USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot 157:sc= -5.8! USER MOD Set 1.2: A 51 THR OG1 : rot 89:sc= 0.988 USER MOD Single : A 10 THR OG1 : rot -38:sc= 0.819 USER MOD Single : A 16 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -139:sc= 0.00255 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -156:sc= -6.76! USER MOD Single : A 50 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.055) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.4!) USER MOD Single : A 78 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 80 MET CE :methyl -129:sc= -0.211 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.135 -14.810 -4.898 1.00 0.00 N ATOM 104 CA THR A 10 0.352 -13.377 -4.805 1.00 0.00 C ATOM 105 C THR A 10 0.126 -12.713 -6.164 1.00 0.00 C ATOM 106 O THR A 10 0.347 -13.331 -7.205 1.00 0.00 O ATOM 107 CB THR A 10 1.756 -13.146 -4.241 1.00 0.00 C ATOM 108 OG1 THR A 10 2.545 -14.166 -4.849 1.00 0.00 O ATOM 109 CG2 THR A 10 1.843 -13.449 -2.744 1.00 0.00 C ATOM 0 HA THR A 10 -0.366 -12.912 -4.129 1.00 0.00 H new ATOM 0 HB THR A 10 2.054 -12.113 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.024 -14.994 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.860 -13.269 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.153 -12.803 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.578 -14.492 -2.568 1.00 0.00 H new ATOM 117 N VAL A 11 -0.310 -11.463 -6.112 1.00 0.00 N ATOM 118 CA VAL A 11 -0.568 -10.709 -7.327 1.00 0.00 C ATOM 119 C VAL A 11 0.486 -9.609 -7.473 1.00 0.00 C ATOM 120 O VAL A 11 1.198 -9.296 -6.520 1.00 0.00 O ATOM 121 CB VAL A 11 -1.999 -10.167 -7.313 1.00 0.00 C ATOM 122 CG1 VAL A 11 -3.017 -11.307 -7.383 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.241 -9.290 -6.083 1.00 0.00 C ATOM 0 H VAL A 11 -0.491 -10.953 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.488 -11.355 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.131 -9.545 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.026 -10.895 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.867 -11.873 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.885 -11.966 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.265 -8.918 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.082 -9.878 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.549 -8.448 -6.095 1.00 0.00 H new ATOM 133 N ARG A 12 0.552 -9.053 -8.673 1.00 0.00 N ATOM 134 CA ARG A 12 1.507 -7.995 -8.956 1.00 0.00 C ATOM 135 C ARG A 12 0.879 -6.627 -8.685 1.00 0.00 C ATOM 136 O ARG A 12 -0.018 -6.198 -9.409 1.00 0.00 O ATOM 137 CB ARG A 12 1.979 -8.054 -10.411 1.00 0.00 C ATOM 138 CG ARG A 12 3.320 -8.782 -10.524 1.00 0.00 C ATOM 139 CD ARG A 12 3.956 -8.550 -11.896 1.00 0.00 C ATOM 140 NE ARG A 12 5.159 -9.398 -12.046 1.00 0.00 N ATOM 141 CZ ARG A 12 5.131 -10.680 -12.436 1.00 0.00 C ATOM 142 NH1 ARG A 12 3.961 -11.269 -12.718 1.00 0.00 N ATOM 143 NH2 ARG A 12 6.273 -11.372 -12.544 1.00 0.00 N ATOM 0 H ARG A 12 -0.040 -9.315 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 12 2.366 -8.140 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.232 -8.564 -11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.076 -7.043 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.995 -8.432 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.173 -9.850 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.238 -8.781 -12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.225 -7.500 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 12 6.067 -8.981 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.092 -10.742 -12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.940 -12.245 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.163 -10.923 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.252 -12.348 -12.841 1.00 0.00 H new ATOM 157 N VAL A 13 1.376 -5.979 -7.642 1.00 0.00 N ATOM 158 CA VAL A 13 0.875 -4.668 -7.266 1.00 0.00 C ATOM 159 C VAL A 13 1.946 -3.615 -7.556 1.00 0.00 C ATOM 160 O VAL A 13 3.139 -3.884 -7.418 1.00 0.00 O ATOM 161 CB VAL A 13 0.427 -4.679 -5.804 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.208 -3.255 -5.287 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.833 -5.527 -5.622 1.00 0.00 C ATOM 0 H VAL A 13 2.121 -6.338 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.003 -4.410 -7.859 1.00 0.00 H new ATOM 0 HB VAL A 13 1.224 -5.132 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.110 -3.291 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.139 -2.693 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.561 -2.765 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.130 -5.517 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.639 -5.117 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.630 -6.552 -5.932 1.00 0.00 H new ATOM 173 N VAL A 14 1.483 -2.439 -7.952 1.00 0.00 N ATOM 174 CA VAL A 14 2.387 -1.344 -8.262 1.00 0.00 C ATOM 175 C VAL A 14 2.506 -0.426 -7.044 1.00 0.00 C ATOM 176 O VAL A 14 1.504 -0.095 -6.412 1.00 0.00 O ATOM 177 CB VAL A 14 1.910 -0.612 -9.519 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.563 0.767 -9.630 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.174 -1.447 -10.773 1.00 0.00 C ATOM 0 H VAL A 14 0.493 -2.220 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 14 3.385 -1.723 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 14 0.833 -0.467 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.208 1.266 -10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.302 1.365 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.646 0.654 -9.681 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.826 -0.904 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.243 -1.638 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.641 -2.395 -10.698 1.00 0.00 H new ATOM 189 N ILE A 15 3.739 -0.041 -6.752 1.00 0.00 N ATOM 190 CA ILE A 15 4.002 0.832 -5.621 1.00 0.00 C ATOM 191 C ILE A 15 4.773 2.064 -6.101 1.00 0.00 C ATOM 192 O ILE A 15 5.997 2.027 -6.219 1.00 0.00 O ATOM 193 CB ILE A 15 4.708 0.063 -4.502 1.00 0.00 C ATOM 194 CG1 ILE A 15 3.911 -1.182 -4.106 1.00 0.00 C ATOM 195 CG2 ILE A 15 4.985 0.971 -3.303 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.744 -0.817 -3.187 1.00 0.00 C ATOM 0 H ILE A 15 4.567 -0.318 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 15 3.066 1.188 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 15 5.673 -0.278 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.533 -1.676 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.566 -1.893 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.487 0.400 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.622 1.799 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.043 1.362 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.194 -1.720 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.127 -0.345 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.078 -0.125 -3.702 1.00 0.00 H new ATOM 208 N ASN A 16 4.024 3.125 -6.365 1.00 0.00 N ATOM 209 CA ASN A 16 4.622 4.365 -6.830 1.00 0.00 C ATOM 210 C ASN A 16 5.080 5.188 -5.625 1.00 0.00 C ATOM 211 O ASN A 16 4.289 5.476 -4.728 1.00 0.00 O ATOM 212 CB ASN A 16 3.612 5.201 -7.618 1.00 0.00 C ATOM 213 CG ASN A 16 3.060 4.416 -8.809 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.714 4.236 -9.824 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.824 3.959 -8.630 1.00 0.00 N ATOM 0 H ASN A 16 3.009 3.151 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 16 5.463 4.113 -7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.793 5.500 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.088 6.116 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.367 3.422 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.333 4.146 -7.756 1.00 0.00 H new ATOM 222 N PHE A 17 6.356 5.545 -5.642 1.00 0.00 N ATOM 223 CA PHE A 17 6.929 6.330 -4.562 1.00 0.00 C ATOM 224 C PHE A 17 7.975 7.312 -5.092 1.00 0.00 C ATOM 225 O PHE A 17 8.385 7.223 -6.249 1.00 0.00 O ATOM 226 CB PHE A 17 7.608 5.346 -3.606 1.00 0.00 C ATOM 227 CG PHE A 17 8.933 4.787 -4.127 1.00 0.00 C ATOM 228 CD1 PHE A 17 10.090 5.469 -3.912 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.955 3.608 -4.804 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.320 4.950 -4.395 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.185 3.089 -5.288 1.00 0.00 C ATOM 232 CZ PHE A 17 11.342 3.772 -5.073 1.00 0.00 C ATOM 0 H PHE A 17 7.010 5.305 -6.387 1.00 0.00 H new ATOM 0 HA PHE A 17 6.148 6.906 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.785 5.845 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.928 4.517 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.073 6.405 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.036 3.066 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.239 5.491 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.202 2.153 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.278 3.378 -5.441 1.00 0.00 H new ATOM 242 N LYS A 18 8.377 8.226 -4.222 1.00 0.00 N ATOM 243 CA LYS A 18 9.368 9.224 -4.588 1.00 0.00 C ATOM 244 C LYS A 18 8.734 10.240 -5.540 1.00 0.00 C ATOM 245 O LYS A 18 9.423 11.103 -6.080 1.00 0.00 O ATOM 246 CB LYS A 18 10.622 8.552 -5.152 1.00 0.00 C ATOM 247 CG LYS A 18 11.767 8.590 -4.138 1.00 0.00 C ATOM 248 CD LYS A 18 13.125 8.567 -4.844 1.00 0.00 C ATOM 249 CE LYS A 18 14.162 7.809 -4.012 1.00 0.00 C ATOM 250 NZ LYS A 18 15.338 8.666 -3.745 1.00 0.00 N ATOM 0 H LYS A 18 8.034 8.297 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 18 9.698 9.774 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.398 7.518 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.927 9.055 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.686 9.488 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.689 7.737 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.023 8.096 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.467 9.588 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.717 7.488 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.473 6.908 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.032 8.137 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.771 8.952 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.039 9.513 -3.221 1.00 0.00 H new ATOM 264 N LYS A 19 7.428 10.103 -5.716 1.00 0.00 N ATOM 265 CA LYS A 19 6.693 10.999 -6.593 1.00 0.00 C ATOM 266 C LYS A 19 7.277 10.915 -8.005 1.00 0.00 C ATOM 267 O LYS A 19 7.486 11.938 -8.656 1.00 0.00 O ATOM 268 CB LYS A 19 6.675 12.417 -6.018 1.00 0.00 C ATOM 269 CG LYS A 19 5.467 12.621 -5.101 1.00 0.00 C ATOM 270 CD LYS A 19 4.968 14.066 -5.166 1.00 0.00 C ATOM 271 CE LYS A 19 3.507 14.122 -5.614 1.00 0.00 C ATOM 272 NZ LYS A 19 2.755 15.109 -4.807 1.00 0.00 N ATOM 0 H LYS A 19 6.860 9.385 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 19 5.649 10.695 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.594 12.599 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.646 13.143 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.666 11.942 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.738 12.372 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.070 14.534 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.586 14.637 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.454 14.390 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.051 13.137 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.765 15.134 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.790 14.836 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.181 16.051 -4.925 1.00 0.00 H new ATOM 286 N THR A 20 7.523 9.687 -8.437 1.00 0.00 N ATOM 287 CA THR A 20 8.079 9.457 -9.760 1.00 0.00 C ATOM 288 C THR A 20 8.488 7.991 -9.919 1.00 0.00 C ATOM 289 O THR A 20 8.142 7.350 -10.910 1.00 0.00 O ATOM 290 CB THR A 20 9.236 10.436 -9.964 1.00 0.00 C ATOM 291 OG1 THR A 20 10.156 9.721 -10.783 1.00 0.00 O ATOM 292 CG2 THR A 20 10.014 10.700 -8.673 1.00 0.00 C ATOM 0 H THR A 20 7.348 8.841 -7.895 1.00 0.00 H new ATOM 0 HA THR A 20 7.338 9.641 -10.538 1.00 0.00 H new ATOM 0 HB THR A 20 8.850 11.378 -10.354 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.937 10.284 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.824 11.401 -8.873 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.344 11.123 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.429 9.763 -8.300 1.00 0.00 H new ATOM 300 N GLN A 21 9.219 7.503 -8.927 1.00 0.00 N ATOM 301 CA GLN A 21 9.679 6.125 -8.944 1.00 0.00 C ATOM 302 C GLN A 21 8.556 5.185 -8.501 1.00 0.00 C ATOM 303 O GLN A 21 7.607 5.612 -7.844 1.00 0.00 O ATOM 304 CB GLN A 21 10.919 5.950 -8.065 1.00 0.00 C ATOM 305 CG GLN A 21 11.990 6.984 -8.417 1.00 0.00 C ATOM 306 CD GLN A 21 13.364 6.546 -7.904 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.501 5.592 -7.156 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.370 7.294 -8.348 1.00 0.00 N ATOM 0 H GLN A 21 9.504 8.038 -8.106 1.00 0.00 H new ATOM 0 HA GLN A 21 9.959 5.869 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.642 6.050 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.322 4.945 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.028 7.120 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.726 7.948 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.185 8.079 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.327 7.083 -8.064 1.00 0.00 H new ATOM 317 N LYS A 22 8.700 3.924 -8.879 1.00 0.00 N ATOM 318 CA LYS A 22 7.709 2.920 -8.530 1.00 0.00 C ATOM 319 C LYS A 22 8.387 1.551 -8.439 1.00 0.00 C ATOM 320 O LYS A 22 9.374 1.296 -9.127 1.00 0.00 O ATOM 321 CB LYS A 22 6.535 2.961 -9.510 1.00 0.00 C ATOM 322 CG LYS A 22 7.017 2.780 -10.951 1.00 0.00 C ATOM 323 CD LYS A 22 6.169 1.741 -11.686 1.00 0.00 C ATOM 324 CE LYS A 22 6.634 1.580 -13.135 1.00 0.00 C ATOM 325 NZ LYS A 22 6.701 0.147 -13.501 1.00 0.00 N ATOM 0 H LYS A 22 9.488 3.574 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 22 7.282 3.131 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.821 2.176 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.010 3.912 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.967 3.733 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.062 2.469 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.234 0.783 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.122 2.042 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.948 2.101 -13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.614 2.040 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.018 0.055 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.373 -0.340 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.759 -0.282 -13.399 1.00 0.00 H new ATOM 339 N THR A 23 7.830 0.706 -7.584 1.00 0.00 N ATOM 340 CA THR A 23 8.368 -0.630 -7.394 1.00 0.00 C ATOM 341 C THR A 23 7.241 -1.666 -7.409 1.00 0.00 C ATOM 342 O THR A 23 6.140 -1.398 -6.931 1.00 0.00 O ATOM 343 CB THR A 23 9.179 -0.633 -6.097 1.00 0.00 C ATOM 344 OG1 THR A 23 9.774 -1.928 -6.063 1.00 0.00 O ATOM 345 CG2 THR A 23 8.291 -0.599 -4.851 1.00 0.00 C ATOM 0 H THR A 23 7.011 0.921 -7.015 1.00 0.00 H new ATOM 0 HA THR A 23 9.034 -0.908 -8.211 1.00 0.00 H new ATOM 0 HB THR A 23 9.851 0.225 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.320 -2.016 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.916 -0.603 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.681 0.304 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.642 -1.475 -4.843 1.00 0.00 H new ATOM 353 N ILE A 24 7.556 -2.827 -7.964 1.00 0.00 N ATOM 354 CA ILE A 24 6.584 -3.904 -8.047 1.00 0.00 C ATOM 355 C ILE A 24 6.898 -4.953 -6.978 1.00 0.00 C ATOM 356 O ILE A 24 8.061 -5.279 -6.746 1.00 0.00 O ATOM 357 CB ILE A 24 6.533 -4.470 -9.468 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.073 -3.406 -10.466 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.662 -5.726 -9.527 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.604 -3.044 -10.243 1.00 0.00 C ATOM 0 H ILE A 24 8.470 -3.045 -8.360 1.00 0.00 H new ATOM 0 HA ILE A 24 5.581 -3.529 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 24 7.543 -4.765 -9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.691 -2.514 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.211 -3.773 -11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.643 -6.108 -10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.074 -6.486 -8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.648 -5.480 -9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.302 -2.286 -10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.987 -3.933 -10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.474 -2.655 -9.233 1.00 0.00 H new ATOM 372 N VAL A 25 5.840 -5.451 -6.356 1.00 0.00 N ATOM 373 CA VAL A 25 5.988 -6.456 -5.317 1.00 0.00 C ATOM 374 C VAL A 25 4.859 -7.481 -5.440 1.00 0.00 C ATOM 375 O VAL A 25 3.775 -7.160 -5.925 1.00 0.00 O ATOM 376 CB VAL A 25 6.040 -5.785 -3.943 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.175 -4.761 -3.875 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.696 -5.138 -3.598 1.00 0.00 C ATOM 0 H VAL A 25 4.877 -5.178 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 25 6.929 -6.993 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 25 6.241 -6.557 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.189 -4.299 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.127 -5.260 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.018 -3.993 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.760 -4.668 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.453 -4.384 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.918 -5.901 -3.585 1.00 0.00 H new ATOM 388 N ARG A 26 5.151 -8.693 -4.992 1.00 0.00 N ATOM 389 CA ARG A 26 4.174 -9.767 -5.045 1.00 0.00 C ATOM 390 C ARG A 26 3.605 -10.037 -3.651 1.00 0.00 C ATOM 391 O ARG A 26 4.312 -10.530 -2.773 1.00 0.00 O ATOM 392 CB ARG A 26 4.797 -11.052 -5.593 1.00 0.00 C ATOM 393 CG ARG A 26 4.158 -11.447 -6.925 1.00 0.00 C ATOM 394 CD ARG A 26 5.194 -12.057 -7.871 1.00 0.00 C ATOM 395 NE ARG A 26 4.561 -13.097 -8.713 1.00 0.00 N ATOM 396 CZ ARG A 26 4.359 -14.362 -8.320 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.738 -14.751 -7.095 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.777 -15.237 -9.151 1.00 0.00 N ATOM 0 H ARG A 26 6.051 -8.955 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 26 3.372 -9.453 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.869 -10.912 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.669 -11.859 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.355 -12.163 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.707 -10.570 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.625 -11.279 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.012 -12.491 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 26 4.260 -12.834 -9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.180 -14.084 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.584 -15.714 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.488 -14.940 -10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.623 -16.200 -8.852 1.00 0.00 H new ATOM 412 N VAL A 27 2.333 -9.703 -3.490 1.00 0.00 N ATOM 413 CA VAL A 27 1.662 -9.904 -2.217 1.00 0.00 C ATOM 414 C VAL A 27 0.307 -10.573 -2.460 1.00 0.00 C ATOM 415 O VAL A 27 -0.061 -10.841 -3.603 1.00 0.00 O ATOM 416 CB VAL A 27 1.547 -8.574 -1.471 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.793 -8.311 -0.624 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.291 -7.420 -2.443 1.00 0.00 C ATOM 0 H VAL A 27 1.749 -9.295 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 27 2.243 -10.570 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 27 0.692 -8.641 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.685 -7.359 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.912 -9.112 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.671 -8.275 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.213 -6.486 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.116 -7.352 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.361 -7.599 -2.983 1.00 0.00 H new ATOM 428 N SER A 28 -0.398 -10.822 -1.366 1.00 0.00 N ATOM 429 CA SER A 28 -1.704 -11.454 -1.446 1.00 0.00 C ATOM 430 C SER A 28 -2.795 -10.388 -1.564 1.00 0.00 C ATOM 431 O SER A 28 -2.784 -9.399 -0.832 1.00 0.00 O ATOM 432 CB SER A 28 -1.961 -12.344 -0.228 1.00 0.00 C ATOM 433 OG SER A 28 -2.241 -13.690 -0.601 1.00 0.00 O ATOM 0 H SER A 28 -0.090 -10.598 -0.420 1.00 0.00 H new ATOM 0 HA SER A 28 -1.724 -12.085 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.090 -12.323 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.799 -11.944 0.343 1.00 0.00 H new ATOM 0 HG SER A 28 -2.398 -14.227 0.204 1.00 0.00 H new ATOM 439 N PRO A 29 -3.736 -10.630 -2.516 1.00 0.00 N ATOM 440 CA PRO A 29 -4.832 -9.703 -2.739 1.00 0.00 C ATOM 441 C PRO A 29 -5.878 -9.812 -1.627 1.00 0.00 C ATOM 442 O PRO A 29 -6.805 -9.007 -1.561 1.00 0.00 O ATOM 443 CB PRO A 29 -5.381 -10.064 -4.109 1.00 0.00 C ATOM 444 CG PRO A 29 -4.881 -11.470 -4.401 1.00 0.00 C ATOM 445 CD PRO A 29 -3.781 -11.790 -3.401 1.00 0.00 C ATOM 0 HA PRO A 29 -4.513 -8.661 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.470 -10.028 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.034 -9.361 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.695 -12.190 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.501 -11.536 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.002 -12.702 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.825 -11.945 -3.900 1.00 0.00 H new ATOM 453 N HIS A 30 -5.693 -10.816 -0.782 1.00 0.00 N ATOM 454 CA HIS A 30 -6.610 -11.041 0.323 1.00 0.00 C ATOM 455 C HIS A 30 -6.292 -10.068 1.460 1.00 0.00 C ATOM 456 O HIS A 30 -7.116 -9.224 1.809 1.00 0.00 O ATOM 457 CB HIS A 30 -6.575 -12.505 0.768 1.00 0.00 C ATOM 458 CG HIS A 30 -7.139 -13.469 -0.248 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.494 -13.578 -0.507 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.517 -14.366 -1.067 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.669 -14.502 -1.440 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.442 -14.990 -1.785 1.00 0.00 N ATOM 0 H HIS A 30 -4.923 -11.482 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.632 -10.844 -0.002 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.544 -12.784 0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.134 -12.605 1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.452 -14.539 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.616 -14.814 -1.855 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.265 -15.715 -2.480 1.00 0.00 H new ATOM 470 N ALA A 31 -5.094 -10.218 2.007 1.00 0.00 N ATOM 471 CA ALA A 31 -4.657 -9.364 3.098 1.00 0.00 C ATOM 472 C ALA A 31 -4.993 -7.908 2.765 1.00 0.00 C ATOM 473 O ALA A 31 -5.020 -7.525 1.597 1.00 0.00 O ATOM 474 CB ALA A 31 -3.162 -9.575 3.345 1.00 0.00 C ATOM 0 H ALA A 31 -4.413 -10.918 1.715 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.179 -9.621 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.834 -8.934 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.980 -10.618 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.605 -9.324 2.442 1.00 0.00 H new ATOM 480 N SER A 32 -5.240 -7.137 3.814 1.00 0.00 N ATOM 481 CA SER A 32 -5.573 -5.733 3.648 1.00 0.00 C ATOM 482 C SER A 32 -4.297 -4.888 3.655 1.00 0.00 C ATOM 483 O SER A 32 -3.313 -5.249 4.299 1.00 0.00 O ATOM 484 CB SER A 32 -6.528 -5.260 4.746 1.00 0.00 C ATOM 485 OG SER A 32 -7.308 -6.330 5.272 1.00 0.00 O ATOM 0 H SER A 32 -5.216 -7.458 4.782 1.00 0.00 H new ATOM 0 HA SER A 32 -6.076 -5.612 2.689 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.955 -4.799 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.190 -4.492 4.345 1.00 0.00 H new ATOM 0 HG SER A 32 -8.229 -6.026 5.412 1.00 0.00 H new ATOM 491 N LEU A 33 -4.355 -3.780 2.931 1.00 0.00 N ATOM 492 CA LEU A 33 -3.217 -2.881 2.846 1.00 0.00 C ATOM 493 C LEU A 33 -2.679 -2.611 4.253 1.00 0.00 C ATOM 494 O LEU A 33 -1.496 -2.319 4.424 1.00 0.00 O ATOM 495 CB LEU A 33 -3.592 -1.613 2.077 1.00 0.00 C ATOM 496 CG LEU A 33 -3.909 -1.799 0.592 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.733 -0.626 0.057 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.631 -2.018 -0.220 1.00 0.00 C ATOM 0 H LEU A 33 -5.173 -3.484 2.398 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.409 -3.343 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.459 -1.162 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.771 -0.901 2.167 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.517 -2.697 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.945 -0.783 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.671 -0.558 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.171 0.300 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.886 -2.147 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.977 -1.153 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.119 -2.910 0.141 1.00 0.00 H new ATOM 510 N GLN A 34 -3.574 -2.718 5.224 1.00 0.00 N ATOM 511 CA GLN A 34 -3.204 -2.489 6.610 1.00 0.00 C ATOM 512 C GLN A 34 -2.107 -3.467 7.036 1.00 0.00 C ATOM 513 O GLN A 34 -1.237 -3.121 7.834 1.00 0.00 O ATOM 514 CB GLN A 34 -4.423 -2.599 7.528 1.00 0.00 C ATOM 515 CG GLN A 34 -3.999 -2.875 8.972 1.00 0.00 C ATOM 516 CD GLN A 34 -5.116 -2.509 9.951 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.190 -1.405 10.465 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.980 -3.494 10.180 1.00 0.00 N ATOM 0 H GLN A 34 -4.554 -2.960 5.078 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.814 -1.475 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.000 -1.675 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.076 -3.399 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.743 -3.928 9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.102 -2.302 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.861 -4.395 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.762 -3.348 10.819 1.00 0.00 H new ATOM 527 N GLU A 35 -2.184 -4.669 6.484 1.00 0.00 N ATOM 528 CA GLU A 35 -1.208 -5.699 6.797 1.00 0.00 C ATOM 529 C GLU A 35 -0.080 -5.693 5.763 1.00 0.00 C ATOM 530 O GLU A 35 1.008 -6.205 6.023 1.00 0.00 O ATOM 531 CB GLU A 35 -1.871 -7.076 6.876 1.00 0.00 C ATOM 532 CG GLU A 35 -2.133 -7.476 8.329 1.00 0.00 C ATOM 533 CD GLU A 35 -0.829 -7.531 9.127 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.112 -8.543 8.972 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.577 -6.560 9.873 1.00 0.00 O ATOM 0 H GLU A 35 -2.907 -4.953 5.822 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.779 -5.481 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.811 -7.063 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.231 -7.819 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.815 -6.761 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.623 -8.449 8.359 1.00 0.00 H new ATOM 542 N LEU A 36 -0.378 -5.107 4.613 1.00 0.00 N ATOM 543 CA LEU A 36 0.598 -5.027 3.539 1.00 0.00 C ATOM 544 C LEU A 36 1.329 -3.685 3.619 1.00 0.00 C ATOM 545 O LEU A 36 2.200 -3.399 2.799 1.00 0.00 O ATOM 546 CB LEU A 36 -0.070 -5.284 2.187 1.00 0.00 C ATOM 547 CG LEU A 36 -0.859 -6.590 2.067 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.694 -6.609 0.785 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.068 -7.802 2.166 1.00 0.00 C ATOM 0 H LEU A 36 -1.281 -4.683 4.401 1.00 0.00 H new ATOM 0 HA LEU A 36 1.351 -5.808 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.744 -4.454 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.700 -5.276 1.416 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.554 -6.648 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.245 -7.547 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.397 -5.776 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.036 -6.517 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.518 -8.717 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.804 -7.764 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.580 -7.791 3.128 1.00 0.00 H new ATOM 561 N ALA A 37 0.947 -2.897 4.613 1.00 0.00 N ATOM 562 CA ALA A 37 1.554 -1.592 4.810 1.00 0.00 C ATOM 563 C ALA A 37 3.067 -1.758 4.972 1.00 0.00 C ATOM 564 O ALA A 37 3.844 -1.075 4.307 1.00 0.00 O ATOM 565 CB ALA A 37 0.911 -0.906 6.017 1.00 0.00 C ATOM 0 H ALA A 37 0.224 -3.138 5.291 1.00 0.00 H new ATOM 0 HA ALA A 37 1.382 -0.954 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.367 0.073 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.158 -0.786 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.065 -1.516 6.907 1.00 0.00 H new ATOM 571 N PRO A 38 3.448 -2.693 5.882 1.00 0.00 N ATOM 572 CA PRO A 38 4.854 -2.957 6.139 1.00 0.00 C ATOM 573 C PRO A 38 5.478 -3.763 4.998 1.00 0.00 C ATOM 574 O PRO A 38 6.586 -3.462 4.555 1.00 0.00 O ATOM 575 CB PRO A 38 4.879 -3.694 7.469 1.00 0.00 C ATOM 576 CG PRO A 38 3.470 -4.223 7.679 1.00 0.00 C ATOM 577 CD PRO A 38 2.556 -3.522 6.688 1.00 0.00 C ATOM 0 HA PRO A 38 5.450 -2.046 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.603 -4.508 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.170 -3.027 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.441 -5.302 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.140 -4.036 8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.017 -4.240 6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.808 -2.917 7.199 1.00 0.00 H new ATOM 585 N ILE A 39 4.741 -4.771 4.555 1.00 0.00 N ATOM 586 CA ILE A 39 5.209 -5.622 3.474 1.00 0.00 C ATOM 587 C ILE A 39 5.500 -4.761 2.244 1.00 0.00 C ATOM 588 O ILE A 39 6.336 -5.119 1.415 1.00 0.00 O ATOM 589 CB ILE A 39 4.211 -6.752 3.212 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.233 -7.777 4.348 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.463 -7.400 1.850 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.823 -8.032 4.883 1.00 0.00 C ATOM 0 H ILE A 39 3.823 -5.018 4.925 1.00 0.00 H new ATOM 0 HA ILE A 39 6.143 -6.111 3.750 1.00 0.00 H new ATOM 0 HB ILE A 39 3.209 -6.324 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.665 -8.712 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.872 -7.418 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.740 -8.200 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.357 -6.651 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.472 -7.812 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.867 -8.764 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.403 -7.100 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.193 -8.414 4.080 1.00 0.00 H new ATOM 604 N ILE A 40 4.795 -3.643 2.162 1.00 0.00 N ATOM 605 CA ILE A 40 4.967 -2.728 1.046 1.00 0.00 C ATOM 606 C ILE A 40 6.077 -1.729 1.378 1.00 0.00 C ATOM 607 O ILE A 40 7.097 -1.677 0.692 1.00 0.00 O ATOM 608 CB ILE A 40 3.635 -2.069 0.682 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.732 -3.042 -0.079 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.860 -0.770 -0.093 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.307 -2.496 -0.187 1.00 0.00 C ATOM 0 H ILE A 40 4.102 -3.349 2.851 1.00 0.00 H new ATOM 0 HA ILE A 40 5.281 -3.270 0.154 1.00 0.00 H new ATOM 0 HB ILE A 40 3.119 -1.807 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.136 -3.214 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.719 -4.006 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.897 -0.322 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.437 -0.077 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.406 -0.984 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.686 -3.206 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.897 -2.348 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.321 -1.544 -0.718 1.00 0.00 H new ATOM 623 N CYS A 41 5.842 -0.960 2.431 1.00 0.00 N ATOM 624 CA CYS A 41 6.809 0.035 2.863 1.00 0.00 C ATOM 625 C CYS A 41 8.177 -0.641 2.973 1.00 0.00 C ATOM 626 O CYS A 41 9.168 -0.135 2.449 1.00 0.00 O ATOM 627 CB CYS A 41 6.392 0.696 4.178 1.00 0.00 C ATOM 628 SG CYS A 41 5.648 2.335 3.846 1.00 0.00 S ATOM 0 H CYS A 41 4.995 -1.006 2.998 1.00 0.00 H new ATOM 0 HA CYS A 41 6.860 0.839 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.677 0.062 4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.258 0.806 4.830 1.00 0.00 H new ATOM 0 HG CYS A 41 4.877 2.671 4.838 1.00 0.00 H new ATOM 634 N SER A 42 8.188 -1.775 3.659 1.00 0.00 N ATOM 635 CA SER A 42 9.418 -2.526 3.844 1.00 0.00 C ATOM 636 C SER A 42 10.070 -2.806 2.489 1.00 0.00 C ATOM 637 O SER A 42 11.282 -2.664 2.338 1.00 0.00 O ATOM 638 CB SER A 42 9.156 -3.837 4.589 1.00 0.00 C ATOM 639 OG SER A 42 10.366 -4.495 4.952 1.00 0.00 O ATOM 0 H SER A 42 7.365 -2.192 4.093 1.00 0.00 H new ATOM 0 HA SER A 42 10.097 -1.925 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.571 -3.634 5.486 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.558 -4.498 3.961 1.00 0.00 H new ATOM 0 HG SER A 42 10.157 -5.326 5.427 1.00 0.00 H new ATOM 645 N LYS A 43 9.236 -3.199 1.537 1.00 0.00 N ATOM 646 CA LYS A 43 9.716 -3.500 0.199 1.00 0.00 C ATOM 647 C LYS A 43 10.418 -2.268 -0.375 1.00 0.00 C ATOM 648 O LYS A 43 11.446 -2.389 -1.040 1.00 0.00 O ATOM 649 CB LYS A 43 8.573 -4.020 -0.676 1.00 0.00 C ATOM 650 CG LYS A 43 8.333 -5.512 -0.434 1.00 0.00 C ATOM 651 CD LYS A 43 9.100 -6.362 -1.449 1.00 0.00 C ATOM 652 CE LYS A 43 8.696 -7.834 -1.348 1.00 0.00 C ATOM 653 NZ LYS A 43 9.793 -8.707 -1.822 1.00 0.00 N ATOM 0 H LYS A 43 8.231 -3.316 1.666 1.00 0.00 H new ATOM 0 HA LYS A 43 10.453 -4.302 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.662 -3.462 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.809 -3.852 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.646 -5.775 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.267 -5.729 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.904 -5.996 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.172 -6.263 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.449 -8.079 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.799 -8.012 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.502 -9.703 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.010 -8.484 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.639 -8.549 -1.239 1.00 0.00 H new ATOM 667 N CYS A 44 9.835 -1.111 -0.098 1.00 0.00 N ATOM 668 CA CYS A 44 10.393 0.142 -0.579 1.00 0.00 C ATOM 669 C CYS A 44 11.217 0.766 0.549 1.00 0.00 C ATOM 670 O CYS A 44 11.505 1.961 0.524 1.00 0.00 O ATOM 671 CB CYS A 44 9.302 1.090 -1.081 1.00 0.00 C ATOM 672 SG CYS A 44 9.595 1.506 -2.839 1.00 0.00 S ATOM 0 H CYS A 44 8.982 -1.015 0.453 1.00 0.00 H new ATOM 0 HA CYS A 44 11.039 -0.049 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.323 0.624 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.294 1.999 -0.480 1.00 0.00 H new ATOM 0 HG CYS A 44 9.031 2.644 -3.115 1.00 0.00 H new ATOM 678 N GLU A 45 11.572 -0.072 1.512 1.00 0.00 N ATOM 679 CA GLU A 45 12.357 0.382 2.647 1.00 0.00 C ATOM 680 C GLU A 45 11.834 1.729 3.149 1.00 0.00 C ATOM 681 O GLU A 45 12.616 2.621 3.475 1.00 0.00 O ATOM 682 CB GLU A 45 13.842 0.471 2.287 1.00 0.00 C ATOM 683 CG GLU A 45 14.507 -0.905 2.360 1.00 0.00 C ATOM 684 CD GLU A 45 16.031 -0.778 2.373 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.555 -0.138 1.435 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.638 -1.323 3.320 1.00 0.00 O ATOM 0 H GLU A 45 11.330 -1.063 1.529 1.00 0.00 H new ATOM 0 HA GLU A 45 12.254 -0.348 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.953 0.879 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.344 1.158 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.174 -1.426 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.196 -1.509 1.507 1.00 0.00 H new ATOM 693 N PHE A 46 10.514 1.835 3.197 1.00 0.00 N ATOM 694 CA PHE A 46 9.877 3.058 3.654 1.00 0.00 C ATOM 695 C PHE A 46 9.474 2.949 5.126 1.00 0.00 C ATOM 696 O PHE A 46 9.634 1.896 5.741 1.00 0.00 O ATOM 697 CB PHE A 46 8.618 3.250 2.806 1.00 0.00 C ATOM 698 CG PHE A 46 8.822 4.148 1.583 1.00 0.00 C ATOM 699 CD1 PHE A 46 10.069 4.325 1.070 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.756 4.768 1.010 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.258 5.158 -0.064 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.946 5.601 -0.124 1.00 0.00 C ATOM 703 CZ PHE A 46 9.193 5.778 -0.638 1.00 0.00 C ATOM 0 H PHE A 46 9.868 1.093 2.927 1.00 0.00 H new ATOM 0 HA PHE A 46 10.566 3.896 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.265 2.274 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.833 3.677 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.915 3.832 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.766 4.627 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.248 5.299 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.100 6.094 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.337 6.411 -1.501 1.00 0.00 H new ATOM 713 N ASP A 47 8.959 4.053 5.648 1.00 0.00 N ATOM 714 CA ASP A 47 8.532 4.095 7.036 1.00 0.00 C ATOM 715 C ASP A 47 7.003 4.121 7.095 1.00 0.00 C ATOM 716 O ASP A 47 6.377 5.078 6.641 1.00 0.00 O ATOM 717 CB ASP A 47 9.053 5.352 7.735 1.00 0.00 C ATOM 718 CG ASP A 47 10.419 5.198 8.408 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.514 4.338 9.310 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.337 5.944 8.005 1.00 0.00 O ATOM 0 H ASP A 47 8.828 4.925 5.135 1.00 0.00 H new ATOM 0 HA ASP A 47 8.929 3.212 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.114 6.158 7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.326 5.659 8.487 1.00 0.00 H new ATOM 725 N PRO A 48 6.431 3.031 7.672 1.00 0.00 N ATOM 726 CA PRO A 48 4.987 2.920 7.796 1.00 0.00 C ATOM 727 C PRO A 48 4.461 3.829 8.909 1.00 0.00 C ATOM 728 O PRO A 48 3.256 3.889 9.148 1.00 0.00 O ATOM 729 CB PRO A 48 4.727 1.446 8.059 1.00 0.00 C ATOM 730 CG PRO A 48 6.050 0.867 8.534 1.00 0.00 C ATOM 731 CD PRO A 48 7.140 1.878 8.220 1.00 0.00 C ATOM 0 HA PRO A 48 4.461 3.249 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.950 1.315 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.383 0.943 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.015 0.663 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.253 -0.081 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.700 2.147 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.857 1.477 7.504 1.00 0.00 H new ATOM 739 N LEU A 49 5.391 4.512 9.560 1.00 0.00 N ATOM 740 CA LEU A 49 5.036 5.414 10.642 1.00 0.00 C ATOM 741 C LEU A 49 4.178 6.554 10.090 1.00 0.00 C ATOM 742 O LEU A 49 3.118 6.858 10.636 1.00 0.00 O ATOM 743 CB LEU A 49 6.291 5.890 11.377 1.00 0.00 C ATOM 744 CG LEU A 49 6.595 5.195 12.706 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.085 5.282 13.042 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.720 5.755 13.829 1.00 0.00 C ATOM 0 H LEU A 49 6.390 4.459 9.359 1.00 0.00 H new ATOM 0 HA LEU A 49 4.435 4.894 11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.147 5.757 10.716 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.195 6.960 11.563 1.00 0.00 H new ATOM 0 HG LEU A 49 6.350 4.138 12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.274 4.780 13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.664 4.799 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.380 6.328 13.120 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.956 5.244 14.763 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.911 6.822 13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.669 5.598 13.585 1.00 0.00 H new ATOM 758 N HIS A 50 4.667 7.152 9.014 1.00 0.00 N ATOM 759 CA HIS A 50 3.958 8.251 8.381 1.00 0.00 C ATOM 760 C HIS A 50 3.805 7.970 6.885 1.00 0.00 C ATOM 761 O HIS A 50 4.296 8.732 6.054 1.00 0.00 O ATOM 762 CB HIS A 50 4.655 9.583 8.666 1.00 0.00 C ATOM 763 CG HIS A 50 6.153 9.473 8.815 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.875 10.233 9.718 1.00 0.00 N ATOM 765 CD2 HIS A 50 7.057 8.683 8.167 1.00 0.00 C ATOM 766 CE1 HIS A 50 8.155 9.908 9.610 1.00 0.00 C ATOM 767 NE2 HIS A 50 8.266 8.948 8.647 1.00 0.00 N ATOM 0 H HIS A 50 5.546 6.896 8.564 1.00 0.00 H new ATOM 0 HA HIS A 50 2.957 8.334 8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.431 10.279 7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.240 10.010 9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.828 7.964 7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.968 10.329 10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.135 8.507 8.346 1.00 0.00 H new ATOM 775 N THR A 51 3.122 6.875 6.588 1.00 0.00 N ATOM 776 CA THR A 51 2.898 6.484 5.207 1.00 0.00 C ATOM 777 C THR A 51 1.399 6.402 4.912 1.00 0.00 C ATOM 778 O THR A 51 0.636 5.851 5.704 1.00 0.00 O ATOM 779 CB THR A 51 3.638 5.167 4.963 1.00 0.00 C ATOM 780 OG1 THR A 51 4.990 5.563 4.748 1.00 0.00 O ATOM 781 CG2 THR A 51 3.231 4.502 3.646 1.00 0.00 C ATOM 0 H THR A 51 2.716 6.246 7.281 1.00 0.00 H new ATOM 0 HA THR A 51 3.293 7.229 4.516 1.00 0.00 H new ATOM 0 HB THR A 51 3.445 4.484 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.463 5.592 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.785 3.572 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.162 4.288 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.455 5.172 2.816 1.00 0.00 H new ATOM 789 N LEU A 52 1.022 6.959 3.770 1.00 0.00 N ATOM 790 CA LEU A 52 -0.372 6.956 3.361 1.00 0.00 C ATOM 791 C LEU A 52 -0.519 6.144 2.073 1.00 0.00 C ATOM 792 O LEU A 52 0.452 5.949 1.343 1.00 0.00 O ATOM 793 CB LEU A 52 -0.900 8.388 3.248 1.00 0.00 C ATOM 794 CG LEU A 52 -1.848 8.842 4.361 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.460 10.206 4.036 1.00 0.00 C ATOM 796 CD2 LEU A 52 -2.918 7.784 4.636 1.00 0.00 C ATOM 0 H LEU A 52 1.658 7.415 3.116 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.990 6.471 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.048 9.068 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.417 8.490 2.294 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.269 8.959 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.129 10.506 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.666 10.945 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.021 10.140 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.578 8.132 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.500 7.611 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.440 6.854 4.943 1.00 0.00 H new ATOM 808 N LEU A 53 -1.741 5.691 1.832 1.00 0.00 N ATOM 809 CA LEU A 53 -2.028 4.904 0.645 1.00 0.00 C ATOM 810 C LEU A 53 -3.121 5.598 -0.170 1.00 0.00 C ATOM 811 O LEU A 53 -4.299 5.526 0.177 1.00 0.00 O ATOM 812 CB LEU A 53 -2.367 3.462 1.027 1.00 0.00 C ATOM 813 CG LEU A 53 -1.298 2.710 1.823 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.746 1.278 2.125 1.00 0.00 C ATOM 815 CD2 LEU A 53 0.050 2.748 1.101 1.00 0.00 C ATOM 0 H LEU A 53 -2.544 5.854 2.439 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.146 4.841 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.288 3.468 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.572 2.904 0.114 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.166 3.215 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.969 0.765 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.666 1.300 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.923 0.747 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.792 2.207 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.049 2.281 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.369 3.783 0.979 1.00 0.00 H new ATOM 827 N LEU A 54 -2.693 6.254 -1.238 1.00 0.00 N ATOM 828 CA LEU A 54 -3.621 6.961 -2.104 1.00 0.00 C ATOM 829 C LEU A 54 -3.927 6.096 -3.329 1.00 0.00 C ATOM 830 O LEU A 54 -3.239 5.108 -3.583 1.00 0.00 O ATOM 831 CB LEU A 54 -3.079 8.349 -2.452 1.00 0.00 C ATOM 832 CG LEU A 54 -2.671 9.226 -1.266 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.880 9.563 -0.392 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.546 8.571 -0.461 1.00 0.00 C ATOM 0 H LEU A 54 -1.715 6.311 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.566 7.133 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.213 8.227 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.838 8.880 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.283 10.167 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.562 10.187 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.620 10.100 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.321 8.642 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.275 9.215 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.884 7.606 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.677 8.425 -1.103 1.00 0.00 H new ATOM 846 N LYS A 55 -4.959 6.499 -4.055 1.00 0.00 N ATOM 847 CA LYS A 55 -5.365 5.773 -5.246 1.00 0.00 C ATOM 848 C LYS A 55 -4.166 5.631 -6.185 1.00 0.00 C ATOM 849 O LYS A 55 -3.829 4.525 -6.606 1.00 0.00 O ATOM 850 CB LYS A 55 -6.578 6.443 -5.895 1.00 0.00 C ATOM 851 CG LYS A 55 -7.716 6.610 -4.886 1.00 0.00 C ATOM 852 CD LYS A 55 -8.777 5.523 -5.071 1.00 0.00 C ATOM 853 CE LYS A 55 -9.682 5.837 -6.264 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.981 6.376 -5.802 1.00 0.00 N ATOM 0 H LYS A 55 -5.526 7.319 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.688 4.765 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.292 7.418 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.920 5.845 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.318 6.565 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.172 7.593 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.292 4.559 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.379 5.439 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.194 6.559 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.845 4.934 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.583 6.584 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.452 5.674 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.822 7.249 -5.260 1.00 0.00 H new ATOM 868 N ASP A 56 -3.553 6.767 -6.486 1.00 0.00 N ATOM 869 CA ASP A 56 -2.398 6.783 -7.368 1.00 0.00 C ATOM 870 C ASP A 56 -1.629 8.091 -7.169 1.00 0.00 C ATOM 871 O ASP A 56 -2.041 8.945 -6.385 1.00 0.00 O ATOM 872 CB ASP A 56 -2.824 6.704 -8.835 1.00 0.00 C ATOM 873 CG ASP A 56 -3.861 5.625 -9.150 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.019 5.806 -8.715 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.473 4.642 -9.819 1.00 0.00 O ATOM 0 H ASP A 56 -3.834 7.682 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.777 5.921 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.227 7.672 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.939 6.525 -9.446 1.00 0.00 H new ATOM 880 N TYR A 57 -0.524 8.206 -7.891 1.00 0.00 N ATOM 881 CA TYR A 57 0.307 9.395 -7.803 1.00 0.00 C ATOM 882 C TYR A 57 -0.492 10.650 -8.161 1.00 0.00 C ATOM 883 O TYR A 57 -0.334 11.693 -7.528 1.00 0.00 O ATOM 884 CB TYR A 57 1.423 9.206 -8.832 1.00 0.00 C ATOM 885 CG TYR A 57 2.059 10.513 -9.308 1.00 0.00 C ATOM 886 CD1 TYR A 57 3.110 11.066 -8.604 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.582 11.140 -10.441 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.708 12.297 -9.052 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.180 12.371 -10.889 1.00 0.00 C ATOM 890 CZ TYR A 57 3.214 12.889 -10.173 1.00 0.00 C ATOM 891 OH TYR A 57 3.779 14.051 -10.596 1.00 0.00 O ATOM 0 H TYR A 57 -0.185 7.495 -8.539 1.00 0.00 H new ATOM 0 HA TYR A 57 0.689 9.522 -6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.198 8.573 -8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.021 8.674 -9.695 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.484 10.575 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.760 10.707 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.530 12.740 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.816 12.872 -11.774 1.00 0.00 H new ATOM 0 HH TYR A 57 3.325 14.359 -11.408 1.00 0.00 H new ATOM 901 N GLN A 58 -1.334 10.508 -9.174 1.00 0.00 N ATOM 902 CA GLN A 58 -2.158 11.617 -9.623 1.00 0.00 C ATOM 903 C GLN A 58 -3.205 11.964 -8.563 1.00 0.00 C ATOM 904 O GLN A 58 -3.170 13.047 -7.981 1.00 0.00 O ATOM 905 CB GLN A 58 -2.821 11.299 -10.965 1.00 0.00 C ATOM 906 CG GLN A 58 -3.049 12.573 -11.780 1.00 0.00 C ATOM 907 CD GLN A 58 -4.481 12.633 -12.316 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.414 13.008 -11.626 1.00 0.00 O ATOM 909 NE2 GLN A 58 -4.601 12.244 -13.582 1.00 0.00 N ATOM 0 H GLN A 58 -1.463 9.642 -9.697 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.516 12.486 -9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.194 10.609 -11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.773 10.797 -10.794 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.853 13.447 -11.158 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.344 12.608 -12.611 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.778 11.942 -14.103 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.516 12.248 -14.032 1.00 0.00 H new ATOM 918 N SER A 59 -4.113 11.024 -8.344 1.00 0.00 N ATOM 919 CA SER A 59 -5.168 11.216 -7.364 1.00 0.00 C ATOM 920 C SER A 59 -4.562 11.583 -6.008 1.00 0.00 C ATOM 921 O SER A 59 -3.354 11.465 -5.811 1.00 0.00 O ATOM 922 CB SER A 59 -6.036 9.963 -7.235 1.00 0.00 C ATOM 923 OG SER A 59 -6.579 9.559 -8.489 1.00 0.00 O ATOM 0 H SER A 59 -4.140 10.127 -8.829 1.00 0.00 H new ATOM 0 HA SER A 59 -5.805 12.033 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.440 9.150 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.848 10.155 -6.533 1.00 0.00 H new ATOM 0 HG SER A 59 -7.125 8.755 -8.365 1.00 0.00 H new ATOM 929 N GLN A 60 -5.429 12.022 -5.107 1.00 0.00 N ATOM 930 CA GLN A 60 -4.995 12.407 -3.775 1.00 0.00 C ATOM 931 C GLN A 60 -5.987 11.902 -2.726 1.00 0.00 C ATOM 932 O GLN A 60 -6.045 12.429 -1.616 1.00 0.00 O ATOM 933 CB GLN A 60 -4.815 13.923 -3.674 1.00 0.00 C ATOM 934 CG GLN A 60 -3.645 14.395 -4.540 1.00 0.00 C ATOM 935 CD GLN A 60 -3.477 15.913 -4.455 1.00 0.00 C ATOM 936 OE1 GLN A 60 -2.534 16.428 -3.878 1.00 0.00 O ATOM 937 NE2 GLN A 60 -4.443 16.599 -5.060 1.00 0.00 N ATOM 0 H GLN A 60 -6.431 12.120 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.027 11.945 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.731 14.423 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.640 14.204 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.727 13.905 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.813 14.102 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.205 16.105 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.422 17.619 -5.059 1.00 0.00 H new ATOM 946 N GLU A 61 -6.744 10.885 -3.114 1.00 0.00 N ATOM 947 CA GLU A 61 -7.731 10.303 -2.221 1.00 0.00 C ATOM 948 C GLU A 61 -7.126 9.122 -1.458 1.00 0.00 C ATOM 949 O GLU A 61 -6.547 8.220 -2.061 1.00 0.00 O ATOM 950 CB GLU A 61 -8.982 9.875 -2.991 1.00 0.00 C ATOM 951 CG GLU A 61 -10.239 10.503 -2.386 1.00 0.00 C ATOM 952 CD GLU A 61 -10.726 9.702 -1.178 1.00 0.00 C ATOM 953 OE1 GLU A 61 -10.149 8.617 -0.946 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.665 10.191 -0.513 1.00 0.00 O ATOM 0 H GLU A 61 -6.693 10.450 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.031 11.062 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.890 10.172 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.070 8.789 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.028 11.529 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.026 10.547 -3.139 1.00 0.00 H new ATOM 961 N PRO A 62 -7.284 9.168 -0.108 1.00 0.00 N ATOM 962 CA PRO A 62 -6.760 8.114 0.743 1.00 0.00 C ATOM 963 C PRO A 62 -7.623 6.854 0.650 1.00 0.00 C ATOM 964 O PRO A 62 -8.851 6.938 0.636 1.00 0.00 O ATOM 965 CB PRO A 62 -6.733 8.713 2.140 1.00 0.00 C ATOM 966 CG PRO A 62 -7.671 9.909 2.099 1.00 0.00 C ATOM 967 CD PRO A 62 -7.964 10.221 0.641 1.00 0.00 C ATOM 0 HA PRO A 62 -5.764 7.789 0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.060 7.986 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.723 9.018 2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.594 9.689 2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.215 10.769 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.036 10.218 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.591 11.207 0.365 1.00 0.00 H new ATOM 975 N LEU A 63 -6.948 5.716 0.589 1.00 0.00 N ATOM 976 CA LEU A 63 -7.638 4.440 0.497 1.00 0.00 C ATOM 977 C LEU A 63 -7.924 3.918 1.906 1.00 0.00 C ATOM 978 O LEU A 63 -7.383 4.431 2.884 1.00 0.00 O ATOM 979 CB LEU A 63 -6.844 3.463 -0.371 1.00 0.00 C ATOM 980 CG LEU A 63 -6.296 4.025 -1.685 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.928 3.423 -2.010 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.296 3.825 -2.825 1.00 0.00 C ATOM 0 H LEU A 63 -5.930 5.650 0.601 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.600 4.562 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.007 3.084 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.483 2.611 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.155 5.099 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.561 3.839 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.227 3.659 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.020 2.341 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.883 4.233 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.492 2.761 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.227 4.339 -2.586 1.00 0.00 H new ATOM 994 N ASP A 64 -8.775 2.904 1.966 1.00 0.00 N ATOM 995 CA ASP A 64 -9.140 2.307 3.239 1.00 0.00 C ATOM 996 C ASP A 64 -8.321 1.032 3.453 1.00 0.00 C ATOM 997 O ASP A 64 -8.607 -0.002 2.852 1.00 0.00 O ATOM 998 CB ASP A 64 -10.622 1.926 3.264 1.00 0.00 C ATOM 999 CG ASP A 64 -11.500 2.804 4.158 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -10.916 3.640 4.881 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.734 2.620 4.098 1.00 0.00 O ATOM 0 H ASP A 64 -9.222 2.481 1.153 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.942 3.038 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.010 1.968 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.710 0.892 3.597 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.317 1.149 4.310 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.455 0.019 4.611 1.00 0.00 C ATOM 1008 C LEU A 65 -7.317 -1.202 4.940 1.00 0.00 C ATOM 1009 O LEU A 65 -7.055 -2.300 4.452 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.459 0.384 5.714 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.572 1.601 5.441 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.005 2.168 6.744 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.470 1.262 4.436 1.00 0.00 C ATOM 0 H LEU A 65 -7.081 2.009 4.805 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.851 -0.242 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.016 0.564 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.815 -0.477 5.894 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.188 2.380 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.378 3.032 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.824 2.472 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.408 1.405 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.854 2.144 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.849 0.460 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.920 0.941 3.497 1.00 0.00 H new ATOM 1025 N THR A 66 -8.327 -0.968 5.765 1.00 0.00 N ATOM 1026 CA THR A 66 -9.228 -2.035 6.165 1.00 0.00 C ATOM 1027 C THR A 66 -9.595 -2.903 4.959 1.00 0.00 C ATOM 1028 O THR A 66 -9.607 -4.130 5.054 1.00 0.00 O ATOM 1029 CB THR A 66 -10.441 -1.399 6.846 1.00 0.00 C ATOM 1030 OG1 THR A 66 -10.721 -0.248 6.053 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.106 -0.828 8.225 1.00 0.00 C ATOM 0 H THR A 66 -8.541 -0.055 6.167 1.00 0.00 H new ATOM 0 HA THR A 66 -8.752 -2.708 6.878 1.00 0.00 H new ATOM 0 HB THR A 66 -11.233 -2.142 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.496 0.224 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.002 -0.389 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.740 -1.626 8.870 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.338 -0.061 8.125 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.884 -2.233 3.854 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.250 -2.928 2.631 1.00 0.00 C ATOM 1041 C LYS A 67 -9.010 -3.607 2.045 1.00 0.00 C ATOM 1042 O LYS A 67 -7.885 -3.289 2.427 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.945 -1.973 1.659 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.123 -1.267 2.332 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.456 -1.856 1.864 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.197 -2.526 3.023 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.647 -2.245 2.942 1.00 0.00 N ATOM 0 H LYS A 67 -9.872 -1.216 3.779 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.975 -3.714 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.231 -1.233 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.297 -2.527 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.039 -1.363 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.092 -0.202 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.077 -1.067 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.278 -2.584 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.027 -3.602 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.803 -2.164 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.135 -2.707 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.805 -1.218 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.022 -2.612 2.044 1.00 0.00 H new ATOM 1061 N SER A 68 -9.258 -4.531 1.128 1.00 0.00 N ATOM 1062 CA SER A 68 -8.176 -5.257 0.486 1.00 0.00 C ATOM 1063 C SER A 68 -8.122 -4.908 -1.003 1.00 0.00 C ATOM 1064 O SER A 68 -9.035 -4.273 -1.528 1.00 0.00 O ATOM 1065 CB SER A 68 -8.340 -6.767 0.672 1.00 0.00 C ATOM 1066 OG SER A 68 -9.706 -7.167 0.612 1.00 0.00 O ATOM 0 H SER A 68 -10.193 -4.793 0.815 1.00 0.00 H new ATOM 0 HA SER A 68 -7.239 -4.960 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.775 -7.291 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.918 -7.062 1.633 1.00 0.00 H new ATOM 0 HG SER A 68 -9.768 -8.137 0.733 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.043 -5.338 -1.640 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.858 -5.079 -3.058 1.00 0.00 C ATOM 1074 C LEU A 69 -8.053 -5.637 -3.834 1.00 0.00 C ATOM 1075 O LEU A 69 -8.428 -5.099 -4.874 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.509 -5.624 -3.531 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.272 -4.862 -3.050 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.179 -3.490 -3.720 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.251 -4.758 -1.524 1.00 0.00 C ATOM 0 H LEU A 69 -6.288 -5.864 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.826 -4.006 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.423 -6.660 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.505 -5.633 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.387 -5.425 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.291 -2.969 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.113 -3.617 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.066 -2.905 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.362 -4.212 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.141 -4.229 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.235 -5.758 -1.091 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.618 -6.709 -3.297 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.762 -7.345 -3.926 1.00 0.00 C ATOM 1093 C ASN A 70 -11.002 -6.471 -3.725 1.00 0.00 C ATOM 1094 O ASN A 70 -11.682 -6.120 -4.688 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.043 -8.714 -3.303 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.638 -9.843 -4.253 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -9.690 -9.717 -5.466 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.232 -10.949 -3.637 1.00 0.00 N ATOM 0 H ASN A 70 -8.304 -7.152 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.537 -7.470 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.496 -8.810 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.103 -8.798 -3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.940 -11.759 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.213 -10.987 -2.618 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.258 -6.145 -2.466 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.403 -5.318 -2.126 1.00 0.00 C ATOM 1107 C ASP A 71 -12.326 -4.002 -2.902 1.00 0.00 C ATOM 1108 O ASP A 71 -13.311 -3.570 -3.498 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.418 -4.986 -0.632 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.811 -4.874 -0.009 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.591 -4.035 -0.509 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -14.064 -5.630 0.954 1.00 0.00 O ATOM 0 H ASP A 71 -10.692 -6.439 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.306 -5.872 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.859 -5.755 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.891 -4.044 -0.479 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.145 -3.402 -2.870 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.926 -2.144 -3.564 1.00 0.00 C ATOM 1119 C LEU A 72 -11.035 -2.373 -5.073 1.00 0.00 C ATOM 1120 O LEU A 72 -11.824 -1.715 -5.749 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.600 -1.517 -3.130 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.527 -1.037 -1.679 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.076 -0.961 -1.199 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.259 0.294 -1.505 1.00 0.00 C ATOM 0 H LEU A 72 -10.330 -3.763 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.696 -1.421 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.806 -2.247 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.391 -0.670 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.036 -1.768 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.052 -0.617 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.619 -1.949 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.521 -0.263 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.192 0.613 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.801 1.048 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.307 0.172 -1.780 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.230 -3.308 -5.556 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.226 -3.631 -6.973 1.00 0.00 C ATOM 1138 C GLY A 73 -9.129 -2.859 -7.708 1.00 0.00 C ATOM 1139 O GLY A 73 -9.187 -2.700 -8.927 1.00 0.00 O ATOM 0 H GLY A 73 -9.577 -3.852 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.073 -4.702 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.197 -3.392 -7.407 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.154 -2.399 -6.937 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.046 -1.647 -7.500 1.00 0.00 C ATOM 1145 C LEU A 74 -5.807 -2.543 -7.561 1.00 0.00 C ATOM 1146 O LEU A 74 -5.586 -3.365 -6.673 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.828 -0.349 -6.720 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.014 0.617 -6.682 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.730 1.797 -5.750 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.392 1.078 -8.091 1.00 0.00 C ATOM 0 H LEU A 74 -8.109 -2.533 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.272 -1.343 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.560 -0.605 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.974 0.172 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.874 0.085 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.589 2.468 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.548 1.428 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.851 2.336 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.238 1.764 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.543 1.586 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.666 0.213 -8.696 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.031 -2.353 -8.618 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.820 -3.133 -8.807 1.00 0.00 C ATOM 1164 C ARG A 75 -2.585 -2.245 -8.644 1.00 0.00 C ATOM 1165 O ARG A 75 -1.495 -2.602 -9.090 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.793 -3.782 -10.193 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.337 -5.212 -10.139 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.221 -6.211 -9.825 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.845 -6.950 -11.051 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.667 -7.775 -11.713 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.918 -7.970 -11.272 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.240 -8.404 -12.816 1.00 0.00 N ATOM 0 H ARG A 75 -5.217 -1.670 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.810 -3.917 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.387 -3.189 -10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.772 -3.792 -10.574 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.116 -5.280 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.799 -5.465 -11.093 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.353 -5.686 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.552 -6.909 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.901 -6.823 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.244 -7.490 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.544 -8.598 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.289 -8.255 -13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.866 -9.032 -13.320 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.797 -1.104 -8.005 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.714 -0.161 -7.777 1.00 0.00 C ATOM 1188 C GLU A 76 -2.113 0.857 -6.708 1.00 0.00 C ATOM 1189 O GLU A 76 -3.299 1.058 -6.448 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.314 0.538 -9.078 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.386 1.537 -9.516 1.00 0.00 C ATOM 1192 CD GLU A 76 -2.944 1.174 -10.893 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.892 -0.029 -11.228 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -3.412 2.108 -11.580 1.00 0.00 O ATOM 0 H GLU A 76 -3.702 -0.811 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.846 -0.714 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.365 1.055 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.162 -0.204 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.194 1.552 -8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.963 2.541 -9.544 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.101 1.474 -6.116 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.331 2.467 -5.081 1.00 0.00 C ATOM 1203 C LEU A 77 -0.100 3.367 -4.960 1.00 0.00 C ATOM 1204 O LEU A 77 0.949 3.069 -5.529 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.729 1.790 -3.768 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.884 0.584 -3.353 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.174 0.843 -2.023 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.730 -0.690 -3.312 1.00 0.00 C ATOM 0 H LEU A 77 -0.119 1.305 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.170 3.109 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.683 2.532 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.768 1.471 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.111 0.433 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.420 -0.030 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.480 1.710 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.915 1.034 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.105 -1.532 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.539 -0.566 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.149 -0.880 -4.300 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.268 4.450 -4.216 1.00 0.00 N ATOM 1221 CA TYR A 78 0.816 5.396 -4.014 1.00 0.00 C ATOM 1222 C TYR A 78 1.117 5.575 -2.524 1.00 0.00 C ATOM 1223 O TYR A 78 0.207 5.547 -1.696 1.00 0.00 O ATOM 1224 CB TYR A 78 0.327 6.727 -4.587 1.00 0.00 C ATOM 1225 CG TYR A 78 1.261 7.906 -4.306 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.447 8.028 -5.001 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.918 8.847 -3.357 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.326 9.138 -4.737 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.797 9.957 -3.092 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.958 10.047 -3.795 1.00 0.00 C ATOM 1231 OH TYR A 78 3.788 11.095 -3.545 1.00 0.00 O ATOM 0 H TYR A 78 -1.139 4.694 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 78 1.728 5.043 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.204 6.623 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.657 6.949 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.716 7.291 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.010 8.751 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.256 9.246 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.540 10.701 -2.352 1.00 0.00 H new ATOM 0 HH TYR A 78 3.396 11.664 -2.850 1.00 0.00 H new ATOM 1241 N ALA A 79 2.396 5.755 -2.229 1.00 0.00 N ATOM 1242 CA ALA A 79 2.827 5.938 -0.853 1.00 0.00 C ATOM 1243 C ALA A 79 3.198 7.406 -0.631 1.00 0.00 C ATOM 1244 O ALA A 79 4.183 7.892 -1.185 1.00 0.00 O ATOM 1245 CB ALA A 79 3.991 4.991 -0.553 1.00 0.00 C ATOM 0 H ALA A 79 3.147 5.778 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 79 2.021 5.693 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.315 5.128 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.668 3.960 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.821 5.210 -1.225 1.00 0.00 H new ATOM 1251 N MET A 80 2.389 8.071 0.180 1.00 0.00 N ATOM 1252 CA MET A 80 2.619 9.474 0.482 1.00 0.00 C ATOM 1253 C MET A 80 3.329 9.635 1.828 1.00 0.00 C ATOM 1254 O MET A 80 3.062 8.889 2.768 1.00 0.00 O ATOM 1255 CB MET A 80 1.281 10.215 0.519 1.00 0.00 C ATOM 1256 CG MET A 80 1.479 11.685 0.892 1.00 0.00 C ATOM 1257 SD MET A 80 -0.069 12.392 1.432 1.00 0.00 S ATOM 1258 CE MET A 80 -0.992 12.321 -0.094 1.00 0.00 C ATOM 0 H MET A 80 1.573 7.664 0.638 1.00 0.00 H new ATOM 0 HA MET A 80 3.255 9.894 -0.297 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.796 10.145 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.617 9.739 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.223 11.771 1.684 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.861 12.238 0.034 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.426 13.299 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.326 12.038 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.789 11.583 -0.003 1.00 0.00 H new ATOM 1268 N ASP A 81 4.221 10.614 1.876 1.00 0.00 N ATOM 1269 CA ASP A 81 4.972 10.883 3.091 1.00 0.00 C ATOM 1270 C ASP A 81 4.347 12.075 3.818 1.00 0.00 C ATOM 1271 O ASP A 81 4.598 13.226 3.462 1.00 0.00 O ATOM 1272 CB ASP A 81 6.427 11.234 2.772 1.00 0.00 C ATOM 1273 CG ASP A 81 7.467 10.293 3.385 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.278 9.931 4.566 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.427 9.959 2.657 1.00 0.00 O ATOM 0 H ASP A 81 4.440 11.230 1.093 1.00 0.00 H new ATOM 0 HA ASP A 81 4.944 9.987 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.555 11.238 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.626 12.248 3.120 1.00 0.00 H new