USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 31:sc= 0.0932 USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= 0.492 (180deg=0.121) USER MOD Single : A 16 TYR OH : rot 139:sc= -3.57! USER MOD Single : A 17 ASN : amide:sc= -6.95! C(o=-6.9!,f=-9.8!) USER MOD Single : A 24 ASN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.87! C(o=-3.9!,f=-12!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc=-0.00953 (180deg=-0.139) USER MOD Single : A 43 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ 129:sc= -0.0929 (180deg=-0.593) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -38:sc= -1.29 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00153 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 3.262 2.834 2.789 1.00 0.00 N ATOM 109 CA THR A 11 3.293 2.878 1.332 1.00 0.00 C ATOM 110 C THR A 11 3.484 1.485 0.744 1.00 0.00 C ATOM 111 O THR A 11 2.739 1.067 -0.142 1.00 0.00 O ATOM 112 CB THR A 11 4.419 3.797 0.822 1.00 0.00 C ATOM 113 OG1 THR A 11 4.257 5.114 1.360 1.00 0.00 O ATOM 114 CG2 THR A 11 4.419 3.860 -0.698 1.00 0.00 C ATOM 0 HA THR A 11 2.332 3.278 1.007 1.00 0.00 H new ATOM 0 HB THR A 11 5.373 3.385 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.844 5.057 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.223 4.515 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.572 2.860 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.463 4.251 -1.046 1.00 0.00 H new ATOM 122 N ASP A 12 4.486 0.769 1.243 1.00 0.00 N ATOM 123 CA ASP A 12 4.774 -0.579 0.768 1.00 0.00 C ATOM 124 C ASP A 12 4.233 -1.624 1.738 1.00 0.00 C ATOM 125 O ASP A 12 3.792 -2.698 1.328 1.00 0.00 O ATOM 126 CB ASP A 12 6.281 -0.767 0.585 1.00 0.00 C ATOM 127 CG ASP A 12 6.830 0.048 -0.569 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.417 -0.201 -1.722 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.673 0.935 -0.321 1.00 0.00 O ATOM 0 H ASP A 12 5.112 1.100 1.977 1.00 0.00 H new ATOM 0 HA ASP A 12 4.279 -0.712 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.794 -0.482 1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.495 -1.822 0.415 1.00 0.00 H new ATOM 134 N LYS A 13 4.269 -1.303 3.026 1.00 0.00 N ATOM 135 CA LYS A 13 3.782 -2.214 4.056 1.00 0.00 C ATOM 136 C LYS A 13 2.328 -2.596 3.801 1.00 0.00 C ATOM 137 O LYS A 13 1.880 -3.672 4.197 1.00 0.00 O ATOM 138 CB LYS A 13 3.916 -1.571 5.439 1.00 0.00 C ATOM 139 CG LYS A 13 5.329 -1.118 5.764 1.00 0.00 C ATOM 140 CD LYS A 13 5.342 -0.099 6.892 1.00 0.00 C ATOM 141 CE LYS A 13 6.510 0.865 6.758 1.00 0.00 C ATOM 142 NZ LYS A 13 7.731 0.356 7.441 1.00 0.00 N ATOM 0 H LYS A 13 4.630 -0.418 3.383 1.00 0.00 H new ATOM 0 HA LYS A 13 4.389 -3.119 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.246 -0.714 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.589 -2.284 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.933 -1.981 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.787 -0.684 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.406 0.459 6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.403 -0.616 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.726 1.029 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.234 1.831 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.575 0.653 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.775 0.741 8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.697 -0.683 7.484 1.00 0.00 H new ATOM 156 N ALA A 14 1.596 -1.709 3.134 1.00 0.00 N ATOM 157 CA ALA A 14 0.193 -1.956 2.823 1.00 0.00 C ATOM 158 C ALA A 14 0.044 -3.121 1.850 1.00 0.00 C ATOM 159 O ALA A 14 -0.842 -3.963 2.005 1.00 0.00 O ATOM 160 CB ALA A 14 -0.449 -0.702 2.250 1.00 0.00 C ATOM 0 H ALA A 14 1.951 -0.813 2.799 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.318 -2.222 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.496 -0.901 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.383 0.106 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.072 -0.411 1.338 1.00 0.00 H new ATOM 166 N LEU A 15 0.914 -3.164 0.848 1.00 0.00 N ATOM 167 CA LEU A 15 0.879 -4.226 -0.152 1.00 0.00 C ATOM 168 C LEU A 15 0.759 -5.594 0.511 1.00 0.00 C ATOM 169 O LEU A 15 0.061 -6.478 0.013 1.00 0.00 O ATOM 170 CB LEU A 15 2.136 -4.176 -1.022 1.00 0.00 C ATOM 171 CG LEU A 15 2.204 -3.036 -2.039 1.00 0.00 C ATOM 172 CD1 LEU A 15 1.402 -3.382 -3.284 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.700 -1.740 -1.421 1.00 0.00 C ATOM 0 H LEU A 15 1.653 -2.476 0.706 1.00 0.00 H new ATOM 0 HA LEU A 15 0.003 -4.070 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.004 -4.104 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.220 -5.121 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 15 3.245 -2.896 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.462 -2.559 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.808 -4.286 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.360 -3.550 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.755 -0.939 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.666 -1.868 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.317 -1.483 -0.560 1.00 0.00 H new ATOM 185 N TYR A 16 1.442 -5.761 1.639 1.00 0.00 N ATOM 186 CA TYR A 16 1.412 -7.021 2.371 1.00 0.00 C ATOM 187 C TYR A 16 -0.004 -7.351 2.832 1.00 0.00 C ATOM 188 O TYR A 16 -0.579 -8.363 2.435 1.00 0.00 O ATOM 189 CB TYR A 16 2.351 -6.957 3.577 1.00 0.00 C ATOM 190 CG TYR A 16 3.756 -7.428 3.276 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.393 -7.065 2.096 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.446 -8.236 4.171 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.677 -7.492 1.816 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.730 -8.668 3.900 1.00 0.00 C ATOM 195 CZ TYR A 16 6.341 -8.293 2.721 1.00 0.00 C ATOM 196 OH TYR A 16 7.620 -8.722 2.448 1.00 0.00 O ATOM 0 H TYR A 16 2.023 -5.039 2.066 1.00 0.00 H new ATOM 0 HA TYR A 16 1.748 -7.810 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.391 -5.931 3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.937 -7.565 4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.876 -6.438 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.970 -8.532 5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.158 -7.200 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.252 -9.296 4.607 1.00 0.00 H new ATOM 0 HH TYR A 16 8.163 -8.672 3.263 1.00 0.00 H new ATOM 206 N ASN A 17 -0.562 -6.485 3.673 1.00 0.00 N ATOM 207 CA ASN A 17 -1.912 -6.683 4.189 1.00 0.00 C ATOM 208 C ASN A 17 -2.827 -7.260 3.113 1.00 0.00 C ATOM 209 O ASN A 17 -3.750 -8.018 3.410 1.00 0.00 O ATOM 210 CB ASN A 17 -2.482 -5.359 4.703 1.00 0.00 C ATOM 211 CG ASN A 17 -3.222 -4.591 3.626 1.00 0.00 C ATOM 212 OD1 ASN A 17 -4.174 -5.096 3.030 1.00 0.00 O ATOM 213 ND2 ASN A 17 -2.787 -3.363 3.370 1.00 0.00 N ATOM 0 H ASN A 17 -0.101 -5.640 4.011 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.859 -7.393 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.159 -5.556 5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.670 -4.744 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.245 -2.798 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.994 -2.984 3.888 1.00 0.00 H new ATOM 220 N ARG A 18 -2.563 -6.895 1.862 1.00 0.00 N ATOM 221 CA ARG A 18 -3.363 -7.375 0.742 1.00 0.00 C ATOM 222 C ARG A 18 -2.801 -8.684 0.195 1.00 0.00 C ATOM 223 O ARG A 18 -3.546 -9.628 -0.075 1.00 0.00 O ATOM 224 CB ARG A 18 -3.409 -6.324 -0.368 1.00 0.00 C ATOM 225 CG ARG A 18 -4.020 -5.003 0.070 1.00 0.00 C ATOM 226 CD ARG A 18 -3.982 -3.973 -1.049 1.00 0.00 C ATOM 227 NE ARG A 18 -3.925 -2.608 -0.535 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.127 -1.531 -1.285 1.00 0.00 C ATOM 229 NH1 ARG A 18 -4.397 -1.660 -2.577 1.00 0.00 N ATOM 230 NH2 ARG A 18 -4.058 -0.321 -0.745 1.00 0.00 N ATOM 0 H ARG A 18 -1.802 -6.269 1.599 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.376 -7.556 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.396 -6.144 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.981 -6.719 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.052 -5.164 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.480 -4.621 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.115 -4.158 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.866 -4.087 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.719 -2.474 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.450 -2.588 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.552 -0.831 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.849 -0.217 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.213 0.505 -1.323 1.00 0.00 H new ATOM 244 N LEU A 19 -1.484 -8.734 0.032 1.00 0.00 N ATOM 245 CA LEU A 19 -0.821 -9.926 -0.484 1.00 0.00 C ATOM 246 C LEU A 19 -1.074 -11.126 0.423 1.00 0.00 C ATOM 247 O LEU A 19 -1.620 -12.141 -0.010 1.00 0.00 O ATOM 248 CB LEU A 19 0.683 -9.681 -0.616 1.00 0.00 C ATOM 249 CG LEU A 19 1.144 -9.015 -1.913 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.561 -8.483 -1.766 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.057 -9.993 -3.075 1.00 0.00 C ATOM 0 H LEU A 19 -0.854 -7.962 0.250 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.235 -10.144 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.005 -9.061 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.196 -10.638 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 19 0.483 -8.174 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.872 -8.013 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.592 -7.748 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.236 -9.306 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.389 -9.502 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.694 -10.854 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.026 -10.325 -3.195 1.00 0.00 H new ATOM 263 N VAL A 20 -0.676 -11.002 1.685 1.00 0.00 N ATOM 264 CA VAL A 20 -0.863 -12.074 2.655 1.00 0.00 C ATOM 265 C VAL A 20 -1.921 -11.703 3.688 1.00 0.00 C ATOM 266 O VAL A 20 -1.615 -11.308 4.813 1.00 0.00 O ATOM 267 CB VAL A 20 0.453 -12.409 3.382 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.000 -11.179 4.090 1.00 0.00 C ATOM 269 CG2 VAL A 20 0.242 -13.551 4.365 1.00 0.00 C ATOM 0 H VAL A 20 -0.222 -10.169 2.060 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.195 -12.950 2.098 1.00 0.00 H new ATOM 0 HB VAL A 20 1.186 -12.728 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.930 -11.435 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.190 -10.393 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.272 -10.826 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.182 -13.775 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.507 -13.262 5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.101 -14.435 3.827 1.00 0.00 H new ATOM 279 N PRO A 21 -3.198 -11.832 3.299 1.00 0.00 N ATOM 280 CA PRO A 21 -4.329 -11.516 4.177 1.00 0.00 C ATOM 281 C PRO A 21 -4.473 -12.516 5.318 1.00 0.00 C ATOM 282 O PRO A 21 -3.750 -13.511 5.381 1.00 0.00 O ATOM 283 CB PRO A 21 -5.538 -11.594 3.241 1.00 0.00 C ATOM 284 CG PRO A 21 -5.113 -12.518 2.151 1.00 0.00 C ATOM 285 CD PRO A 21 -3.637 -12.296 1.972 1.00 0.00 C ATOM 0 HA PRO A 21 -4.210 -10.547 4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.418 -11.973 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.799 -10.611 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.323 -13.555 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.654 -12.308 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.126 -13.212 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.433 -11.555 1.199 1.00 0.00 H new ATOM 293 N LEU A 22 -5.411 -12.246 6.220 1.00 0.00 N ATOM 294 CA LEU A 22 -5.651 -13.123 7.360 1.00 0.00 C ATOM 295 C LEU A 22 -7.102 -13.593 7.390 1.00 0.00 C ATOM 296 O LEU A 22 -8.001 -12.844 7.772 1.00 0.00 O ATOM 297 CB LEU A 22 -5.311 -12.401 8.665 1.00 0.00 C ATOM 298 CG LEU A 22 -4.866 -13.289 9.828 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.595 -14.043 9.468 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.658 -12.457 11.085 1.00 0.00 C ATOM 0 H LEU A 22 -6.017 -11.427 6.183 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.007 -13.996 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.520 -11.679 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.186 -11.834 8.982 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.652 -14.018 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.293 -14.670 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.778 -14.669 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.801 -13.331 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.342 -13.105 11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.891 -11.705 10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.592 -11.964 11.354 1.00 0.00 H new ATOM 312 N VAL A 23 -7.323 -14.840 6.985 1.00 0.00 N ATOM 313 CA VAL A 23 -8.664 -15.412 6.969 1.00 0.00 C ATOM 314 C VAL A 23 -8.773 -16.586 7.936 1.00 0.00 C ATOM 315 O VAL A 23 -9.843 -16.858 8.479 1.00 0.00 O ATOM 316 CB VAL A 23 -9.054 -15.888 5.556 1.00 0.00 C ATOM 317 CG1 VAL A 23 -9.046 -14.722 4.579 1.00 0.00 C ATOM 318 CG2 VAL A 23 -8.118 -16.992 5.089 1.00 0.00 C ATOM 0 H VAL A 23 -6.591 -15.473 6.664 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.348 -14.623 7.281 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.065 -16.293 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.324 -15.077 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.760 -13.967 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.048 -14.285 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.408 -17.316 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.095 -16.616 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.179 -17.836 5.776 1.00 0.00 H new ATOM 328 N ASN A 24 -7.658 -17.277 8.148 1.00 0.00 N ATOM 329 CA ASN A 24 -7.628 -18.422 9.050 1.00 0.00 C ATOM 330 C ASN A 24 -7.130 -18.012 10.433 1.00 0.00 C ATOM 331 O ASN A 24 -7.543 -18.576 11.445 1.00 0.00 O ATOM 332 CB ASN A 24 -6.733 -19.524 8.480 1.00 0.00 C ATOM 333 CG ASN A 24 -7.455 -20.387 7.463 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.104 -20.400 6.283 1.00 0.00 O ATOM 335 ND2 ASN A 24 -8.469 -21.113 7.918 1.00 0.00 N ATOM 0 H ASN A 24 -6.763 -17.064 7.707 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.645 -18.803 9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.858 -19.072 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.371 -20.152 9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.993 -21.713 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.724 -21.070 8.905 1.00 0.00 H new ATOM 342 N GLY A 25 -6.241 -17.024 10.467 1.00 0.00 N ATOM 343 CA GLY A 25 -5.702 -16.554 11.730 1.00 0.00 C ATOM 344 C GLY A 25 -4.186 -16.541 11.745 1.00 0.00 C ATOM 345 O GLY A 25 -3.569 -16.489 12.808 1.00 0.00 O ATOM 0 H GLY A 25 -5.884 -16.541 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.073 -15.548 11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.065 -17.192 12.536 1.00 0.00 H new ATOM 349 N VAL A 26 -3.584 -16.591 10.561 1.00 0.00 N ATOM 350 CA VAL A 26 -2.131 -16.585 10.441 1.00 0.00 C ATOM 351 C VAL A 26 -1.694 -16.060 9.078 1.00 0.00 C ATOM 352 O VAL A 26 -2.073 -16.605 8.041 1.00 0.00 O ATOM 353 CB VAL A 26 -1.545 -17.995 10.648 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.184 -18.985 9.687 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.034 -17.973 10.478 1.00 0.00 C ATOM 0 H VAL A 26 -4.080 -16.636 9.671 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.752 -15.924 11.220 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.769 -18.317 11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.758 -19.975 9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.259 -19.020 9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.994 -18.670 8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.364 -18.977 10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.214 -17.630 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.405 -17.296 11.211 1.00 0.00 H new ATOM 365 N ARG A 27 -0.893 -14.999 9.088 1.00 0.00 N ATOM 366 CA ARG A 27 -0.405 -14.400 7.852 1.00 0.00 C ATOM 367 C ARG A 27 0.766 -15.198 7.286 1.00 0.00 C ATOM 368 O ARG A 27 1.926 -14.835 7.478 1.00 0.00 O ATOM 369 CB ARG A 27 0.023 -12.951 8.097 1.00 0.00 C ATOM 370 CG ARG A 27 -1.126 -11.958 8.034 1.00 0.00 C ATOM 371 CD ARG A 27 -0.645 -10.575 7.623 1.00 0.00 C ATOM 372 NE ARG A 27 -1.674 -9.557 7.820 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.425 -8.253 7.825 1.00 0.00 C ATOM 374 NH1 ARG A 27 -0.188 -7.810 7.646 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.415 -7.388 8.010 1.00 0.00 N ATOM 0 H ARG A 27 -0.569 -14.537 9.938 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.217 -14.415 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.499 -12.882 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.774 -12.673 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.874 -12.310 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.613 -11.901 9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.240 -10.312 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.347 -10.591 6.575 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.636 -9.865 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.575 -8.472 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.000 -6.808 7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.368 -7.725 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.223 -6.386 8.014 1.00 0.00 H new ATOM 389 N GLU A 28 0.453 -16.286 6.590 1.00 0.00 N ATOM 390 CA GLU A 28 1.479 -17.136 5.999 1.00 0.00 C ATOM 391 C GLU A 28 1.466 -17.026 4.477 1.00 0.00 C ATOM 392 O GLU A 28 0.405 -16.929 3.859 1.00 0.00 O ATOM 393 CB GLU A 28 1.271 -18.593 6.417 1.00 0.00 C ATOM 394 CG GLU A 28 2.520 -19.448 6.288 1.00 0.00 C ATOM 395 CD GLU A 28 3.380 -19.418 7.536 1.00 0.00 C ATOM 396 OE1 GLU A 28 3.033 -20.113 8.514 1.00 0.00 O ATOM 397 OE2 GLU A 28 4.401 -18.698 7.535 1.00 0.00 O ATOM 0 H GLU A 28 -0.503 -16.599 6.422 1.00 0.00 H new ATOM 0 HA GLU A 28 2.449 -16.797 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.928 -18.620 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.479 -19.028 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.231 -20.477 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.107 -19.100 5.438 1.00 0.00 H new ATOM 404 N PHE A 29 2.652 -17.040 3.878 1.00 0.00 N ATOM 405 CA PHE A 29 2.779 -16.941 2.429 1.00 0.00 C ATOM 406 C PHE A 29 2.192 -18.173 1.745 1.00 0.00 C ATOM 407 O PHE A 29 1.674 -19.074 2.405 1.00 0.00 O ATOM 408 CB PHE A 29 4.247 -16.775 2.033 1.00 0.00 C ATOM 409 CG PHE A 29 4.840 -15.463 2.463 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.185 -14.272 2.196 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.051 -15.422 3.134 1.00 0.00 C ATOM 412 CE1 PHE A 29 4.727 -13.063 2.591 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.598 -14.216 3.532 1.00 0.00 C ATOM 414 CZ PHE A 29 5.936 -13.035 3.258 1.00 0.00 C ATOM 0 H PHE A 29 3.540 -17.119 4.374 1.00 0.00 H new ATOM 0 HA PHE A 29 2.221 -16.064 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.827 -17.587 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.336 -16.867 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.240 -14.288 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.574 -16.342 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.206 -12.141 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.542 -14.197 4.057 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.363 -12.092 3.565 1.00 0.00 H new ATOM 424 N SER A 30 2.278 -18.204 0.419 1.00 0.00 N ATOM 425 CA SER A 30 1.752 -19.322 -0.355 1.00 0.00 C ATOM 426 C SER A 30 2.738 -19.742 -1.441 1.00 0.00 C ATOM 427 O SER A 30 3.614 -18.970 -1.830 1.00 0.00 O ATOM 428 CB SER A 30 0.410 -18.947 -0.985 1.00 0.00 C ATOM 429 OG SER A 30 -0.662 -19.204 -0.095 1.00 0.00 O ATOM 0 H SER A 30 2.707 -17.468 -0.142 1.00 0.00 H new ATOM 0 HA SER A 30 1.604 -20.163 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.415 -17.892 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.266 -19.513 -1.905 1.00 0.00 H new ATOM 0 HG SER A 30 -1.508 -18.954 -0.521 1.00 0.00 H new ATOM 435 N GLU A 31 2.586 -20.970 -1.926 1.00 0.00 N ATOM 436 CA GLU A 31 3.464 -21.493 -2.966 1.00 0.00 C ATOM 437 C GLU A 31 3.793 -20.414 -3.994 1.00 0.00 C ATOM 438 O GLU A 31 4.926 -20.316 -4.464 1.00 0.00 O ATOM 439 CB GLU A 31 2.811 -22.691 -3.660 1.00 0.00 C ATOM 440 CG GLU A 31 1.490 -22.359 -4.333 1.00 0.00 C ATOM 441 CD GLU A 31 0.607 -23.578 -4.518 1.00 0.00 C ATOM 442 OE1 GLU A 31 -0.150 -23.911 -3.583 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.674 -24.199 -5.600 1.00 0.00 O ATOM 0 H GLU A 31 1.864 -21.621 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 31 4.392 -21.816 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.500 -23.088 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.647 -23.480 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.959 -21.617 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.685 -21.906 -5.305 1.00 0.00 H new ATOM 450 N ILE A 32 2.794 -19.608 -4.337 1.00 0.00 N ATOM 451 CA ILE A 32 2.977 -18.536 -5.307 1.00 0.00 C ATOM 452 C ILE A 32 3.980 -17.504 -4.803 1.00 0.00 C ATOM 453 O ILE A 32 4.974 -17.214 -5.469 1.00 0.00 O ATOM 454 CB ILE A 32 1.645 -17.830 -5.624 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.642 -18.824 -6.211 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.875 -16.671 -6.583 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.791 -18.345 -6.151 1.00 0.00 C ATOM 0 H ILE A 32 1.850 -19.677 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 32 3.360 -18.996 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 32 1.232 -17.432 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.906 -19.024 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.723 -19.769 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.925 -16.182 -6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.558 -15.953 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.307 -17.046 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.446 -19.101 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.074 -18.173 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.888 -17.416 -6.712 1.00 0.00 H new ATOM 469 N GLN A 33 3.712 -16.953 -3.624 1.00 0.00 N ATOM 470 CA GLN A 33 4.592 -15.953 -3.030 1.00 0.00 C ATOM 471 C GLN A 33 6.004 -16.504 -2.859 1.00 0.00 C ATOM 472 O GLN A 33 6.978 -15.895 -3.304 1.00 0.00 O ATOM 473 CB GLN A 33 4.042 -15.498 -1.678 1.00 0.00 C ATOM 474 CG GLN A 33 2.723 -14.750 -1.778 1.00 0.00 C ATOM 475 CD GLN A 33 1.923 -14.803 -0.492 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.595 -15.881 0.005 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.603 -13.636 0.056 1.00 0.00 N ATOM 0 H GLN A 33 2.893 -17.182 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 33 4.635 -15.097 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.908 -16.370 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.778 -14.857 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.919 -13.709 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.130 -15.174 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.895 -12.766 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.065 -13.610 0.922 1.00 0.00 H new ATOM 486 N LEU A 34 6.109 -17.659 -2.211 1.00 0.00 N ATOM 487 CA LEU A 34 7.402 -18.293 -1.981 1.00 0.00 C ATOM 488 C LEU A 34 8.185 -18.423 -3.283 1.00 0.00 C ATOM 489 O LEU A 34 9.214 -17.774 -3.468 1.00 0.00 O ATOM 490 CB LEU A 34 7.211 -19.672 -1.348 1.00 0.00 C ATOM 491 CG LEU A 34 6.302 -19.727 -0.119 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.606 -21.076 -0.030 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.100 -19.451 1.147 1.00 0.00 C ATOM 0 H LEU A 34 5.314 -18.176 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 34 7.971 -17.662 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.806 -20.344 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.190 -20.060 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 34 5.540 -18.954 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.964 -21.097 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.002 -21.233 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.353 -21.866 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.437 -19.494 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.884 -20.200 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.551 -18.460 1.084 1.00 0.00 H new ATOM 505 N SER A 35 7.688 -19.264 -4.185 1.00 0.00 N ATOM 506 CA SER A 35 8.342 -19.480 -5.470 1.00 0.00 C ATOM 507 C SER A 35 8.943 -18.182 -5.999 1.00 0.00 C ATOM 508 O SER A 35 9.943 -18.195 -6.717 1.00 0.00 O ATOM 509 CB SER A 35 7.345 -20.045 -6.484 1.00 0.00 C ATOM 510 OG SER A 35 8.012 -20.757 -7.512 1.00 0.00 O ATOM 0 H SER A 35 6.835 -19.806 -4.049 1.00 0.00 H new ATOM 0 HA SER A 35 9.148 -20.199 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.641 -20.705 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.763 -19.232 -6.919 1.00 0.00 H new ATOM 0 HG SER A 35 7.353 -21.109 -8.146 1.00 0.00 H new ATOM 516 N ARG A 36 8.325 -17.061 -5.639 1.00 0.00 N ATOM 517 CA ARG A 36 8.798 -15.754 -6.078 1.00 0.00 C ATOM 518 C ARG A 36 9.883 -15.226 -5.144 1.00 0.00 C ATOM 519 O ARG A 36 10.926 -14.749 -5.594 1.00 0.00 O ATOM 520 CB ARG A 36 7.635 -14.762 -6.137 1.00 0.00 C ATOM 521 CG ARG A 36 6.614 -15.084 -7.216 1.00 0.00 C ATOM 522 CD ARG A 36 5.654 -13.925 -7.439 1.00 0.00 C ATOM 523 NE ARG A 36 4.978 -14.016 -8.730 1.00 0.00 N ATOM 524 CZ ARG A 36 3.913 -13.290 -9.055 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.407 -12.425 -8.187 1.00 0.00 N ATOM 526 NH2 ARG A 36 3.353 -13.430 -10.249 1.00 0.00 N ATOM 0 H ARG A 36 7.496 -17.032 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 36 9.224 -15.866 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.135 -14.744 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.031 -13.761 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.129 -15.316 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.052 -15.974 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.912 -13.910 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.202 -12.984 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 36 5.343 -14.672 -9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.835 -12.316 -7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.590 -11.869 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.739 -14.095 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.536 -12.873 -10.498 1.00 0.00 H new ATOM 540 N LEU A 37 9.631 -15.314 -3.843 1.00 0.00 N ATOM 541 CA LEU A 37 10.586 -14.845 -2.845 1.00 0.00 C ATOM 542 C LEU A 37 11.928 -15.553 -3.001 1.00 0.00 C ATOM 543 O LEU A 37 12.984 -14.961 -2.781 1.00 0.00 O ATOM 544 CB LEU A 37 10.036 -15.075 -1.436 1.00 0.00 C ATOM 545 CG LEU A 37 8.937 -14.115 -0.979 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.058 -14.771 0.073 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.545 -12.827 -0.442 1.00 0.00 C ATOM 0 H LEU A 37 8.773 -15.706 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 37 10.739 -13.777 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.648 -16.092 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.864 -15.011 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 37 8.315 -13.869 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.282 -14.072 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.595 -15.664 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.666 -15.047 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.749 -12.155 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.191 -13.055 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.131 -12.347 -1.226 1.00 0.00 H new ATOM 559 N LYS A 38 11.879 -16.825 -3.384 1.00 0.00 N ATOM 560 CA LYS A 38 13.090 -17.614 -3.573 1.00 0.00 C ATOM 561 C LYS A 38 13.977 -16.999 -4.651 1.00 0.00 C ATOM 562 O LYS A 38 15.175 -16.799 -4.445 1.00 0.00 O ATOM 563 CB LYS A 38 12.732 -19.053 -3.953 1.00 0.00 C ATOM 564 CG LYS A 38 12.524 -19.964 -2.755 1.00 0.00 C ATOM 565 CD LYS A 38 12.271 -21.399 -3.184 1.00 0.00 C ATOM 566 CE LYS A 38 11.768 -22.247 -2.025 1.00 0.00 C ATOM 567 NZ LYS A 38 10.299 -22.101 -1.829 1.00 0.00 N ATOM 0 H LYS A 38 11.013 -17.331 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 38 13.641 -17.619 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.824 -19.046 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.526 -19.463 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.402 -19.925 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.680 -19.605 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.540 -21.415 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.191 -21.830 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.008 -23.294 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.287 -21.958 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.995 -22.694 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.073 -21.106 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.802 -22.401 -2.692 1.00 0.00 H new ATOM 581 N LYS A 39 13.383 -16.700 -5.801 1.00 0.00 N ATOM 582 CA LYS A 39 14.117 -16.105 -6.911 1.00 0.00 C ATOM 583 C LYS A 39 14.985 -14.946 -6.430 1.00 0.00 C ATOM 584 O LYS A 39 16.183 -14.896 -6.711 1.00 0.00 O ATOM 585 CB LYS A 39 13.147 -15.617 -7.989 1.00 0.00 C ATOM 586 CG LYS A 39 12.555 -16.737 -8.826 1.00 0.00 C ATOM 587 CD LYS A 39 11.162 -16.386 -9.322 1.00 0.00 C ATOM 588 CE LYS A 39 10.759 -17.247 -10.509 1.00 0.00 C ATOM 589 NZ LYS A 39 11.492 -16.862 -11.747 1.00 0.00 N ATOM 0 H LYS A 39 12.393 -16.860 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 39 14.766 -16.870 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.337 -15.063 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.668 -14.920 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.205 -16.939 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.512 -17.651 -8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.443 -16.519 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.130 -15.334 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.956 -18.295 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.686 -17.154 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.032 -17.296 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.481 -15.827 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.476 -17.193 -11.685 1.00 0.00 H new ATOM 603 N LEU A 40 14.373 -14.017 -5.704 1.00 0.00 N ATOM 604 CA LEU A 40 15.090 -12.859 -5.183 1.00 0.00 C ATOM 605 C LEU A 40 16.239 -13.292 -4.278 1.00 0.00 C ATOM 606 O LEU A 40 17.281 -12.640 -4.226 1.00 0.00 O ATOM 607 CB LEU A 40 14.134 -11.947 -4.411 1.00 0.00 C ATOM 608 CG LEU A 40 12.875 -11.508 -5.159 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.928 -10.772 -4.224 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.240 -10.632 -6.349 1.00 0.00 C ATOM 0 H LEU A 40 13.382 -14.043 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 40 15.504 -12.309 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.830 -12.461 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.681 -11.055 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 40 12.367 -12.398 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.038 -10.467 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.641 -11.431 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.426 -9.890 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.332 -10.329 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.771 -9.746 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.879 -11.193 -7.031 1.00 0.00 H new ATOM 622 N GLY A 41 16.042 -14.398 -3.568 1.00 0.00 N ATOM 623 CA GLY A 41 17.071 -14.901 -2.676 1.00 0.00 C ATOM 624 C GLY A 41 16.722 -14.698 -1.215 1.00 0.00 C ATOM 625 O GLY A 41 17.607 -14.655 -0.359 1.00 0.00 O ATOM 0 H GLY A 41 15.188 -14.955 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.224 -15.963 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.014 -14.399 -2.894 1.00 0.00 H new ATOM 629 N ILE A 42 15.431 -14.571 -0.929 1.00 0.00 N ATOM 630 CA ILE A 42 14.968 -14.371 0.438 1.00 0.00 C ATOM 631 C ILE A 42 14.508 -15.685 1.061 1.00 0.00 C ATOM 632 O ILE A 42 13.400 -16.154 0.799 1.00 0.00 O ATOM 633 CB ILE A 42 13.812 -13.355 0.499 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.293 -11.976 0.044 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.241 -13.285 1.907 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.173 -11.066 -0.411 1.00 0.00 C ATOM 0 H ILE A 42 14.687 -14.603 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 42 15.814 -13.980 1.003 1.00 0.00 H new ATOM 0 HB ILE A 42 13.022 -13.685 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.828 -11.498 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.005 -12.099 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.425 -12.563 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.866 -14.267 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.022 -12.975 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.587 -10.106 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.652 -11.523 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.473 -10.912 0.410 1.00 0.00 H new ATOM 648 N HIS A 43 15.366 -16.275 1.887 1.00 0.00 N ATOM 649 CA HIS A 43 15.047 -17.534 2.550 1.00 0.00 C ATOM 650 C HIS A 43 14.165 -17.297 3.772 1.00 0.00 C ATOM 651 O HIS A 43 14.456 -17.784 4.865 1.00 0.00 O ATOM 652 CB HIS A 43 16.330 -18.256 2.964 1.00 0.00 C ATOM 653 CG HIS A 43 16.963 -19.037 1.854 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.239 -19.797 0.960 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.261 -19.170 1.494 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.064 -20.365 0.099 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.297 -20.001 0.401 1.00 0.00 N ATOM 0 H HIS A 43 16.288 -15.901 2.113 1.00 0.00 H new ATOM 0 HA HIS A 43 14.499 -18.159 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.046 -17.523 3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.107 -18.931 3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.110 -18.709 1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.779 -21.016 -0.714 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.139 -20.290 -0.097 1.00 0.00 H new ATOM 666 N LYS A 44 13.087 -16.545 3.581 1.00 0.00 N ATOM 667 CA LYS A 44 12.162 -16.242 4.667 1.00 0.00 C ATOM 668 C LYS A 44 10.758 -16.743 4.341 1.00 0.00 C ATOM 669 O LYS A 44 10.235 -16.493 3.254 1.00 0.00 O ATOM 670 CB LYS A 44 12.129 -14.735 4.931 1.00 0.00 C ATOM 671 CG LYS A 44 13.237 -14.255 5.854 1.00 0.00 C ATOM 672 CD LYS A 44 13.497 -12.768 5.685 1.00 0.00 C ATOM 673 CE LYS A 44 14.818 -12.358 6.318 1.00 0.00 C ATOM 674 NZ LYS A 44 15.977 -13.034 5.671 1.00 0.00 N ATOM 0 H LYS A 44 12.832 -16.134 2.683 1.00 0.00 H new ATOM 0 HA LYS A 44 12.513 -16.754 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.204 -14.206 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.165 -14.472 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.965 -14.463 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.151 -14.811 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.507 -12.518 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.684 -12.201 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.938 -11.277 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.803 -12.601 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.691 -12.324 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.395 -13.717 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.655 -13.533 4.817 1.00 0.00 H new ATOM 688 N THR A 45 10.152 -17.450 5.289 1.00 0.00 N ATOM 689 CA THR A 45 8.809 -17.985 5.103 1.00 0.00 C ATOM 690 C THR A 45 7.811 -17.300 6.030 1.00 0.00 C ATOM 691 O THR A 45 6.858 -17.922 6.500 1.00 0.00 O ATOM 692 CB THR A 45 8.769 -19.504 5.356 1.00 0.00 C ATOM 693 OG1 THR A 45 9.381 -19.807 6.615 1.00 0.00 O ATOM 694 CG2 THR A 45 9.484 -20.256 4.244 1.00 0.00 C ATOM 0 H THR A 45 10.570 -17.666 6.194 1.00 0.00 H new ATOM 0 HA THR A 45 8.532 -17.790 4.067 1.00 0.00 H new ATOM 0 HB THR A 45 7.726 -19.820 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.350 -20.774 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.443 -21.327 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.998 -20.046 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.525 -19.935 4.198 1.00 0.00 H new ATOM 702 N ASP A 46 8.035 -16.017 6.288 1.00 0.00 N ATOM 703 CA ASP A 46 7.154 -15.247 7.158 1.00 0.00 C ATOM 704 C ASP A 46 7.167 -13.770 6.776 1.00 0.00 C ATOM 705 O ASP A 46 8.210 -13.192 6.470 1.00 0.00 O ATOM 706 CB ASP A 46 7.573 -15.412 8.620 1.00 0.00 C ATOM 707 CG ASP A 46 6.882 -16.581 9.292 1.00 0.00 C ATOM 708 OD1 ASP A 46 5.714 -16.422 9.704 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.509 -17.656 9.407 1.00 0.00 O ATOM 0 H ASP A 46 8.819 -15.488 5.907 1.00 0.00 H new ATOM 0 HA ASP A 46 6.140 -15.627 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.653 -15.553 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.345 -14.496 9.166 1.00 0.00 H new ATOM 714 N PRO A 47 5.981 -13.143 6.792 1.00 0.00 N ATOM 715 CA PRO A 47 5.830 -11.726 6.449 1.00 0.00 C ATOM 716 C PRO A 47 6.441 -10.807 7.502 1.00 0.00 C ATOM 717 O PRO A 47 6.399 -9.584 7.370 1.00 0.00 O ATOM 718 CB PRO A 47 4.313 -11.536 6.389 1.00 0.00 C ATOM 719 CG PRO A 47 3.762 -12.599 7.275 1.00 0.00 C ATOM 720 CD PRO A 47 4.697 -13.770 7.147 1.00 0.00 C ATOM 0 HA PRO A 47 6.342 -11.474 5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.024 -10.543 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.941 -11.639 5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.706 -12.256 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.751 -12.872 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.768 -14.332 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.364 -14.468 6.379 1.00 0.00 H new ATOM 728 N SER A 48 7.008 -11.404 8.545 1.00 0.00 N ATOM 729 CA SER A 48 7.624 -10.638 9.622 1.00 0.00 C ATOM 730 C SER A 48 9.146 -10.672 9.511 1.00 0.00 C ATOM 731 O SER A 48 9.818 -9.659 9.706 1.00 0.00 O ATOM 732 CB SER A 48 7.188 -11.187 10.982 1.00 0.00 C ATOM 733 OG SER A 48 5.872 -10.770 11.302 1.00 0.00 O ATOM 0 H SER A 48 7.054 -12.416 8.667 1.00 0.00 H new ATOM 0 HA SER A 48 7.293 -9.603 9.534 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.235 -12.276 10.970 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.879 -10.846 11.754 1.00 0.00 H new ATOM 0 HG SER A 48 5.616 -11.135 12.175 1.00 0.00 H new ATOM 739 N THR A 49 9.683 -11.847 9.197 1.00 0.00 N ATOM 740 CA THR A 49 11.125 -12.016 9.061 1.00 0.00 C ATOM 741 C THR A 49 11.683 -11.114 7.966 1.00 0.00 C ATOM 742 O THR A 49 12.868 -10.776 7.970 1.00 0.00 O ATOM 743 CB THR A 49 11.491 -13.478 8.742 1.00 0.00 C ATOM 744 OG1 THR A 49 10.851 -13.890 7.530 1.00 0.00 O ATOM 745 CG2 THR A 49 11.077 -14.399 9.879 1.00 0.00 C ATOM 0 H THR A 49 9.141 -12.695 9.032 1.00 0.00 H new ATOM 0 HA THR A 49 11.568 -11.738 10.018 1.00 0.00 H new ATOM 0 HB THR A 49 12.572 -13.541 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.952 -13.502 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.345 -15.426 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.589 -14.101 10.794 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.999 -14.331 10.028 1.00 0.00 H new ATOM 753 N LEU A 50 10.824 -10.726 7.030 1.00 0.00 N ATOM 754 CA LEU A 50 11.232 -9.861 5.928 1.00 0.00 C ATOM 755 C LEU A 50 11.417 -8.424 6.404 1.00 0.00 C ATOM 756 O LEU A 50 10.575 -7.882 7.120 1.00 0.00 O ATOM 757 CB LEU A 50 10.194 -9.909 4.805 1.00 0.00 C ATOM 758 CG LEU A 50 10.414 -10.978 3.734 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.898 -12.327 4.212 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.735 -10.576 2.433 1.00 0.00 C ATOM 0 H LEU A 50 9.841 -10.996 7.012 1.00 0.00 H new ATOM 0 HA LEU A 50 12.187 -10.224 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.212 -10.067 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.170 -8.934 4.318 1.00 0.00 H new ATOM 0 HG LEU A 50 11.485 -11.066 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.063 -13.075 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.429 -12.620 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.831 -12.254 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.902 -11.348 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.665 -10.459 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.152 -9.632 2.082 1.00 0.00 H new ATOM 772 N THR A 51 12.524 -7.810 5.999 1.00 0.00 N ATOM 773 CA THR A 51 12.820 -6.435 6.382 1.00 0.00 C ATOM 774 C THR A 51 12.299 -5.450 5.342 1.00 0.00 C ATOM 775 O THR A 51 12.131 -5.799 4.174 1.00 0.00 O ATOM 776 CB THR A 51 14.333 -6.216 6.567 1.00 0.00 C ATOM 777 OG1 THR A 51 14.578 -4.910 7.101 1.00 0.00 O ATOM 778 CG2 THR A 51 15.069 -6.376 5.245 1.00 0.00 C ATOM 0 H THR A 51 13.231 -8.244 5.405 1.00 0.00 H new ATOM 0 HA THR A 51 12.316 -6.257 7.332 1.00 0.00 H new ATOM 0 HB THR A 51 14.704 -6.968 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.542 -4.780 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.136 -6.217 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.905 -7.381 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.694 -5.645 4.529 1.00 0.00 H new ATOM 786 N GLU A 52 12.046 -4.219 5.774 1.00 0.00 N ATOM 787 CA GLU A 52 11.544 -3.184 4.879 1.00 0.00 C ATOM 788 C GLU A 52 12.124 -3.348 3.477 1.00 0.00 C ATOM 789 O GLU A 52 11.390 -3.382 2.491 1.00 0.00 O ATOM 790 CB GLU A 52 11.886 -1.796 5.425 1.00 0.00 C ATOM 791 CG GLU A 52 10.954 -1.330 6.530 1.00 0.00 C ATOM 792 CD GLU A 52 11.168 0.125 6.900 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.031 0.399 7.760 1.00 0.00 O ATOM 794 OE2 GLU A 52 10.473 0.991 6.327 1.00 0.00 O ATOM 0 H GLU A 52 12.180 -3.914 6.738 1.00 0.00 H new ATOM 0 HA GLU A 52 10.460 -3.286 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.908 -1.805 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.855 -1.076 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.921 -1.472 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.104 -1.951 7.413 1.00 0.00 H new ATOM 801 N GLU A 53 13.447 -3.450 3.399 1.00 0.00 N ATOM 802 CA GLU A 53 14.127 -3.609 2.119 1.00 0.00 C ATOM 803 C GLU A 53 13.484 -4.724 1.298 1.00 0.00 C ATOM 804 O GLU A 53 13.198 -4.550 0.114 1.00 0.00 O ATOM 805 CB GLU A 53 15.610 -3.912 2.338 1.00 0.00 C ATOM 806 CG GLU A 53 16.379 -4.152 1.049 1.00 0.00 C ATOM 807 CD GLU A 53 17.799 -4.625 1.296 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.991 -5.839 1.514 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.717 -3.779 1.271 1.00 0.00 O ATOM 0 H GLU A 53 14.069 -3.425 4.207 1.00 0.00 H new ATOM 0 HA GLU A 53 14.033 -2.674 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.067 -3.080 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.702 -4.791 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.852 -4.894 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.403 -3.230 0.468 1.00 0.00 H new ATOM 816 N GLU A 54 13.262 -5.868 1.936 1.00 0.00 N ATOM 817 CA GLU A 54 12.655 -7.012 1.264 1.00 0.00 C ATOM 818 C GLU A 54 11.168 -6.772 1.018 1.00 0.00 C ATOM 819 O GLU A 54 10.628 -7.163 -0.016 1.00 0.00 O ATOM 820 CB GLU A 54 12.848 -8.281 2.096 1.00 0.00 C ATOM 821 CG GLU A 54 14.292 -8.746 2.172 1.00 0.00 C ATOM 822 CD GLU A 54 15.077 -8.420 0.917 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.341 -7.223 0.675 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.427 -9.361 0.175 1.00 0.00 O ATOM 0 H GLU A 54 13.493 -6.028 2.917 1.00 0.00 H new ATOM 0 HA GLU A 54 13.149 -7.140 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.479 -8.102 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.240 -9.080 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.775 -8.279 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.315 -9.823 2.341 1.00 0.00 H new ATOM 831 N VAL A 55 10.512 -6.127 1.978 1.00 0.00 N ATOM 832 CA VAL A 55 9.088 -5.834 1.866 1.00 0.00 C ATOM 833 C VAL A 55 8.788 -5.043 0.598 1.00 0.00 C ATOM 834 O VAL A 55 7.910 -5.412 -0.182 1.00 0.00 O ATOM 835 CB VAL A 55 8.582 -5.041 3.085 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.126 -4.641 2.895 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.758 -5.852 4.360 1.00 0.00 C ATOM 0 H VAL A 55 10.944 -5.798 2.841 1.00 0.00 H new ATOM 0 HA VAL A 55 8.569 -6.792 1.824 1.00 0.00 H new ATOM 0 HB VAL A 55 9.176 -4.131 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.786 -4.081 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.033 -4.019 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.515 -5.536 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.395 -5.276 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.191 -6.780 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.814 -6.082 4.502 1.00 0.00 H new ATOM 847 N ARG A 56 9.522 -3.953 0.399 1.00 0.00 N ATOM 848 CA ARG A 56 9.334 -3.109 -0.775 1.00 0.00 C ATOM 849 C ARG A 56 9.469 -3.924 -2.058 1.00 0.00 C ATOM 850 O ARG A 56 8.650 -3.808 -2.970 1.00 0.00 O ATOM 851 CB ARG A 56 10.349 -1.965 -0.775 1.00 0.00 C ATOM 852 CG ARG A 56 10.191 -1.011 0.398 1.00 0.00 C ATOM 853 CD ARG A 56 11.359 -0.041 0.488 1.00 0.00 C ATOM 854 NE ARG A 56 11.451 0.584 1.805 1.00 0.00 N ATOM 855 CZ ARG A 56 12.482 1.324 2.196 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.504 1.531 1.376 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.493 1.860 3.410 1.00 0.00 N ATOM 0 H ARG A 56 10.252 -3.634 1.035 1.00 0.00 H new ATOM 0 HA ARG A 56 8.328 -2.692 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.355 -2.383 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.252 -1.404 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.261 -0.453 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.117 -1.581 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.287 -0.570 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.248 0.732 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 56 10.682 0.444 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.500 1.121 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.294 2.100 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.709 1.704 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.285 2.428 3.709 1.00 0.00 H new ATOM 871 N LYS A 57 10.510 -4.747 -2.123 1.00 0.00 N ATOM 872 CA LYS A 57 10.754 -5.582 -3.293 1.00 0.00 C ATOM 873 C LYS A 57 9.639 -6.607 -3.472 1.00 0.00 C ATOM 874 O LYS A 57 8.934 -6.603 -4.482 1.00 0.00 O ATOM 875 CB LYS A 57 12.101 -6.297 -3.163 1.00 0.00 C ATOM 876 CG LYS A 57 13.284 -5.447 -3.595 1.00 0.00 C ATOM 877 CD LYS A 57 14.559 -6.269 -3.681 1.00 0.00 C ATOM 878 CE LYS A 57 15.162 -6.508 -2.305 1.00 0.00 C ATOM 879 NZ LYS A 57 16.588 -6.929 -2.390 1.00 0.00 N ATOM 0 H LYS A 57 11.199 -4.854 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 57 10.775 -4.936 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.243 -6.602 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.080 -7.207 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.074 -4.996 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.424 -4.630 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.345 -7.226 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.283 -5.754 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.087 -5.596 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.587 -7.274 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.963 -7.082 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.657 -7.813 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.141 -6.187 -2.864 1.00 0.00 H new ATOM 893 N PHE A 58 9.483 -7.484 -2.485 1.00 0.00 N ATOM 894 CA PHE A 58 8.452 -8.514 -2.534 1.00 0.00 C ATOM 895 C PHE A 58 7.104 -7.918 -2.929 1.00 0.00 C ATOM 896 O PHE A 58 6.443 -8.403 -3.847 1.00 0.00 O ATOM 897 CB PHE A 58 8.336 -9.214 -1.179 1.00 0.00 C ATOM 898 CG PHE A 58 7.242 -10.242 -1.127 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.188 -11.263 -2.063 1.00 0.00 C ATOM 900 CD2 PHE A 58 6.269 -10.189 -0.142 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.183 -12.211 -2.018 1.00 0.00 C ATOM 902 CE2 PHE A 58 5.262 -11.135 -0.092 1.00 0.00 C ATOM 903 CZ PHE A 58 5.219 -12.146 -1.031 1.00 0.00 C ATOM 0 H PHE A 58 10.057 -7.502 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 58 8.740 -9.245 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.286 -9.694 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.158 -8.466 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.940 -11.318 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.298 -9.400 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.152 -13.001 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.510 -11.083 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.433 -12.885 -0.994 1.00 0.00 H new ATOM 913 N ALA A 59 6.703 -6.862 -2.228 1.00 0.00 N ATOM 914 CA ALA A 59 5.436 -6.198 -2.505 1.00 0.00 C ATOM 915 C ALA A 59 5.422 -5.605 -3.910 1.00 0.00 C ATOM 916 O ALA A 59 4.451 -5.762 -4.650 1.00 0.00 O ATOM 917 CB ALA A 59 5.171 -5.114 -1.471 1.00 0.00 C ATOM 0 H ALA A 59 7.238 -6.448 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 59 4.643 -6.944 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.221 -4.626 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.128 -5.561 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.973 -4.377 -1.503 1.00 0.00 H new ATOM 923 N ARG A 60 6.505 -4.925 -4.271 1.00 0.00 N ATOM 924 CA ARG A 60 6.616 -4.307 -5.587 1.00 0.00 C ATOM 925 C ARG A 60 6.137 -5.262 -6.677 1.00 0.00 C ATOM 926 O ARG A 60 5.473 -4.850 -7.630 1.00 0.00 O ATOM 927 CB ARG A 60 8.063 -3.891 -5.858 1.00 0.00 C ATOM 928 CG ARG A 60 8.423 -2.531 -5.283 1.00 0.00 C ATOM 929 CD ARG A 60 8.161 -1.416 -6.284 1.00 0.00 C ATOM 930 NE ARG A 60 8.016 -0.118 -5.631 1.00 0.00 N ATOM 931 CZ ARG A 60 9.040 0.595 -5.177 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.279 0.139 -5.304 1.00 0.00 N ATOM 933 NH2 ARG A 60 8.827 1.768 -4.594 1.00 0.00 N ATOM 0 H ARG A 60 7.318 -4.788 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 60 5.982 -3.420 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.733 -4.642 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.233 -3.877 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.843 -2.352 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.474 -2.523 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.981 -1.372 -7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.256 -1.641 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 60 7.076 0.262 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.447 -0.762 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.063 0.689 -4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.876 2.123 -4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.614 2.315 -4.246 1.00 0.00 H new ATOM 947 N LEU A 61 6.479 -6.537 -6.532 1.00 0.00 N ATOM 948 CA LEU A 61 6.085 -7.551 -7.504 1.00 0.00 C ATOM 949 C LEU A 61 4.631 -7.364 -7.926 1.00 0.00 C ATOM 950 O LEU A 61 4.327 -7.273 -9.115 1.00 0.00 O ATOM 951 CB LEU A 61 6.282 -8.950 -6.920 1.00 0.00 C ATOM 952 CG LEU A 61 7.714 -9.319 -6.529 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.742 -10.653 -5.799 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.607 -9.365 -7.761 1.00 0.00 C ATOM 0 H LEU A 61 7.029 -6.894 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 61 6.718 -7.440 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.650 -9.046 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.926 -9.679 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 61 8.095 -8.552 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.769 -10.899 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.135 -10.586 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.342 -11.432 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.622 -9.629 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.227 -10.111 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.612 -8.387 -8.243 1.00 0.00 H new