591 9.597 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.050 11.351 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.954 10.876 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.281 10.618 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.021 10.198 7.457 1.00 0.00 H new ATOM 567 N VAL A 34 0.601 7.823 5.943 1.00 0.00 N ATOM 568 CA VAL A 34 -0.517 7.160 5.283 1.00 0.00 C ATOM 569 C VAL A 34 -1.227 8.107 4.321 1.00 0.00 C ATOM 570 O VAL A 34 -1.429 9.283 4.626 1.00 0.00 O ATOM 571 CB VAL A 34 -1.537 6.624 6.305 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.639 5.845 5.603 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.842 5.761 7.346 1.00 0.00 C ATOM 0 H VAL A 34 0.345 8.659 6.468 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.101 6.322 4.724 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.995 7.472 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.350 5.474 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.155 6.498 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.203 5.003 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.577 5.390 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.356 4.918 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.094 6.355 7.870 1.00 0.00 H new ATOM 583 N LEU A 35 -1.605 7.587 3.159 1.00 0.00 N ATOM 584 CA LEU A 35 -2.294 8.387 2.151 1.00 0.00 C ATOM 585 C LEU A 35 -3.569 7.691 1.684 1.00 0.00 C ATOM 586 O LEU A 35 -3.566 6.494 1.394 1.00 0.00 O ATOM 587 CB LEU A 35 -1.373 8.642 0.957 1.00 0.00 C ATOM 588 CG LEU A 35 -0.486 9.884 1.048 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.845 9.544 1.701 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.266 10.487 -0.332 1.00 0.00 C ATOM 0 H LEU A 35 -1.447 6.616 2.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.566 9.341 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.732 7.771 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.987 8.724 0.060 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.994 10.623 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.462 10.441 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.670 9.161 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.358 8.787 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.368 11.370 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.219 9.754 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.226 10.770 -0.763 1.00 0.00 H new ATOM 602 N LEU A 36 -4.657 8.450 1.611 1.00 0.00 N ATOM 603 CA LEU A 36 -5.939 7.908 1.176 1.00 0.00 C ATOM 604 C LEU A 36 -6.419 8.598 -0.097 1.00 0.00 C ATOM 605 O LEU A 36 -6.710 9.795 -0.096 1.00 0.00 O ATOM 606 CB LEU A 36 -6.985 8.069 2.281 1.00 0.00 C ATOM 607 CG LEU A 36 -8.444 7.904 1.855 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.722 6.464 1.452 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.379 8.337 2.974 1.00 0.00 C ATOM 0 H LEU A 36 -4.677 9.442 1.847 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.803 6.848 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.772 7.341 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.867 9.058 2.724 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.625 8.543 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.765 6.365 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.077 6.189 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.524 5.805 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.413 8.213 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.197 7.725 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.197 9.384 3.215 1.00 0.00 H new ATOM 621 N LYS A 37 -6.501 7.835 -1.182 1.00 0.00 N ATOM 622 CA LYS A 37 -6.949 8.370 -2.462 1.00 0.00 C ATOM 623 C LYS A 37 -8.324 7.822 -2.831 1.00 0.00 C ATOM 624 O LYS A 37 -8.738 6.774 -2.334 1.00 0.00 O ATOM 625 CB LYS A 37 -5.940 8.030 -3.561 1.00 0.00 C ATOM 626 CG LYS A 37 -4.730 8.947 -3.582 1.00 0.00 C ATOM 627 CD LYS A 37 -5.064 10.296 -4.197 1.00 0.00 C ATOM 628 CE LYS A 37 -3.815 11.005 -4.698 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.971 12.486 -4.677 1.00 0.00 N ATOM 0 H LYS A 37 -6.263 6.843 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.024 9.453 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.604 7.002 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.439 8.079 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.363 9.090 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.926 8.477 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.761 10.158 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.566 10.920 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.964 10.721 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.594 10.678 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.099 12.932 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.768 12.760 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.156 12.802 -3.704 1.00 0.00 H new ATOM 643 N SER A 38 -9.025 8.535 -3.705 1.00 0.00 N ATOM 644 CA SER A 38 -10.354 8.120 -4.139 1.00 0.00 C ATOM 645 C SER A 38 -10.281 6.843 -4.970 1.00 0.00 C ATOM 646 O SER A 38 -10.107 6.891 -6.187 1.00 0.00 O ATOM 647 CB SER A 38 -11.020 9.233 -4.951 1.00 0.00 C ATOM 648 OG SER A 38 -12.360 8.902 -5.267 1.00 0.00 O ATOM 0 H SER A 38 -8.695 9.403 -4.127 1.00 0.00 H new ATOM 0 HA SER A 38 -10.953 7.920 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.996 10.164 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.458 9.403 -5.869 1.00 0.00 H new ATOM 0 HG SER A 38 -12.763 9.630 -5.785 1.00 0.00 H new ATOM 654 N GLY A 39 -10.415 5.702 -4.302 1.00 0.00 N ATOM 655 CA GLY A 39 -10.361 4.426 -4.994 1.00 0.00 C ATOM 656 C GLY A 39 -9.162 3.595 -4.584 1.00 0.00 C ATOM 657 O GLY A 39 -9.120 2.389 -4.829 1.00 0.00 O ATOM 0 H GLY A 39 -10.560 5.637 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.274 3.867 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.328 4.600 -6.069 1.00 0.00 H new ATOM 661 N TYR A 40 -8.182 4.239 -3.960 1.00 0.00 N ATOM 662 CA TYR A 40 -6.974 3.552 -3.519 1.00 0.00 C ATOM 663 C TYR A 40 -6.305 4.307 -2.374 1.00 0.00 C ATOM 664 O TYR A 40 -6.767 5.371 -1.964 1.00 0.00 O ATOM 665 CB TYR A 40 -5.996 3.398 -4.684 1.00 0.00 C ATOM 666 CG TYR A 40 -5.767 4.677 -5.456 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.667 5.094 -6.430 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.653 5.470 -5.211 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.461 6.262 -7.138 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.441 6.641 -5.914 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.347 7.032 -6.877 1.00 0.00 C ATOM 672 OH TYR A 40 -5.141 8.197 -7.580 1.00 0.00 O ATOM 0 H TYR A 40 -8.201 5.237 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.259 2.563 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.041 3.039 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.373 2.635 -5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.542 4.495 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.940 5.166 -4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.169 6.571 -7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.570 7.247 -5.710 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.312 8.621 -7.275 1.00 0.00 H new ATOM 682 N ALA A 41 -5.214 3.747 -1.863 1.00 0.00 N ATOM 683 CA ALA A 41 -4.478 4.367 -0.767 1.00 0.00 C ATOM 684 C ALA A 41 -3.033 3.881 -0.733 1.00 0.00 C ATOM 685 O ALA A 41 -2.720 2.798 -1.226 1.00 0.00 O ATOM 686 CB ALA A 41 -5.165 4.080 0.559 1.00 0.00 C ATOM 0 H ALA A 41 -4.820 2.865 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.468 5.444 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.605 4.549 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.178 4.482 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.205 3.003 0.722 1.00 0.00 H new ATOM 692 N PHE A 42 -2.156 4.691 -0.148 1.00 0.00 N ATOM 693 CA PHE A 42 -0.743 4.344 -0.049 1.00 0.00 C ATOM 694 C PHE A 42 -0.280 4.353 1.405 1.00 0.00 C ATOM 695 O PHE A 42 -0.748 5.155 2.213 1.00 0.00 O ATOM 696 CB PHE A 42 0.101 5.321 -0.871 1.00 0.00 C ATOM 697 CG PHE A 42 -0.441 5.570 -2.249 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.358 4.592 -3.228 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.035 6.781 -2.566 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.856 4.819 -4.497 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.535 7.014 -3.833 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.446 6.031 -4.800 1.00 0.00 C ATOM 0 H PHE A 42 -2.399 5.592 0.264 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.613 3.337 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.166 6.270 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.116 4.932 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.101 3.642 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.108 7.552 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.784 4.049 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.995 7.963 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.837 6.210 -5.791 1.00 0.00 H new ATOM 712 N VAL A 43 0.642 3.453 1.731 1.00 0.00 N ATOM 713 CA VAL A 43 1.169 3.356 3.087 1.00 0.00 C ATOM 714 C VAL A 43 2.680 3.152 3.075 1.00 0.00 C ATOM 715 O VAL A 43 3.213 2.426 2.237 1.00 0.00 O ATOM 716 CB VAL A 43 0.512 2.199 3.863 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.882 2.592 4.327 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.466 0.943 3.007 1.00 0.00 C ATOM 0 H VAL A 43 1.039 2.781 1.075 1.00 0.00 H new ATOM 0 HA VAL A 43 0.936 4.297 3.586 1.00 0.00 H new ATOM 0 HB VAL A 43 1.115 1.986 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.331 1.763 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.816 3.463 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.499 2.833 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.001 0.135 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.114 1.139 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.480 0.653 2.731 1.00 0.00 H new ATOM 728 N ASP A 44 3.366 3.799 4.012 1.00 0.00 N ATOM 729 CA ASP A 44 4.817 3.688 4.112 1.00 0.00 C ATOM 730 C ASP A 44 5.211 2.554 5.052 1.00 0.00 C ATOM 731 O ASP A 44 4.827 2.541 6.222 1.00 0.00 O ATOM 732 CB ASP A 44 5.418 5.006 4.602 1.00 0.00 C ATOM 733 CG ASP A 44 6.861 5.179 4.174 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.520 4.158 3.881 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.333 6.334 4.130 1.00 0.00 O ATOM 0 H ASP A 44 2.940 4.406 4.713 1.00 0.00 H new ATOM 0 HA ASP A 44 5.209 3.466 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.826 5.837 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.357 5.047 5.690 1.00 0.00 H new ATOM 740 N TYR A 45 5.980 1.603 4.533 1.00 0.00 N ATOM 741 CA TYR A 45 6.424 0.462 5.325 1.00 0.00 C ATOM 742 C TYR A 45 7.809 0.713 5.913 1.00 0.00 C ATOM 743 O TYR A 45 8.670 1.338 5.294 1.00 0.00 O ATOM 744 CB TYR A 45 6.444 -0.804 4.468 1.00 0.00 C ATOM 745 CG TYR A 45 7.513 -0.795 3.398 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.853 -0.956 3.726 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.182 -0.624 2.059 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.833 -0.947 2.752 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.155 -0.615 1.078 1.00 0.00 C ATOM 750 CZ TYR A 45 9.479 -0.777 1.430 1.00 0.00 C ATOM 751 OH TYR A 45 10.452 -0.768 0.456 1.00 0.00 O ATOM 0 H TYR A 45 6.309 1.600 3.567 1.00 0.00 H new ATOM 0 HA TYR A 45 5.720 0.326 6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.597 -1.668 5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.470 -0.928 3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.134 -1.091 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.146 -0.496 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.871 -1.072 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.881 -0.482 0.042 1.00 0.00 H new ATOM 0 HH TYR A 45 10.035 -0.639 -0.422 1.00 0.00 H new ATOM 761 N PRO A 46 8.030 0.213 7.138 1.00 0.00 N ATOM 762 CA PRO A 46 9.309 0.370 7.838 1.00 0.00 C ATOM 763 C PRO A 46 10.425 -0.449 7.196 1.00 0.00 C ATOM 764 O PRO A 46 11.514 0.064 6.939 1.00 0.00 O ATOM 765 CB PRO A 46 9.008 -0.148 9.246 1.00 0.00 C ATOM 766 CG PRO A 46 7.871 -1.093 9.068 1.00 0.00 C ATOM 767 CD PRO A 46 7.049 -0.542 7.935 1.00 0.00 C ATOM 0 HA PRO A 46 9.663 1.401 7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.875 -0.649 9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.743 0.667 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.230 -2.096 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.279 -1.167 9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.584 -1.337 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.246 0.100 8.296 1.00 0.00 H new ATOM 775 N ASP A 47 10.146 -1.722 6.940 1.00 0.00 N ATOM 776 CA ASP A 47 11.125 -2.611 6.327 1.00 0.00 C ATOM 777 C ASP A 47 10.462 -3.529 5.305 1.00 0.00 C ATOM 778 O ASP A 47 9.236 -3.637 5.258 1.00 0.00 O ATOM 779 CB ASP A 47 11.830 -3.445 7.398 1.00 0.00 C ATOM 780 CG ASP A 47 13.021 -2.727 7.999 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.800 -2.123 7.232 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.176 -2.768 9.238 1.00 0.00 O ATOM 0 H ASP A 47 9.249 -2.162 7.148 1.00 0.00 H new ATOM 0 HA ASP A 47 11.863 -1.997 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.121 -3.691 8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.160 -4.388 6.962 1.00 0.00 H new ATOM 787 N GLN A 48 11.278 -4.186 4.488 1.00 0.00 N ATOM 788 CA GLN A 48 10.770 -5.093 3.466 1.00 0.00 C ATOM 789 C GLN A 48 10.044 -6.275 4.100 1.00 0.00 C ATOM 790 O GLN A 48 8.993 -6.699 3.623 1.00 0.00 O ATOM 791 CB GLN A 48 11.914 -5.594 2.584 1.00 0.00 C ATOM 792 CG GLN A 48 11.506 -6.710 1.635 1.00 0.00 C ATOM 793 CD GLN A 48 12.386 -6.778 0.401 1.00 0.00 C ATOM 794 OE1 GLN A 48 11.947 -6.464 -0.705 1.00 0.00 O ATOM 795 NE2 GLN A 48 13.635 -7.189 0.587 1.00 0.00 N ATOM 0 H GLN A 48 12.295 -4.107 4.514 1.00 0.00 H new ATOM 0 HA GLN A 48 10.060 -4.543 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.306 -4.759 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.725 -5.948 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.550 -7.664 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.470 -6.562 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.956 -7.439 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.274 -7.255 -0.206 1.00 0.00 H new ATOM 804 N ASN A 49 10.614 -6.804 5.179 1.00 0.00 N ATOM 805 CA ASN A 49 10.022 -7.939 5.877 1.00 0.00 C ATOM 806 C ASN A 49 8.647 -7.580 6.430 1.00 0.00 C ATOM 807 O ASN A 49 7.718 -8.388 6.386 1.00 0.00 O ATOM 808 CB ASN A 49 10.937 -8.397 7.015 1.00 0.00 C ATOM 809 CG ASN A 49 12.142 -9.169 6.512 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.511 -9.073 5.341 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.761 -9.941 7.397 1.00 0.00 N ATOM 0 H ASN A 49 11.485 -6.465 5.588 1.00 0.00 H new ATOM 0 HA ASN A 49 9.906 -8.753 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.275 -7.527 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.370 -9.022 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.577 -10.485 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.421 -9.990 8.357 1.00 0.00 H new ATOM 818 N TRP A 50 8.522 -6.363 6.949 1.00 0.00 N ATOM 819 CA TRP A 50 7.260 -5.897 7.510 1.00 0.00 C ATOM 820 C TRP A 50 6.190 -5.793 6.429 1.00 0.00 C ATOM 821 O TRP A 50 5.038 -6.171 6.643 1.00 0.00 O ATOM 822 CB TRP A 50 7.450 -4.540 8.189 1.00 0.00 C ATOM 823 CG TRP A 50 6.175 -3.959 8.723 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.762 -3.946 10.024 1.00 0.00 C ATOM 825 CD2 TRP A 50 5.148 -3.308 7.967 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.540 -3.326 10.123 1.00 0.00 N ATOM 827 CE2 TRP A 50 4.142 -2.925 8.875 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.982 -3.009 6.612 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.987 -2.261 8.470 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.835 -2.350 6.211 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.851 -1.982 7.137 1.00 0.00 C ATOM 0 H TRP A 50 9.280 -5.682 6.993 1.00 0.00 H new ATOM 0 HA TRP A 50 6.931 -6.624 8.253 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.162 -4.648 9.007 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.888 -3.842 7.475 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.315 -4.362 10.853 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.014 -3.187 10.986 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.736 -3.288 5.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.226 -1.977 9.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.695 -2.115 5.166 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.966 -1.467 6.792 1.00 0.00 H new ATOM 842 N ALA A 51 6.577 -5.277 5.267 1.00 0.00 N ATOM 843 CA ALA A 51 5.650 -5.125 4.151 1.00 0.00 C ATOM 844 C ALA A 51 5.154 -6.481 3.662 1.00 0.00 C ATOM 845 O ALA A 51 3.951 -6.693 3.505 1.00 0.00 O ATOM 846 CB ALA A 51 6.314 -4.362 3.014 1.00 0.00 C ATOM 0 H ALA A 51 7.526 -4.957 5.073 1.00 0.00 H new ATOM 0 HA ALA A 51 4.788 -4.557 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.611 -4.256 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.614 -3.374 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.194 -4.909 2.674 1.00 0.00 H new ATOM 852 N ILE A 52 6.087 -7.396 3.421 1.00 0.00 N ATOM 853 CA ILE A 52 5.743 -8.731 2.949 1.00 0.00 C ATOM 854 C ILE A 52 4.813 -9.438 3.930 1.00 0.00 C ATOM 855 O ILE A 52 3.823 -10.051 3.530 1.00 0.00 O ATOM 856 CB ILE A 52 7.000 -9.595 2.738 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.931 -8.939 1.716 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.612 -10.996 2.286 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.358 -9.433 1.793 1.00 0.00 C ATOM 0 H ILE A 52 7.087 -7.237 3.545 1.00 0.00 H new ATOM 0 HA ILE A 52 5.233 -8.606 1.994 1.00 0.00 H new ATOM 0 HB ILE A 52 7.530 -9.675 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.545 -9.124 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.920 -7.860 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.512 -11.594 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.985 -11.463 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.061 -10.936 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.960 -8.925 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.763 -9.223 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.381 -10.508 1.612 1.00 0.00 H new ATOM 871 N ARG A 53 5.139 -9.347 5.215 1.00 0.00 N ATOM 872 CA ARG A 53 4.332 -9.978 6.254 1.00 0.00 C ATOM 873 C ARG A 53 2.991 -9.266 6.407 1.00 0.00 C ATOM 874 O ARG A 53 1.953 -9.907 6.570 1.00 0.00 O ATOM 875 CB ARG A 53 5.083 -9.969 7.587 1.00 0.00 C ATOM 876 CG ARG A 53 4.703 -11.118 8.507 1.00 0.00 C ATOM 877 CD ARG A 53 5.310 -12.431 8.038 1.00 0.00 C ATOM 878 NE ARG A 53 6.751 -12.478 8.260 1.00 0.00 N ATOM 879 CZ ARG A 53 7.306 -12.643 9.455 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.544 -12.778 10.531 1.00 0.00 N ATOM 881 NH2 ARG A 53 8.628 -12.675 9.577 1.00 0.00 N ATOM 0 H ARG A 53 5.955 -8.843 5.562 1.00 0.00 H new ATOM 0 HA ARG A 53 4.144 -11.010 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.154 -10.010 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.889 -9.026 8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.041 -10.901 9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.618 -11.211 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.835 -13.258 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.102 -12.568 6.977 1.00 0.00 H new ATOM 0 HE ARG A 53 7.366 -12.379 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.528 -12.755 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.973 -12.905 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.219 -12.573 8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.052 -12.802 10.496 1.00 0.00 H new ATOM 895 N ALA A 54 3.022 -7.939 6.356 1.00 0.00 N ATOM 896 CA ALA A 54 1.809 -7.141 6.487 1.00 0.00 C ATOM 897 C ALA A 54 0.844 -7.415 5.339 1.00 0.00 C ATOM 898 O ALA A 54 -0.357 -7.585 5.553 1.00 0.00 O ATOM 899 CB ALA A 54 2.156 -5.661 6.546 1.00 0.00 C ATOM 0 H ALA A 54 3.874 -7.393 6.225 1.00 0.00 H new ATOM 0 HA ALA A 54 1.315 -7.425 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.241 -5.076 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.801 -5.472 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.675 -5.372 5.632 1.00 0.00 H new ATOM 905 N ILE A 55 1.376 -7.456 4.123 1.00 0.00 N ATOM 906 CA ILE A 55 0.561 -7.710 2.941 1.00 0.00 C ATOM 907 C ILE A 55 -0.100 -9.083 3.014 1.00 0.00 C ATOM 908 O ILE A 55 -1.299 -9.219 2.773 1.00 0.00 O ATOM 909 CB ILE A 55 1.397 -7.623 1.651 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.960 -6.210 1.476 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.554 -8.017 0.446 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.275 -6.172 0.732 1.00 0.00 C ATOM 0 H ILE A 55 2.368 -7.317 3.930 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.209 -6.939 2.917 1.00 0.00 H new ATOM 0 HB ILE A 55 2.232 -8.319 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.231 -5.601 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.094 -5.757 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.159 -7.951 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.198 -9.040 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.299 -7.343 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.614 -5.140 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.018 -6.754 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.142 -6.595 -0.264 1.00 0.00 H new ATOM 924 N GLU A 56 0.692 -10.097 3.349 1.00 0.00 N ATOM 925 CA GLU A 56 0.183 -11.460 3.455 1.00 0.00 C ATOM 926 C GLU A 56 -0.868 -11.564 4.556 1.00 0.00 C ATOM 927 O GLU A 56 -1.833 -12.320 4.440 1.00 0.00 O ATOM 928 CB GLU A 56 1.328 -12.435 3.733 1.00 0.00 C ATOM 929 CG GLU A 56 1.999 -12.962 2.475 1.00 0.00 C ATOM 930 CD GLU A 56 2.241 -11.876 1.445 1.00 0.00 C ATOM 931 OE1 GLU A 56 1.260 -11.417 0.825 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.412 -11.485 1.261 1.00 0.00 O ATOM 0 H GLU A 56 1.687 -10.001 3.551 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.284 -11.721 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.075 -11.938 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.945 -13.277 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.950 -13.424 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.378 -13.742 2.036 1.00 0.00 H new ATOM 939 N THR A 57 -0.672 -10.801 5.627 1.00 0.00 N ATOM 940 CA THR A 57 -1.601 -10.808 6.750 1.00 0.00 C ATOM 941 C THR A 57 -2.816 -9.934 6.465 1.00 0.00 C ATOM 942 O THR A 57 -3.892 -10.145 7.027 1.00 0.00 O ATOM 943 CB THR A 57 -0.923 -10.317 8.043 1.00 0.00 C ATOM 944 OG1 THR A 57 0.140 -11.206 8.406 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.927 -10.228 9.182 1.00 0.00 C ATOM 0 H THR A 57 0.122 -10.171 5.740 1.00 0.00 H new ATOM 0 HA THR A 57 -1.923 -11.840 6.886 1.00 0.00 H new ATOM 0 HB THR A 57 -0.518 -9.322 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.945 -10.980 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.424 -9.879 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.719 -9.529 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.358 -11.212 9.365 1.00 0.00 H new ATOM 953 N LEU A 58 -2.640 -8.951 5.588 1.00 0.00 N ATOM 954 CA LEU A 58 -3.724 -8.045 5.227 1.00 0.00 C ATOM 955 C LEU A 58 -4.346 -8.443 3.892 1.00 0.00 C ATOM 956 O LEU A 58 -5.468 -8.947 3.844 1.00 0.00 O ATOM 957 CB LEU A 58 -3.209 -6.606 5.153 1.00 0.00 C ATOM 958 CG LEU A 58 -2.653 -6.025 6.453 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.927 -4.716 6.185 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.770 -5.819 7.465 1.00 0.00 C ATOM 0 H LEU A 58 -1.757 -8.762 5.114 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.491 -8.111 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.428 -6.559 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.023 -5.967 4.812 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.938 -6.735 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.538 -4.317 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.102 -4.892 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.620 -3.999 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.356 -5.405 8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.508 -5.129 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.247 -6.775 7.680 1.00 0.00 H new ATOM 972 N SER A 59 -3.608 -8.216 2.811 1.00 0.00 N ATOM 973 CA SER A 59 -4.087 -8.550 1.475 1.00 0.00 C ATOM 974 C SER A 59 -4.501 -10.017 1.397 1.00 0.00 C ATOM 975 O SER A 59 -3.703 -10.914 1.667 1.00 0.00 O ATOM 976 CB SER A 59 -3.004 -8.259 0.433 1.00 0.00 C ATOM 977 OG SER A 59 -3.548 -8.238 -0.875 1.00 0.00 O ATOM 0 H SER A 59 -2.676 -7.802 2.834 1.00 0.00 H new ATOM 0 HA SER A 59 -4.960 -7.932 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.534 -7.300 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.223 -9.017 0.494 1.00 0.00 H new ATOM 0 HG SER A 59 -2.831 -8.369 -1.530 1.00 0.00 H new ATOM 983 N GLY A 60 -5.756 -10.253 1.025 1.00 0.00 N ATOM 984 CA GLY A 60 -6.255 -11.611 0.918 1.00 0.00 C ATOM 985 C GLY A 60 -6.629 -12.199 2.265 1.00 0.00 C ATOM 986 O GLY A 60 -7.119 -13.325 2.343 1.00 0.00 O ATOM 0 H GLY A 60 -6.435 -9.528 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.127 -11.624 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.496 -12.238 0.449 1.00 0.00 H new ATOM 990 N LYS A 61 -6.397 -11.435 3.327 1.00 0.00 N ATOM 991 CA LYS A 61 -6.712 -11.886 4.676 1.00 0.00 C ATOM 992 C LYS A 61 -7.490 -10.818 5.439 1.00 0.00 C ATOM 993 O LYS A 61 -7.666 -10.912 6.654 1.00 0.00 O ATOM 994 CB LYS A 61 -5.428 -12.234 5.433 1.00 0.00 C ATOM 995 CG LYS A 61 -4.826 -13.567 5.027 1.00 0.00 C ATOM 996 CD LYS A 61 -3.793 -14.043 6.036 1.00 0.00 C ATOM 997 CE LYS A 61 -3.193 -15.380 5.630 1.00 0.00 C ATOM 998 NZ LYS A 61 -2.024 -15.211 4.721 1.00 0.00 N ATOM 0 H LYS A 61 -5.992 -10.500 3.279 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.334 -12.778 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.693 -11.447 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.640 -12.251 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.617 -14.312 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.361 -13.474 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.001 -13.300 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.257 -14.134 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.884 -15.925 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.953 -15.984 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.216 -15.687 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.860 -14.198 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.179 -15.630 5.160 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.955 -9.803 4.718 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.716 -8.718 5.326 1.00 0.00 C ATOM 1014 C VAL A 62 -9.775 -8.184 4.366 1.00 0.00 C ATOM 1015 O VAL A 62 -9.486 -7.902 3.204 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.797 -7.559 5.756 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.620 -6.388 6.271 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.806 -8.029 6.809 1.00 0.00 C ATOM 0 H VAL A 62 -7.818 -9.709 3.712 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.205 -9.130 6.209 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.235 -7.221 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.954 -5.579 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.286 -6.037 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.210 -6.708 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.164 -7.198 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.348 -8.394 7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.194 -8.833 6.400 1.00 0.00 H new ATOM 1028 N GLU A 63 -11.000 -8.047 4.862 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.101 -7.547 4.048 1.00 0.00 C ATOM 1030 C GLU A 63 -12.677 -6.263 4.641 1.00 0.00 C ATOM 1031 O GLU A 63 -12.943 -6.185 5.840 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.199 -8.605 3.931 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.472 -8.092 3.279 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.287 -9.199 2.638 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.676 -10.142 3.358 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.535 -9.123 1.416 1.00 0.00 O ATOM 0 H GLU A 63 -11.255 -8.275 5.823 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.713 -7.325 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.819 -9.448 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.437 -8.981 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.080 -7.585 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.215 -7.351 2.522 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.866 -5.260 3.791 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.409 -3.979 4.229 1.00 0.00 C ATOM 1045 C LEU A 64 -14.655 -3.614 3.428 1.00 0.00 C ATOM 1046 O LEU A 64 -14.626 -3.576 2.198 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.356 -2.880 4.084 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.467 -1.710 5.064 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.386 -2.206 6.498 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.379 -0.682 4.791 1.00 0.00 C ATOM 0 H LEU A 64 -12.651 -5.309 2.795 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.688 -4.070 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.370 -3.331 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.410 -2.485 3.070 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.436 -1.231 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.467 -1.360 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.201 -2.905 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.432 -2.710 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.473 0.143 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.401 -1.148 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.483 -0.303 3.774 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.748 -3.342 4.135 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.004 -2.977 3.490 1.00 0.00 C ATOM 1064 C HIS A 65 -17.514 -4.114 2.609 1.00 0.00 C ATOM 1065 O HIS A 65 -18.194 -3.882 1.611 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.822 -1.711 2.653 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.013 -0.445 3.432 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.237 0.172 3.578 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.124 0.317 4.112 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.093 1.261 4.313 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.821 1.372 4.649 1.00 0.00 N ATOM 0 H HIS A 65 -15.789 -3.368 5.154 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.742 -2.786 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.822 -1.713 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.530 -1.728 1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.065 0.130 4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.882 1.944 4.591 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.421 2.120 5.215 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.178 -5.345 2.987 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.610 -6.498 2.220 1.00 0.00 C ATOM 1081 C GLY A 66 -16.744 -6.742 1.000 1.00 0.00 C ATOM 1082 O GLY A 66 -17.017 -7.639 0.202 1.00 0.00 O ATOM 0 H GLY A 66 -16.615 -5.563 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.591 -7.382 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.644 -6.354 1.905 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.694 -5.940 0.853 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.783 -6.071 -0.278 1.00 0.00 C ATOM 1088 C LYS A 67 -13.368 -6.383 0.197 1.00 0.00 C ATOM 1089 O LYS A 67 -12.841 -5.717 1.088 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.782 -4.786 -1.109 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.005 -4.634 -1.997 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.327 -3.173 -2.257 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.252 -2.607 -1.191 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.997 -1.413 -1.677 1.00 0.00 N ATOM 0 H LYS A 67 -15.453 -5.192 1.504 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.129 -6.898 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.722 -3.929 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.887 -4.766 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.833 -5.144 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.860 -5.118 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.403 -2.595 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.794 -3.071 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.960 -3.375 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.669 -2.337 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.470 -0.949 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.333 -0.747 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.709 -1.709 -2.375 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.758 -7.398 -0.406 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.402 -7.797 -0.045 1.00 0.00 C ATOM 1110 C ILE A 68 -10.391 -6.731 -0.450 1.00 0.00 C ATOM 1111 O ILE A 68 -10.351 -6.305 -1.605 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.014 -9.133 -0.704 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.104 -10.182 -0.463 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.677 -9.620 -0.168 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.298 -10.526 0.997 1.00 0.00 C ATOM 0 H ILE A 68 -13.180 -7.959 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.386 -7.918 1.038 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.917 -8.976 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.046 -9.815 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.851 -11.089 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.417 -10.566 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.907 -8.880 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.748 -9.764 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.085 -11.274 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.368 -10.923 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.581 -9.629 1.548 1.00 0.00 H new ATOM 1127 N MET A 69 -9.571 -6.305 0.506 1.00 0.00 N ATOM 1128 CA MET A 69 -8.557 -5.291 0.247 1.00 0.00 C ATOM 1129 C MET A 69 -7.302 -5.918 -0.354 1.00 0.00 C ATOM 1130 O MET A 69 -6.857 -6.978 0.086 1.00 0.00 O ATOM 1131 CB MET A 69 -8.203 -4.552 1.540 1.00 0.00 C ATOM 1132 CG MET A 69 -7.084 -5.210 2.329 1.00 0.00 C ATOM 1133 SD MET A 69 -7.014 -4.643 4.039 1.00 0.00 S ATOM 1134 CE MET A 69 -6.493 -2.945 3.812 1.00 0.00 C ATOM 0 H MET A 69 -9.590 -6.647 1.467 1.00 0.00 H new ATOM 0 HA MET A 69 -8.965 -4.579 -0.470 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.913 -3.530 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.092 -4.490 2.168 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.221 -6.291 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.131 -5.003 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.602 -2.755 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.268 -2.771 2.760 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.292 -2.274 4.128 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.739 -5.256 -1.360 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.537 -5.750 -2.021 1.00 0.00 C ATOM 1146 C GLU A 70 -4.347 -4.836 -1.740 1.00 0.00 C ATOM 1147 O GLU A 70 -4.430 -3.620 -1.913 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.766 -5.861 -3.529 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.531 -6.293 -4.303 1.00 0.00 C ATOM 1150 CD GLU A 70 -3.564 -5.150 -4.541 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -3.858 -4.293 -5.401 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -2.512 -5.113 -3.868 1.00 0.00 O ATOM 0 H GLU A 70 -7.096 -4.377 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.314 -6.740 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.569 -6.575 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.103 -4.897 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.022 -7.086 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.836 -6.712 -5.262 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.241 -5.431 -1.307 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.033 -4.672 -1.004 1.00 0.00 C ATOM 1161 C VAL A 71 -0.842 -5.192 -1.801 1.00 0.00 C ATOM 1162 O VAL A 71 -0.580 -6.395 -1.831 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.696 -4.729 0.497 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.638 -3.694 0.849 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.952 -4.524 1.333 1.00 0.00 C ATOM 0 H VAL A 71 -3.156 -6.436 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.231 -3.638 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.292 -5.716 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.414 -3.751 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.268 -3.891 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.009 -2.698 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.696 -4.567 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.386 -3.551 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.674 -5.307 1.102 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.123 -4.279 -2.444 1.00 0.00 N ATOM 1176 CA ASP A 72 1.042 -4.645 -3.241 1.00 0.00 C ATOM 1177 C ASP A 72 2.013 -3.474 -3.352 1.00 0.00 C ATOM 1178 O ASP A 72 1.620 -2.314 -3.227 1.00 0.00 O ATOM 1179 CB ASP A 72 0.610 -5.100 -4.637 1.00 0.00 C ATOM 1180 CG ASP A 72 0.241 -6.569 -4.678 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.043 -7.396 -4.194 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -0.849 -6.893 -5.194 1.00 0.00 O ATOM 0 H ASP A 72 -0.326 -3.280 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 72 1.550 -5.469 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.243 -4.505 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.418 -4.911 -5.344 1.00 0.00 H new ATOM 1187 N TYR A 73 3.283 -3.787 -3.586 1.00 0.00 N ATOM 1188 CA TYR A 73 4.312 -2.761 -3.711 1.00 0.00 C ATOM 1189 C TYR A 73 3.922 -1.723 -4.759 1.00 0.00 C ATOM 1190 O TYR A 73 3.680 -2.057 -5.920 1.00 0.00 O ATOM 1191 CB TYR A 73 5.654 -3.397 -4.080 1.00 0.00 C ATOM 1192 CG TYR A 73 6.306 -4.139 -2.936 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.727 -3.468 -1.796 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.503 -5.514 -2.998 1.00 0.00 C ATOM 1195 CE1 TYR A 73 7.325 -4.143 -0.748 1.00 0.00 C ATOM 1196 CE2 TYR A 73 7.098 -6.197 -1.955 1.00 0.00 C ATOM 1197 CZ TYR A 73 7.508 -5.507 -0.833 1.00 0.00 C ATOM 1198 OH TYR A 73 8.102 -6.184 0.207 1.00 0.00 O ATOM 0 H TYR A 73 3.624 -4.742 -3.693 1.00 0.00 H new ATOM 0 HA TYR A 73 4.408 -2.259 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.504 -4.086 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.332 -2.618 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.585 -2.400 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.186 -6.057 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.647 -3.605 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.241 -7.266 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 73 8.331 -5.552 0.920 1.00 0.00 H new ATOM 1208 N SER A 74 3.866 -0.462 -4.341 1.00 0.00 N ATOM 1209 CA SER A 74 3.502 0.626 -5.242 1.00 0.00 C ATOM 1210 C SER A 74 4.592 0.853 -6.287 1.00 0.00 C ATOM 1211 O SER A 74 5.478 1.688 -6.104 1.00 0.00 O ATOM 1212 CB SER A 74 3.263 1.913 -4.451 1.00 0.00 C ATOM 1213 OG SER A 74 3.036 3.010 -5.318 1.00 0.00 O ATOM 0 H SER A 74 4.068 -0.169 -3.385 1.00 0.00 H new ATOM 0 HA SER A 74 2.582 0.347 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.405 1.784 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.125 2.119 -3.817 1.00 0.00 H new ATOM 0 HG SER A 74 2.884 3.820 -4.788 1.00 0.00 H new