USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -19:sc= 0.779 USER MOD Single : A 16 ASN : amide:sc= -3.1 K(o=-3.1,f=-5!) 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= -0.571 K(o=-0.57,f=-5.8!) 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 32 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 34 GLN : amide:sc= -0.0248 K(o=-0.025,f=-0.68) USER MOD Single : A 41 CYS SG : rot 97:sc= -6.91! 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 -130:sc= -5.62! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.0393 F(o=-1.2,f=-0.039) USER MOD Single : A 51 THR OG1 : rot 99:sc= 0.964 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= -1.03 K(o=-1,f=-1.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0265 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=-0.00804 X(o=-0.008,f=-0.019) USER MOD Single : A 78 TYR OH : rot 80:sc= -3.48 USER MOD Single : A 80 MET CE :methyl -164:sc= 0 (180deg=-0.47) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.252 -14.902 -4.831 1.00 0.00 N ATOM 104 CA THR A 10 0.459 -13.467 -4.745 1.00 0.00 C ATOM 105 C THR A 10 0.308 -12.822 -6.124 1.00 0.00 C ATOM 106 O THR A 10 0.549 -13.466 -7.144 1.00 0.00 O ATOM 107 CB THR A 10 1.829 -13.224 -4.108 1.00 0.00 C ATOM 108 OG1 THR A 10 2.653 -14.250 -4.655 1.00 0.00 O ATOM 109 CG2 THR A 10 1.834 -13.505 -2.604 1.00 0.00 C ATOM 0 HA THR A 10 -0.297 -12.996 -4.116 1.00 0.00 H new ATOM 0 HB THR A 10 2.134 -12.193 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.089 -14.970 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.830 -13.317 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.114 -12.853 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.562 -14.546 -2.427 1.00 0.00 H new ATOM 117 N VAL A 11 -0.092 -11.559 -6.111 1.00 0.00 N ATOM 118 CA VAL A 11 -0.278 -10.820 -7.348 1.00 0.00 C ATOM 119 C VAL A 11 0.746 -9.686 -7.419 1.00 0.00 C ATOM 120 O VAL A 11 1.313 -9.292 -6.401 1.00 0.00 O ATOM 121 CB VAL A 11 -1.723 -10.328 -7.451 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.705 -11.502 -7.426 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.041 -9.324 -6.341 1.00 0.00 C ATOM 0 H VAL A 11 -0.292 -11.029 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.107 -11.467 -8.209 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.835 -9.817 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.725 -11.125 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.501 -12.165 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.589 -12.053 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.074 -8.990 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.902 -9.799 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.373 -8.466 -6.424 1.00 0.00 H new ATOM 133 N ARG A 12 0.952 -9.192 -8.632 1.00 0.00 N ATOM 134 CA ARG A 12 1.898 -8.111 -8.849 1.00 0.00 C ATOM 135 C ARG A 12 1.217 -6.758 -8.630 1.00 0.00 C ATOM 136 O ARG A 12 0.300 -6.395 -9.365 1.00 0.00 O ATOM 137 CB ARG A 12 2.475 -8.161 -10.265 1.00 0.00 C ATOM 138 CG ARG A 12 1.439 -7.709 -11.296 1.00 0.00 C ATOM 139 CD ARG A 12 1.707 -8.350 -12.659 1.00 0.00 C ATOM 140 NE ARG A 12 1.503 -9.814 -12.580 1.00 0.00 N ATOM 141 CZ ARG A 12 1.510 -10.632 -13.641 1.00 0.00 C ATOM 142 NH1 ARG A 12 1.710 -10.135 -14.869 1.00 0.00 N ATOM 143 NH2 ARG A 12 1.316 -11.947 -13.474 1.00 0.00 N ATOM 0 H ARG A 12 0.480 -9.521 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 12 2.711 -8.232 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.356 -7.522 -10.325 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.801 -9.176 -10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.439 -7.977 -10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.463 -6.623 -11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.041 -7.922 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.727 -8.133 -12.978 1.00 0.00 H new ATOM 0 HE ARG A 12 1.347 -10.226 -11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.857 -9.134 -14.996 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.715 -10.758 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.163 -12.325 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.321 -12.570 -14.282 1.00 0.00 H new ATOM 157 N VAL A 13 1.693 -6.049 -7.617 1.00 0.00 N ATOM 158 CA VAL A 13 1.141 -4.745 -7.292 1.00 0.00 C ATOM 159 C VAL A 13 2.238 -3.686 -7.424 1.00 0.00 C ATOM 160 O VAL A 13 3.335 -3.854 -6.894 1.00 0.00 O ATOM 161 CB VAL A 13 0.505 -4.777 -5.901 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.076 -3.376 -5.462 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.675 -5.750 -5.861 1.00 0.00 C ATOM 0 H VAL A 13 2.455 -6.353 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 13 0.347 -4.481 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 13 1.257 -5.133 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.373 -3.427 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.947 -2.721 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.652 -2.980 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.109 -5.754 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.429 -5.437 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.328 -6.753 -6.110 1.00 0.00 H new ATOM 173 N VAL A 14 1.903 -2.618 -8.134 1.00 0.00 N ATOM 174 CA VAL A 14 2.845 -1.532 -8.342 1.00 0.00 C ATOM 175 C VAL A 14 2.699 -0.512 -7.210 1.00 0.00 C ATOM 176 O VAL A 14 1.584 -0.145 -6.841 1.00 0.00 O ATOM 177 CB VAL A 14 2.640 -0.920 -9.729 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.606 0.244 -9.963 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.782 -1.980 -10.823 1.00 0.00 C ATOM 0 H VAL A 14 0.992 -2.482 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 14 3.869 -1.904 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 14 1.625 -0.527 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.439 0.661 -10.956 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.435 1.015 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.633 -0.114 -9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.632 -1.518 -11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.779 -2.418 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.036 -2.761 -10.672 1.00 0.00 H new ATOM 189 N ILE A 15 3.840 -0.084 -6.692 1.00 0.00 N ATOM 190 CA ILE A 15 3.853 0.886 -5.610 1.00 0.00 C ATOM 191 C ILE A 15 4.449 2.201 -6.117 1.00 0.00 C ATOM 192 O ILE A 15 5.655 2.293 -6.344 1.00 0.00 O ATOM 193 CB ILE A 15 4.574 0.315 -4.387 1.00 0.00 C ATOM 194 CG1 ILE A 15 3.997 -1.047 -3.996 1.00 0.00 C ATOM 195 CG2 ILE A 15 4.545 1.306 -3.221 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.659 -0.888 -3.271 1.00 0.00 C ATOM 0 H ILE A 15 4.762 -0.391 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 15 2.837 1.102 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 15 5.620 0.158 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.861 -1.658 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.702 -1.574 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.064 0.876 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.039 2.231 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.511 1.518 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.271 -1.871 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.803 -0.297 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.949 -0.383 -3.925 1.00 0.00 H new ATOM 208 N ASN A 16 3.577 3.185 -6.279 1.00 0.00 N ATOM 209 CA ASN A 16 4.002 4.490 -6.755 1.00 0.00 C ATOM 210 C ASN A 16 4.536 5.309 -5.577 1.00 0.00 C ATOM 211 O ASN A 16 3.792 5.625 -4.650 1.00 0.00 O ATOM 212 CB ASN A 16 2.833 5.259 -7.374 1.00 0.00 C ATOM 213 CG ASN A 16 1.773 4.299 -7.918 1.00 0.00 C ATOM 214 OD1 ASN A 16 0.610 4.345 -7.552 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.238 3.429 -8.811 1.00 0.00 N ATOM 0 H ASN A 16 2.578 3.105 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 16 4.773 4.338 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.386 5.914 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.198 5.897 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.609 2.746 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.224 3.445 -9.073 1.00 0.00 H new ATOM 222 N PHE A 17 5.819 5.628 -5.653 1.00 0.00 N ATOM 223 CA PHE A 17 6.460 6.404 -4.605 1.00 0.00 C ATOM 224 C PHE A 17 7.515 7.347 -5.188 1.00 0.00 C ATOM 225 O PHE A 17 7.941 7.178 -6.330 1.00 0.00 O ATOM 226 CB PHE A 17 7.146 5.408 -3.668 1.00 0.00 C ATOM 227 CG PHE A 17 8.436 4.809 -4.232 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.620 5.453 -4.051 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.399 3.633 -4.913 1.00 0.00 C ATOM 230 CE1 PHE A 17 10.818 4.898 -4.575 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.596 3.077 -5.437 1.00 0.00 C ATOM 232 CZ PHE A 17 10.780 3.722 -5.257 1.00 0.00 C ATOM 0 H PHE A 17 6.432 5.363 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 17 5.719 7.010 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.371 5.907 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.451 4.600 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.649 6.387 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.459 3.121 -5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.758 5.410 -4.432 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.566 2.143 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.691 3.300 -5.656 1.00 0.00 H new ATOM 242 N LYS A 18 7.906 8.319 -4.377 1.00 0.00 N ATOM 243 CA LYS A 18 8.903 9.289 -4.798 1.00 0.00 C ATOM 244 C LYS A 18 8.282 10.240 -5.823 1.00 0.00 C ATOM 245 O LYS A 18 8.972 11.087 -6.388 1.00 0.00 O ATOM 246 CB LYS A 18 10.161 8.580 -5.302 1.00 0.00 C ATOM 247 CG LYS A 18 11.297 8.688 -4.282 1.00 0.00 C ATOM 248 CD LYS A 18 12.659 8.519 -4.958 1.00 0.00 C ATOM 249 CE LYS A 18 13.605 7.691 -4.086 1.00 0.00 C ATOM 250 NZ LYS A 18 14.779 8.497 -3.685 1.00 0.00 N ATOM 0 H LYS A 18 7.551 8.456 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 18 9.224 9.896 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.939 7.530 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.475 9.018 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.252 9.656 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.172 7.927 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.531 8.033 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.098 9.498 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.078 7.340 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.933 6.807 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.411 7.920 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.291 8.811 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.462 9.327 -3.145 1.00 0.00 H new ATOM 264 N LYS A 19 6.984 10.069 -6.032 1.00 0.00 N ATOM 265 CA LYS A 19 6.262 10.902 -6.978 1.00 0.00 C ATOM 266 C LYS A 19 6.919 10.789 -8.355 1.00 0.00 C ATOM 267 O LYS A 19 7.097 11.790 -9.047 1.00 0.00 O ATOM 268 CB LYS A 19 6.163 12.338 -6.461 1.00 0.00 C ATOM 269 CG LYS A 19 4.906 12.528 -5.608 1.00 0.00 C ATOM 270 CD LYS A 19 4.413 13.975 -5.673 1.00 0.00 C ATOM 271 CE LYS A 19 2.975 14.087 -5.162 1.00 0.00 C ATOM 272 NZ LYS A 19 2.794 15.342 -4.398 1.00 0.00 N ATOM 0 H LYS A 19 6.414 9.366 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 19 5.234 10.554 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.047 12.578 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.144 13.031 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.121 11.857 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.120 12.259 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.066 14.613 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.467 14.336 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.281 14.062 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.740 13.231 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.813 15.403 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.443 15.351 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.998 16.155 -5.013 1.00 0.00 H new ATOM 286 N THR A 20 7.263 9.560 -8.713 1.00 0.00 N ATOM 287 CA THR A 20 7.896 9.302 -9.995 1.00 0.00 C ATOM 288 C THR A 20 8.370 7.850 -10.073 1.00 0.00 C ATOM 289 O THR A 20 8.154 7.176 -11.079 1.00 0.00 O ATOM 290 CB THR A 20 9.023 10.321 -10.178 1.00 0.00 C ATOM 291 OG1 THR A 20 10.006 9.618 -10.934 1.00 0.00 O ATOM 292 CG2 THR A 20 9.732 10.652 -8.863 1.00 0.00 C ATOM 0 H THR A 20 7.115 8.732 -8.137 1.00 0.00 H new ATOM 0 HA THR A 20 7.191 9.424 -10.817 1.00 0.00 H new ATOM 0 HB THR A 20 8.619 11.235 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.773 10.205 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.522 11.379 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.014 11.069 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.166 9.744 -8.445 1.00 0.00 H new ATOM 300 N GLN A 21 9.009 7.411 -8.999 1.00 0.00 N ATOM 301 CA GLN A 21 9.515 6.050 -8.933 1.00 0.00 C ATOM 302 C GLN A 21 8.387 5.080 -8.578 1.00 0.00 C ATOM 303 O GLN A 21 7.423 5.459 -7.914 1.00 0.00 O ATOM 304 CB GLN A 21 10.667 5.942 -7.932 1.00 0.00 C ATOM 305 CG GLN A 21 11.819 6.871 -8.319 1.00 0.00 C ATOM 306 CD GLN A 21 13.172 6.203 -8.061 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.733 6.277 -6.980 1.00 0.00 O ATOM 308 NE2 GLN A 21 13.662 5.549 -9.110 1.00 0.00 N ATOM 0 H GLN A 21 9.188 7.973 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 21 9.903 5.780 -9.915 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.311 6.195 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.023 4.913 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.737 7.139 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.752 7.797 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.140 5.527 -9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.559 5.070 -9.038 1.00 0.00 H new ATOM 317 N LYS A 22 8.544 3.847 -9.037 1.00 0.00 N ATOM 318 CA LYS A 22 7.550 2.819 -8.776 1.00 0.00 C ATOM 319 C LYS A 22 8.250 1.469 -8.611 1.00 0.00 C ATOM 320 O LYS A 22 9.357 1.274 -9.111 1.00 0.00 O ATOM 321 CB LYS A 22 6.475 2.825 -9.865 1.00 0.00 C ATOM 322 CG LYS A 22 7.079 3.155 -11.231 1.00 0.00 C ATOM 323 CD LYS A 22 6.554 2.203 -12.307 1.00 0.00 C ATOM 324 CE LYS A 22 7.680 1.329 -12.862 1.00 0.00 C ATOM 325 NZ LYS A 22 7.945 1.662 -14.280 1.00 0.00 N ATOM 0 H LYS A 22 9.344 3.537 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 22 7.027 3.023 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.988 1.851 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.706 3.556 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.837 4.183 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.166 3.086 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.771 1.571 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.102 2.777 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.585 1.475 -12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.409 0.277 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.712 1.059 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.085 1.500 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.225 2.661 -14.356 1.00 0.00 H new ATOM 339 N THR A 23 7.576 0.572 -7.907 1.00 0.00 N ATOM 340 CA THR A 23 8.120 -0.755 -7.669 1.00 0.00 C ATOM 341 C THR A 23 6.991 -1.781 -7.555 1.00 0.00 C ATOM 342 O THR A 23 5.960 -1.510 -6.941 1.00 0.00 O ATOM 343 CB THR A 23 9.007 -0.686 -6.424 1.00 0.00 C ATOM 344 OG1 THR A 23 9.696 -1.933 -6.420 1.00 0.00 O ATOM 345 CG2 THR A 23 8.197 -0.704 -5.126 1.00 0.00 C ATOM 0 H THR A 23 6.658 0.737 -7.494 1.00 0.00 H new ATOM 0 HA THR A 23 8.735 -1.087 -8.506 1.00 0.00 H new ATOM 0 HB THR A 23 9.614 0.219 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.296 -1.973 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.874 -0.653 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.523 0.153 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.615 -1.624 -5.073 1.00 0.00 H new ATOM 353 N ILE A 24 7.224 -2.939 -8.155 1.00 0.00 N ATOM 354 CA ILE A 24 6.240 -4.007 -8.129 1.00 0.00 C ATOM 355 C ILE A 24 6.633 -5.031 -7.062 1.00 0.00 C ATOM 356 O ILE A 24 7.818 -5.246 -6.809 1.00 0.00 O ATOM 357 CB ILE A 24 6.066 -4.610 -9.524 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.525 -3.570 -10.507 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.189 -5.863 -9.475 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.820 -4.244 -11.686 1.00 0.00 C ATOM 0 H ILE A 24 8.081 -3.161 -8.662 1.00 0.00 H new ATOM 0 HA ILE A 24 5.261 -3.616 -7.852 1.00 0.00 H new ATOM 0 HB ILE A 24 7.046 -4.918 -9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.829 -2.907 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.344 -2.951 -10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.082 -6.271 -10.480 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.654 -6.607 -8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.206 -5.604 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.445 -3.482 -12.369 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.525 -4.888 -12.212 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.987 -4.843 -11.318 1.00 0.00 H new ATOM 372 N VAL A 25 5.617 -5.635 -6.464 1.00 0.00 N ATOM 373 CA VAL A 25 5.841 -6.631 -5.430 1.00 0.00 C ATOM 374 C VAL A 25 4.758 -7.707 -5.521 1.00 0.00 C ATOM 375 O VAL A 25 3.656 -7.445 -6.000 1.00 0.00 O ATOM 376 CB VAL A 25 5.899 -5.956 -4.058 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.998 -4.892 -4.016 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.542 -5.358 -3.683 1.00 0.00 C ATOM 0 H VAL A 25 4.636 -5.454 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 25 6.802 -7.124 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 25 6.144 -6.719 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.018 -4.428 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.963 -5.357 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.797 -4.132 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.611 -4.885 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.254 -4.614 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.792 -6.148 -3.652 1.00 0.00 H new ATOM 388 N ARG A 26 5.110 -8.896 -5.053 1.00 0.00 N ATOM 389 CA ARG A 26 4.181 -10.014 -5.076 1.00 0.00 C ATOM 390 C ARG A 26 3.685 -10.320 -3.661 1.00 0.00 C ATOM 391 O ARG A 26 4.432 -10.845 -2.837 1.00 0.00 O ATOM 392 CB ARG A 26 4.840 -11.265 -5.660 1.00 0.00 C ATOM 393 CG ARG A 26 4.182 -11.664 -6.982 1.00 0.00 C ATOM 394 CD ARG A 26 5.211 -12.244 -7.954 1.00 0.00 C ATOM 395 NE ARG A 26 4.593 -13.316 -8.766 1.00 0.00 N ATOM 396 CZ ARG A 26 4.275 -14.529 -8.292 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.515 -14.831 -7.009 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.718 -15.439 -9.102 1.00 0.00 N ATOM 0 H ARG A 26 6.025 -9.110 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 26 3.338 -9.733 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.902 -11.080 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.763 -12.087 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.399 -12.399 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.703 -10.794 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.592 -11.457 -8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.063 -12.640 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 26 4.397 -13.120 -9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.940 -14.138 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.273 -15.754 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.536 -15.209 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.476 -16.362 -8.742 1.00 0.00 H new ATOM 412 N VAL A 27 2.427 -9.979 -3.423 1.00 0.00 N ATOM 413 CA VAL A 27 1.822 -10.211 -2.123 1.00 0.00 C ATOM 414 C VAL A 27 0.400 -10.744 -2.314 1.00 0.00 C ATOM 415 O VAL A 27 -0.063 -10.895 -3.443 1.00 0.00 O ATOM 416 CB VAL A 27 1.873 -8.932 -1.286 1.00 0.00 C ATOM 417 CG1 VAL A 27 3.291 -8.667 -0.775 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.344 -7.735 -2.080 1.00 0.00 C ATOM 0 H VAL A 27 1.810 -9.544 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 27 2.381 -10.967 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 27 1.226 -9.073 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.299 -7.752 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.617 -9.503 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.968 -8.557 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.391 -6.839 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.953 -7.593 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.310 -7.920 -2.372 1.00 0.00 H new ATOM 428 N SER A 28 -0.253 -11.013 -1.193 1.00 0.00 N ATOM 429 CA SER A 28 -1.612 -11.525 -1.223 1.00 0.00 C ATOM 430 C SER A 28 -2.605 -10.367 -1.349 1.00 0.00 C ATOM 431 O SER A 28 -2.565 -9.422 -0.563 1.00 0.00 O ATOM 432 CB SER A 28 -1.917 -12.351 0.028 1.00 0.00 C ATOM 433 OG SER A 28 -2.334 -13.675 -0.295 1.00 0.00 O ATOM 0 H SER A 28 0.134 -10.886 -0.258 1.00 0.00 H new ATOM 0 HA SER A 28 -1.712 -12.178 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.029 -12.394 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.697 -11.857 0.608 1.00 0.00 H new ATOM 0 HG SER A 28 -2.517 -14.171 0.530 1.00 0.00 H new ATOM 439 N PRO A 29 -3.494 -10.482 -2.371 1.00 0.00 N ATOM 440 CA PRO A 29 -4.496 -9.457 -2.611 1.00 0.00 C ATOM 441 C PRO A 29 -5.620 -9.537 -1.576 1.00 0.00 C ATOM 442 O PRO A 29 -6.475 -8.654 -1.514 1.00 0.00 O ATOM 443 CB PRO A 29 -4.977 -9.701 -4.032 1.00 0.00 C ATOM 444 CG PRO A 29 -4.571 -11.126 -4.370 1.00 0.00 C ATOM 445 CD PRO A 29 -3.571 -11.587 -3.322 1.00 0.00 C ATOM 0 HA PRO A 29 -4.098 -8.447 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.057 -9.575 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.525 -8.991 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.443 -11.780 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.129 -11.171 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.902 -12.505 -2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.598 -11.795 -3.767 1.00 0.00 H new ATOM 453 N HIS A 30 -5.584 -10.603 -0.790 1.00 0.00 N ATOM 454 CA HIS A 30 -6.589 -10.809 0.238 1.00 0.00 C ATOM 455 C HIS A 30 -6.287 -9.910 1.439 1.00 0.00 C ATOM 456 O HIS A 30 -7.075 -9.026 1.771 1.00 0.00 O ATOM 457 CB HIS A 30 -6.685 -12.289 0.614 1.00 0.00 C ATOM 458 CG HIS A 30 -6.949 -13.205 -0.557 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.196 -13.330 -1.145 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.114 -14.037 -1.243 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.104 -14.201 -2.139 1.00 0.00 C ATOM 462 NE2 HIS A 30 -6.813 -14.639 -2.198 1.00 0.00 N ATOM 0 H HIS A 30 -4.874 -11.333 -0.845 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.570 -10.527 -0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.756 -12.592 1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.481 -12.416 1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.063 -14.182 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.909 -14.510 -2.789 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.446 -15.317 -2.866 1.00 0.00 H new ATOM 470 N ALA A 31 -5.144 -10.168 2.058 1.00 0.00 N ATOM 471 CA ALA A 31 -4.729 -9.394 3.215 1.00 0.00 C ATOM 472 C ALA A 31 -5.052 -7.917 2.977 1.00 0.00 C ATOM 473 O ALA A 31 -5.031 -7.448 1.841 1.00 0.00 O ATOM 474 CB ALA A 31 -3.240 -9.629 3.479 1.00 0.00 C ATOM 0 H ALA A 31 -4.493 -10.902 1.780 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.273 -9.712 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.928 -9.048 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.067 -10.688 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.663 -9.318 2.608 1.00 0.00 H new ATOM 480 N SER A 32 -5.344 -7.226 4.069 1.00 0.00 N ATOM 481 CA SER A 32 -5.672 -5.812 3.994 1.00 0.00 C ATOM 482 C SER A 32 -4.389 -4.979 3.944 1.00 0.00 C ATOM 483 O SER A 32 -3.362 -5.381 4.489 1.00 0.00 O ATOM 484 CB SER A 32 -6.537 -5.383 5.182 1.00 0.00 C ATOM 485 OG SER A 32 -7.126 -6.499 5.843 1.00 0.00 O ATOM 0 H SER A 32 -5.360 -7.619 5.010 1.00 0.00 H new ATOM 0 HA SER A 32 -6.244 -5.642 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.928 -4.822 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.322 -4.711 4.835 1.00 0.00 H new ATOM 0 HG SER A 32 -7.669 -6.184 6.596 1.00 0.00 H new ATOM 491 N LEU A 33 -4.491 -3.834 3.285 1.00 0.00 N ATOM 492 CA LEU A 33 -3.351 -2.942 3.157 1.00 0.00 C ATOM 493 C LEU A 33 -2.717 -2.730 4.533 1.00 0.00 C ATOM 494 O LEU A 33 -1.504 -2.559 4.641 1.00 0.00 O ATOM 495 CB LEU A 33 -3.765 -1.642 2.463 1.00 0.00 C ATOM 496 CG LEU A 33 -3.870 -1.700 0.938 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.463 -0.404 0.380 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.516 -2.029 0.307 1.00 0.00 C ATOM 0 H LEU A 33 -5.344 -3.504 2.835 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.587 -3.388 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.731 -1.332 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.046 -0.867 2.729 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.553 -2.507 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.527 -0.471 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.460 -0.253 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.825 0.436 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.619 -2.064 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.792 -1.261 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.171 -2.997 0.670 1.00 0.00 H new ATOM 510 N GLN A 34 -3.566 -2.748 5.550 1.00 0.00 N ATOM 511 CA GLN A 34 -3.104 -2.560 6.914 1.00 0.00 C ATOM 512 C GLN A 34 -1.998 -3.565 7.243 1.00 0.00 C ATOM 513 O GLN A 34 -1.067 -3.248 7.981 1.00 0.00 O ATOM 514 CB GLN A 34 -4.263 -2.675 7.906 1.00 0.00 C ATOM 515 CG GLN A 34 -3.754 -3.025 9.306 1.00 0.00 C ATOM 516 CD GLN A 34 -4.819 -2.734 10.366 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.517 -1.734 10.323 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.903 -3.661 11.316 1.00 0.00 N ATOM 0 H GLN A 34 -4.572 -2.890 5.456 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.692 -1.555 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.812 -1.734 7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.962 -3.440 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.477 -4.079 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.853 -2.451 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.288 -4.474 11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.583 -3.559 12.069 1.00 0.00 H new ATOM 527 N GLU A 35 -2.139 -4.756 6.680 1.00 0.00 N ATOM 528 CA GLU A 35 -1.163 -5.809 6.904 1.00 0.00 C ATOM 529 C GLU A 35 -0.065 -5.751 5.840 1.00 0.00 C ATOM 530 O GLU A 35 1.049 -6.221 6.067 1.00 0.00 O ATOM 531 CB GLU A 35 -1.835 -7.183 6.924 1.00 0.00 C ATOM 532 CG GLU A 35 -2.362 -7.516 8.322 1.00 0.00 C ATOM 533 CD GLU A 35 -3.847 -7.169 8.445 1.00 0.00 C ATOM 534 OE1 GLU A 35 -4.181 -5.998 8.163 1.00 0.00 O ATOM 535 OE2 GLU A 35 -4.614 -8.082 8.819 1.00 0.00 O ATOM 0 H GLU A 35 -2.914 -5.015 6.069 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.704 -5.651 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.657 -7.200 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.122 -7.945 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.214 -8.576 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.793 -6.964 9.070 1.00 0.00 H new ATOM 542 N LEU A 36 -0.418 -5.172 4.702 1.00 0.00 N ATOM 543 CA LEU A 36 0.523 -5.046 3.603 1.00 0.00 C ATOM 544 C LEU A 36 1.185 -3.668 3.658 1.00 0.00 C ATOM 545 O LEU A 36 1.874 -3.268 2.721 1.00 0.00 O ATOM 546 CB LEU A 36 -0.166 -5.345 2.270 1.00 0.00 C ATOM 547 CG LEU A 36 -0.761 -6.747 2.122 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.662 -6.832 0.888 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.339 -7.810 2.103 1.00 0.00 C ATOM 0 H LEU A 36 -1.343 -4.785 4.517 1.00 0.00 H new ATOM 0 HA LEU A 36 1.318 -5.785 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.963 -4.616 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.556 -5.192 1.468 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.386 -6.947 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.072 -7.838 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.477 -6.115 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.079 -6.604 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.111 -8.797 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.010 -7.625 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.903 -7.767 3.035 1.00 0.00 H new ATOM 561 N ALA A 37 0.951 -2.979 4.765 1.00 0.00 N ATOM 562 CA ALA A 37 1.516 -1.653 4.954 1.00 0.00 C ATOM 563 C ALA A 37 3.038 -1.763 5.066 1.00 0.00 C ATOM 564 O ALA A 37 3.767 -1.047 4.381 1.00 0.00 O ATOM 565 CB ALA A 37 0.886 -1.002 6.188 1.00 0.00 C ATOM 0 H ALA A 37 0.378 -3.313 5.540 1.00 0.00 H new ATOM 0 HA ALA A 37 1.294 -1.015 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.309 -0.008 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.192 -0.921 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.092 -1.613 7.067 1.00 0.00 H new ATOM 571 N PRO A 38 3.483 -2.688 5.957 1.00 0.00 N ATOM 572 CA PRO A 38 4.905 -2.901 6.167 1.00 0.00 C ATOM 573 C PRO A 38 5.522 -3.676 5.001 1.00 0.00 C ATOM 574 O PRO A 38 6.613 -3.346 4.539 1.00 0.00 O ATOM 575 CB PRO A 38 5.001 -3.643 7.490 1.00 0.00 C ATOM 576 CG PRO A 38 3.620 -4.226 7.742 1.00 0.00 C ATOM 577 CD PRO A 38 2.649 -3.554 6.785 1.00 0.00 C ATOM 0 HA PRO A 38 5.468 -1.969 6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.754 -4.429 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.293 -2.969 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.626 -5.305 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.317 -4.056 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.118 -4.288 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.895 -2.980 7.324 1.00 0.00 H new ATOM 585 N ILE A 39 4.796 -4.692 4.558 1.00 0.00 N ATOM 586 CA ILE A 39 5.258 -5.517 3.454 1.00 0.00 C ATOM 587 C ILE A 39 5.509 -4.632 2.232 1.00 0.00 C ATOM 588 O ILE A 39 6.351 -4.950 1.393 1.00 0.00 O ATOM 589 CB ILE A 39 4.276 -6.661 3.193 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.325 -7.694 4.321 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.525 -7.296 1.824 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.929 -7.947 4.894 1.00 0.00 C ATOM 0 H ILE A 39 3.891 -4.963 4.943 1.00 0.00 H new ATOM 0 HA ILE A 39 6.207 -5.992 3.704 1.00 0.00 H new ATOM 0 HB ILE A 39 3.267 -6.248 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.743 -8.628 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.988 -7.343 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.814 -8.106 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.399 -6.543 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.540 -7.692 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.992 -8.685 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.524 -7.016 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.275 -8.321 4.106 1.00 0.00 H new ATOM 604 N ILE A 40 4.765 -3.538 2.170 1.00 0.00 N ATOM 605 CA ILE A 40 4.896 -2.604 1.064 1.00 0.00 C ATOM 606 C ILE A 40 5.979 -1.575 1.398 1.00 0.00 C ATOM 607 O ILE A 40 6.960 -1.443 0.668 1.00 0.00 O ATOM 608 CB ILE A 40 3.541 -1.983 0.723 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.660 -2.973 -0.041 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.717 -0.667 -0.037 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.216 -2.475 -0.120 1.00 0.00 C ATOM 0 H ILE A 40 4.069 -3.277 2.868 1.00 0.00 H new ATOM 0 HA ILE A 40 5.217 -3.124 0.161 1.00 0.00 H new ATOM 0 HB ILE A 40 3.028 -1.750 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.055 -3.115 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.687 -3.945 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.738 -0.246 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.279 0.036 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.260 -0.852 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.611 -3.198 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.816 -2.357 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.190 -1.515 -0.635 1.00 0.00 H new ATOM 623 N CYS A 41 5.763 -0.873 2.500 1.00 0.00 N ATOM 624 CA CYS A 41 6.707 0.140 2.939 1.00 0.00 C ATOM 625 C CYS A 41 8.103 -0.487 2.974 1.00 0.00 C ATOM 626 O CYS A 41 9.056 0.082 2.443 1.00 0.00 O ATOM 627 CB CYS A 41 6.314 0.732 4.294 1.00 0.00 C ATOM 628 SG CYS A 41 5.568 2.387 4.061 1.00 0.00 S ATOM 0 H CYS A 41 4.948 -0.986 3.102 1.00 0.00 H new ATOM 0 HA CYS A 41 6.701 0.974 2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.607 0.073 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.192 0.807 4.936 1.00 0.00 H new ATOM 0 HG CYS A 41 4.272 2.282 4.055 1.00 0.00 H new ATOM 634 N SER A 42 8.178 -1.650 3.603 1.00 0.00 N ATOM 635 CA SER A 42 9.441 -2.360 3.714 1.00 0.00 C ATOM 636 C SER A 42 10.024 -2.611 2.322 1.00 0.00 C ATOM 637 O SER A 42 11.228 -2.469 2.115 1.00 0.00 O ATOM 638 CB SER A 42 9.265 -3.684 4.462 1.00 0.00 C ATOM 639 OG SER A 42 10.515 -4.261 4.827 1.00 0.00 O ATOM 0 H SER A 42 7.385 -2.119 4.041 1.00 0.00 H new ATOM 0 HA SER A 42 10.133 -1.740 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.667 -3.517 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.712 -4.384 3.835 1.00 0.00 H new ATOM 0 HG SER A 42 10.360 -5.103 5.303 1.00 0.00 H new ATOM 645 N LYS A 43 9.143 -2.979 1.403 1.00 0.00 N ATOM 646 CA LYS A 43 9.556 -3.251 0.037 1.00 0.00 C ATOM 647 C LYS A 43 10.194 -1.994 -0.558 1.00 0.00 C ATOM 648 O LYS A 43 11.161 -2.082 -1.313 1.00 0.00 O ATOM 649 CB LYS A 43 8.380 -3.789 -0.781 1.00 0.00 C ATOM 650 CG LYS A 43 8.195 -5.290 -0.551 1.00 0.00 C ATOM 651 CD LYS A 43 9.058 -6.104 -1.516 1.00 0.00 C ATOM 652 CE LYS A 43 8.823 -7.605 -1.331 1.00 0.00 C ATOM 653 NZ LYS A 43 10.011 -8.373 -1.765 1.00 0.00 N ATOM 0 H LYS A 43 8.145 -3.095 1.578 1.00 0.00 H new ATOM 0 HA LYS A 43 10.314 -4.034 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.468 -3.260 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.551 -3.598 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.459 -5.539 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.146 -5.555 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.828 -5.820 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.111 -5.874 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.607 -7.819 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.951 -7.916 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.835 -9.389 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.200 -8.182 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.835 -8.088 -1.198 1.00 0.00 H new ATOM 667 N CYS A 44 9.627 -0.852 -0.195 1.00 0.00 N ATOM 668 CA CYS A 44 10.129 0.421 -0.683 1.00 0.00 C ATOM 669 C CYS A 44 10.978 1.057 0.419 1.00 0.00 C ATOM 670 O CYS A 44 11.204 2.266 0.413 1.00 0.00 O ATOM 671 CB CYS A 44 8.992 1.342 -1.131 1.00 0.00 C ATOM 672 SG CYS A 44 9.005 1.511 -2.953 1.00 0.00 S ATOM 0 H CYS A 44 8.825 -0.782 0.431 1.00 0.00 H new ATOM 0 HA CYS A 44 10.746 0.257 -1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.035 0.938 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.102 2.322 -0.666 1.00 0.00 H new ATOM 0 HG CYS A 44 8.947 2.770 -3.272 1.00 0.00 H new ATOM 678 N GLU A 45 11.425 0.214 1.338 1.00 0.00 N ATOM 679 CA GLU A 45 12.245 0.679 2.445 1.00 0.00 C ATOM 680 C GLU A 45 11.715 2.014 2.973 1.00 0.00 C ATOM 681 O GLU A 45 12.488 2.941 3.214 1.00 0.00 O ATOM 682 CB GLU A 45 13.712 0.798 2.028 1.00 0.00 C ATOM 683 CG GLU A 45 14.536 -0.365 2.585 1.00 0.00 C ATOM 684 CD GLU A 45 16.027 -0.025 2.596 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.379 0.966 3.271 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.783 -0.765 1.929 1.00 0.00 O ATOM 0 H GLU A 45 11.235 -0.788 1.339 1.00 0.00 H new ATOM 0 HA GLU A 45 12.188 -0.056 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.785 0.812 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.120 1.743 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.205 -0.598 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.367 -1.257 1.981 1.00 0.00 H new ATOM 693 N PHE A 46 10.402 2.070 3.137 1.00 0.00 N ATOM 694 CA PHE A 46 9.760 3.276 3.633 1.00 0.00 C ATOM 695 C PHE A 46 9.467 3.166 5.130 1.00 0.00 C ATOM 696 O PHE A 46 9.862 2.195 5.774 1.00 0.00 O ATOM 697 CB PHE A 46 8.439 3.423 2.875 1.00 0.00 C ATOM 698 CG PHE A 46 8.526 4.327 1.643 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.730 4.568 1.060 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.398 4.889 1.132 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.810 5.406 -0.084 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.478 5.727 -0.012 1.00 0.00 C ATOM 703 CZ PHE A 46 8.683 5.968 -0.595 1.00 0.00 C ATOM 0 H PHE A 46 9.765 1.300 2.935 1.00 0.00 H new ATOM 0 HA PHE A 46 10.414 4.135 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.098 2.435 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.685 3.822 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.626 4.122 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.442 4.698 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.767 5.597 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.582 6.173 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.744 6.606 -1.464 1.00 0.00 H new ATOM 713 N ASP A 47 8.775 4.174 5.641 1.00 0.00 N ATOM 714 CA ASP A 47 8.424 4.202 7.050 1.00 0.00 C ATOM 715 C ASP A 47 6.900 4.201 7.192 1.00 0.00 C ATOM 716 O ASP A 47 6.237 5.161 6.804 1.00 0.00 O ATOM 717 CB ASP A 47 8.960 5.465 7.727 1.00 0.00 C ATOM 718 CG ASP A 47 10.304 5.296 8.439 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.204 4.690 7.818 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.401 5.776 9.589 1.00 0.00 O ATOM 0 H ASP A 47 8.448 4.977 5.104 1.00 0.00 H new ATOM 0 HA ASP A 47 8.864 3.324 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.060 6.248 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.223 5.811 8.452 1.00 0.00 H new ATOM 725 N PRO A 48 6.377 3.084 7.763 1.00 0.00 N ATOM 726 CA PRO A 48 4.944 2.945 7.961 1.00 0.00 C ATOM 727 C PRO A 48 4.465 3.809 9.130 1.00 0.00 C ATOM 728 O PRO A 48 3.278 3.824 9.450 1.00 0.00 O ATOM 729 CB PRO A 48 4.720 1.459 8.190 1.00 0.00 C ATOM 730 CG PRO A 48 6.075 0.888 8.574 1.00 0.00 C ATOM 731 CD PRO A 48 7.132 1.927 8.235 1.00 0.00 C ATOM 0 HA PRO A 48 4.366 3.294 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.988 1.292 8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.334 0.979 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.101 0.650 9.637 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.265 -0.040 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.735 2.177 9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.816 1.561 7.469 1.00 0.00 H new ATOM 739 N LEU A 49 5.415 4.507 9.735 1.00 0.00 N ATOM 740 CA LEU A 49 5.105 5.371 10.862 1.00 0.00 C ATOM 741 C LEU A 49 4.200 6.511 10.391 1.00 0.00 C ATOM 742 O LEU A 49 3.166 6.779 11.000 1.00 0.00 O ATOM 743 CB LEU A 49 6.391 5.848 11.541 1.00 0.00 C ATOM 744 CG LEU A 49 6.832 5.056 12.773 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.358 4.994 12.868 1.00 0.00 C ATOM 746 CD2 LEU A 49 6.201 5.625 14.045 1.00 0.00 C ATOM 0 H LEU A 49 6.399 4.492 9.466 1.00 0.00 H new ATOM 0 HA LEU A 49 4.554 4.820 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.197 5.820 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.260 6.890 11.831 1.00 0.00 H new ATOM 0 HG LEU A 49 6.475 4.032 12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.645 4.425 13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.758 4.508 11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.759 6.005 12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.531 5.044 14.906 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.507 6.664 14.170 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.115 5.573 13.967 1.00 0.00 H new ATOM 758 N HIS A 50 4.621 7.151 9.310 1.00 0.00 N ATOM 759 CA HIS A 50 3.861 8.255 8.750 1.00 0.00 C ATOM 760 C HIS A 50 3.730 8.073 7.237 1.00 0.00 C ATOM 761 O HIS A 50 4.115 8.952 6.466 1.00 0.00 O ATOM 762 CB HIS A 50 4.489 9.597 9.134 1.00 0.00 C ATOM 763 CG HIS A 50 5.992 9.555 9.267 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.924 8.799 8.618 1.00 0.00 N flip ATOM 765 CD2 HIS A 50 6.689 10.357 10.154 1.00 0.00 C flip ATOM 766 CE1 HIS A 50 8.125 9.124 9.082 1.00 0.00 C flip ATOM 767 NE2 HIS A 50 7.981 10.089 10.035 1.00 0.00 N flip ATOM 0 H HIS A 50 5.479 6.926 8.807 1.00 0.00 H new ATOM 0 HA HIS A 50 2.855 8.258 9.169 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.221 10.340 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.060 9.930 10.079 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.253 11.079 10.829 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.062 8.695 8.758 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.735 10.527 10.563 1.00 0.00 H new ATOM 775 N THR A 51 3.185 6.927 6.856 1.00 0.00 N ATOM 776 CA THR A 51 2.998 6.619 5.448 1.00 0.00 C ATOM 777 C THR A 51 1.520 6.359 5.151 1.00 0.00 C ATOM 778 O THR A 51 0.868 5.588 5.852 1.00 0.00 O ATOM 779 CB THR A 51 3.904 5.437 5.099 1.00 0.00 C ATOM 780 OG1 THR A 51 5.173 6.035 4.847 1.00 0.00 O ATOM 781 CG2 THR A 51 3.529 4.784 3.767 1.00 0.00 C ATOM 0 H THR A 51 2.867 6.201 7.498 1.00 0.00 H new ATOM 0 HA THR A 51 3.281 7.462 4.818 1.00 0.00 H new ATOM 0 HB THR A 51 3.853 4.694 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.740 5.946 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.203 3.951 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.504 4.417 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.612 5.518 2.966 1.00 0.00 H new ATOM 789 N LEU A 52 1.034 7.019 4.109 1.00 0.00 N ATOM 790 CA LEU A 52 -0.355 6.869 3.710 1.00 0.00 C ATOM 791 C LEU A 52 -0.422 6.088 2.396 1.00 0.00 C ATOM 792 O LEU A 52 0.605 5.831 1.769 1.00 0.00 O ATOM 793 CB LEU A 52 -1.045 8.234 3.650 1.00 0.00 C ATOM 794 CG LEU A 52 -2.041 8.531 4.773 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.570 9.963 4.671 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.173 7.502 4.788 1.00 0.00 C ATOM 0 H LEU A 52 1.578 7.659 3.529 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.905 6.291 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.277 9.008 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.568 8.313 2.697 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.517 8.448 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.276 10.149 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.739 10.664 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.073 10.098 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.867 7.736 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.702 7.529 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.758 6.506 4.944 1.00 0.00 H new ATOM 808 N LEU A 53 -1.641 5.733 2.018 1.00 0.00 N ATOM 809 CA LEU A 53 -1.856 4.986 0.790 1.00 0.00 C ATOM 810 C LEU A 53 -2.917 5.696 -0.054 1.00 0.00 C ATOM 811 O LEU A 53 -4.114 5.511 0.164 1.00 0.00 O ATOM 812 CB LEU A 53 -2.193 3.527 1.102 1.00 0.00 C ATOM 813 CG LEU A 53 -1.176 2.773 1.961 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.716 1.403 2.375 1.00 0.00 C ATOM 815 CD2 LEU A 53 0.173 2.665 1.246 1.00 0.00 C ATOM 0 H LEU A 53 -2.490 5.949 2.540 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.942 4.957 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.158 3.498 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.310 2.992 0.159 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.012 3.344 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.973 0.888 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.632 1.532 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.928 0.811 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.878 2.125 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.044 2.129 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.559 3.664 1.044 1.00 0.00 H new ATOM 827 N LEU A 54 -2.440 6.492 -1.000 1.00 0.00 N ATOM 828 CA LEU A 54 -3.333 7.229 -1.877 1.00 0.00 C ATOM 829 C LEU A 54 -3.567 6.421 -3.155 1.00 0.00 C ATOM 830 O LEU A 54 -2.709 5.643 -3.568 1.00 0.00 O ATOM 831 CB LEU A 54 -2.792 8.638 -2.131 1.00 0.00 C ATOM 832 CG LEU A 54 -2.559 9.500 -0.889 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.868 9.739 -0.134 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.482 8.888 0.009 1.00 0.00 C ATOM 0 H LEU A 54 -1.447 6.642 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.305 7.366 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.849 8.552 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.489 9.161 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.192 10.474 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.674 10.354 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.576 10.250 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.288 8.783 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.336 9.520 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.796 7.894 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.546 8.813 -0.545 1.00 0.00 H new ATOM 846 N LYS A 55 -4.734 6.633 -3.746 1.00 0.00 N ATOM 847 CA LYS A 55 -5.092 5.934 -4.969 1.00 0.00 C ATOM 848 C LYS A 55 -4.002 6.161 -6.018 1.00 0.00 C ATOM 849 O LYS A 55 -3.421 5.205 -6.531 1.00 0.00 O ATOM 850 CB LYS A 55 -6.489 6.350 -5.434 1.00 0.00 C ATOM 851 CG LYS A 55 -7.492 6.291 -4.279 1.00 0.00 C ATOM 852 CD LYS A 55 -8.527 5.188 -4.507 1.00 0.00 C ATOM 853 CE LYS A 55 -9.569 5.620 -5.542 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.936 5.451 -5.002 1.00 0.00 N ATOM 0 H LYS A 55 -5.444 7.279 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.147 4.860 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.455 7.361 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.818 5.694 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.964 6.111 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.996 7.253 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.028 4.280 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.022 4.948 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.407 6.662 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.455 5.029 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.631 5.748 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.093 4.451 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.046 6.034 -4.148 1.00 0.00 H new ATOM 868 N ASP A 56 -3.758 7.431 -6.307 1.00 0.00 N ATOM 869 CA ASP A 56 -2.748 7.794 -7.286 1.00 0.00 C ATOM 870 C ASP A 56 -2.408 9.279 -7.135 1.00 0.00 C ATOM 871 O ASP A 56 -3.078 10.000 -6.397 1.00 0.00 O ATOM 872 CB ASP A 56 -3.256 7.568 -8.711 1.00 0.00 C ATOM 873 CG ASP A 56 -2.717 6.312 -9.398 1.00 0.00 C ATOM 874 OD1 ASP A 56 -1.606 6.405 -9.963 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.429 5.286 -9.343 1.00 0.00 O ATOM 0 H ASP A 56 -4.242 8.221 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.871 7.171 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.344 7.513 -8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.994 8.436 -9.316 1.00 0.00 H new ATOM 880 N TYR A 57 -1.369 9.690 -7.846 1.00 0.00 N ATOM 881 CA TYR A 57 -0.933 11.076 -7.800 1.00 0.00 C ATOM 882 C TYR A 57 -1.957 11.995 -8.469 1.00 0.00 C ATOM 883 O TYR A 57 -1.907 13.213 -8.299 1.00 0.00 O ATOM 884 CB TYR A 57 0.377 11.132 -8.589 1.00 0.00 C ATOM 885 CG TYR A 57 0.829 12.549 -8.946 1.00 0.00 C ATOM 886 CD1 TYR A 57 0.232 13.220 -9.994 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.832 13.157 -8.219 1.00 0.00 C ATOM 888 CE1 TYR A 57 0.658 14.555 -10.330 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.257 14.491 -8.554 1.00 0.00 C ATOM 890 CZ TYR A 57 1.649 15.124 -9.593 1.00 0.00 C ATOM 891 OH TYR A 57 2.050 16.385 -9.910 1.00 0.00 O ATOM 0 H TYR A 57 -0.816 9.089 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.814 11.407 -6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.161 10.648 -8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.261 10.557 -9.507 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.554 12.745 -10.562 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.298 12.632 -7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.201 15.091 -11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.041 14.978 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 57 2.764 16.664 -9.299 1.00 0.00 H new ATOM 901 N GLN A 58 -2.861 11.378 -9.214 1.00 0.00 N ATOM 902 CA GLN A 58 -3.895 12.126 -9.909 1.00 0.00 C ATOM 903 C GLN A 58 -5.240 11.959 -9.197 1.00 0.00 C ATOM 904 O GLN A 58 -6.174 12.721 -9.442 1.00 0.00 O ATOM 905 CB GLN A 58 -3.993 11.695 -11.374 1.00 0.00 C ATOM 906 CG GLN A 58 -4.000 10.170 -11.497 1.00 0.00 C ATOM 907 CD GLN A 58 -4.367 9.737 -12.918 1.00 0.00 C ATOM 908 OE1 GLN A 58 -3.522 9.570 -13.782 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.672 9.565 -13.111 1.00 0.00 N ATOM 0 H GLN A 58 -2.899 10.368 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.626 13.182 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.901 12.103 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.153 12.105 -11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.018 9.776 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.713 9.748 -10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.326 9.722 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.019 9.276 -14.026 1.00 0.00 H new ATOM 918 N SER A 59 -5.295 10.958 -8.331 1.00 0.00 N ATOM 919 CA SER A 59 -6.509 10.682 -7.583 1.00 0.00 C ATOM 920 C SER A 59 -6.468 11.402 -6.234 1.00 0.00 C ATOM 921 O SER A 59 -7.417 12.091 -5.865 1.00 0.00 O ATOM 922 CB SER A 59 -6.698 9.178 -7.375 1.00 0.00 C ATOM 923 OG SER A 59 -7.230 8.542 -8.534 1.00 0.00 O ATOM 0 H SER A 59 -4.518 10.328 -8.131 1.00 0.00 H new ATOM 0 HA SER A 59 -7.357 11.052 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.740 8.724 -7.120 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.366 9.010 -6.530 1.00 0.00 H new ATOM 0 HG SER A 59 -7.334 7.583 -8.362 1.00 0.00 H new ATOM 929 N GLN A 60 -5.357 11.219 -5.535 1.00 0.00 N ATOM 930 CA GLN A 60 -5.180 11.843 -4.235 1.00 0.00 C ATOM 931 C GLN A 60 -5.959 11.074 -3.166 1.00 0.00 C ATOM 932 O GLN A 60 -5.396 10.681 -2.145 1.00 0.00 O ATOM 933 CB GLN A 60 -5.602 13.313 -4.270 1.00 0.00 C ATOM 934 CG GLN A 60 -5.019 14.022 -5.494 1.00 0.00 C ATOM 935 CD GLN A 60 -3.536 14.337 -5.290 1.00 0.00 C ATOM 936 OE1 GLN A 60 -2.996 14.229 -4.201 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.910 14.732 -6.395 1.00 0.00 N ATOM 0 H GLN A 60 -4.571 10.648 -5.845 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.121 11.809 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.690 13.382 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.266 13.813 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.143 13.394 -6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.568 14.945 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.422 14.801 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.918 14.966 -6.363 1.00 0.00 H new ATOM 946 N GLU A 61 -7.241 10.882 -3.437 1.00 0.00 N ATOM 947 CA GLU A 61 -8.103 10.167 -2.511 1.00 0.00 C ATOM 948 C GLU A 61 -7.348 8.996 -1.879 1.00 0.00 C ATOM 949 O GLU A 61 -6.737 8.194 -2.584 1.00 0.00 O ATOM 950 CB GLU A 61 -9.377 9.685 -3.209 1.00 0.00 C ATOM 951 CG GLU A 61 -10.534 10.655 -2.969 1.00 0.00 C ATOM 952 CD GLU A 61 -10.482 11.825 -3.954 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.004 11.646 -5.075 1.00 0.00 O ATOM 954 OE2 GLU A 61 -9.923 12.872 -3.562 1.00 0.00 O ATOM 0 H GLU A 61 -7.704 11.209 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.400 10.853 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.195 9.588 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.645 8.695 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.483 10.128 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.491 11.033 -1.947 1.00 0.00 H new ATOM 961 N PRO A 62 -7.416 8.934 -0.522 1.00 0.00 N ATOM 962 CA PRO A 62 -6.745 7.875 0.213 1.00 0.00 C ATOM 963 C PRO A 62 -7.502 6.551 0.080 1.00 0.00 C ATOM 964 O PRO A 62 -8.675 6.537 -0.289 1.00 0.00 O ATOM 965 CB PRO A 62 -6.673 8.376 1.646 1.00 0.00 C ATOM 966 CG PRO A 62 -7.710 9.481 1.754 1.00 0.00 C ATOM 967 CD PRO A 62 -8.130 9.866 0.345 1.00 0.00 C ATOM 0 HA PRO A 62 -5.747 7.663 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.884 7.572 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.677 8.751 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.571 9.141 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.296 10.343 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.209 9.780 0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.864 10.899 0.121 1.00 0.00 H new ATOM 975 N LEU A 63 -6.799 5.471 0.387 1.00 0.00 N ATOM 976 CA LEU A 63 -7.389 4.146 0.306 1.00 0.00 C ATOM 977 C LEU A 63 -7.850 3.712 1.699 1.00 0.00 C ATOM 978 O LEU A 63 -7.630 4.422 2.679 1.00 0.00 O ATOM 979 CB LEU A 63 -6.417 3.166 -0.353 1.00 0.00 C ATOM 980 CG LEU A 63 -5.697 3.674 -1.604 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.248 3.185 -1.639 1.00 0.00 C ATOM 982 CD2 LEU A 63 -6.463 3.289 -2.871 1.00 0.00 C ATOM 0 H LEU A 63 -5.826 5.487 0.692 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.272 4.161 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.666 2.880 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.966 2.262 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.668 4.763 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.759 3.560 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.719 3.551 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.232 2.095 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.930 3.662 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.545 2.204 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.461 3.727 -2.840 1.00 0.00 H new ATOM 994 N ASP A 64 -8.482 2.548 1.743 1.00 0.00 N ATOM 995 CA ASP A 64 -8.976 2.011 2.999 1.00 0.00 C ATOM 996 C ASP A 64 -8.140 0.791 3.391 1.00 0.00 C ATOM 997 O ASP A 64 -8.156 -0.225 2.699 1.00 0.00 O ATOM 998 CB ASP A 64 -10.433 1.564 2.872 1.00 0.00 C ATOM 999 CG ASP A 64 -11.430 2.360 3.717 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -10.982 3.343 4.346 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.617 1.968 3.714 1.00 0.00 O ATOM 0 H ASP A 64 -8.663 1.962 0.928 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.904 2.795 3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.729 1.635 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.500 0.513 3.152 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.429 0.933 4.501 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.588 -0.145 4.993 1.00 0.00 C ATOM 1008 C LEU A 65 -7.461 -1.358 5.322 1.00 0.00 C ATOM 1009 O LEU A 65 -7.127 -2.484 4.959 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.735 0.336 6.169 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.955 1.633 5.945 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.432 2.193 7.269 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.832 1.428 4.926 1.00 0.00 C ATOM 0 H LEU A 65 -7.418 1.778 5.073 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.882 -0.459 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.386 0.471 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.026 -0.452 6.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.637 2.374 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.881 3.115 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.271 2.400 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.770 1.464 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.293 2.365 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.144 0.665 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.258 1.108 3.975 1.00 0.00 H new ATOM 1025 N THR A 66 -8.563 -1.085 6.006 1.00 0.00 N ATOM 1026 CA THR A 66 -9.486 -2.140 6.388 1.00 0.00 C ATOM 1027 C THR A 66 -9.878 -2.974 5.167 1.00 0.00 C ATOM 1028 O THR A 66 -10.199 -4.155 5.294 1.00 0.00 O ATOM 1029 CB THR A 66 -10.681 -1.491 7.089 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.018 -0.388 6.252 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.298 -0.844 8.422 1.00 0.00 C ATOM 0 H THR A 66 -8.837 -0.149 6.305 1.00 0.00 H new ATOM 0 HA THR A 66 -9.022 -2.839 7.084 1.00 0.00 H new ATOM 0 HB THR A 66 -11.453 -2.241 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.786 0.088 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.182 -0.398 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.889 -1.602 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.550 -0.070 8.249 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.838 -2.328 4.011 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.184 -2.995 2.768 1.00 0.00 C ATOM 1041 C LYS A 67 -8.928 -3.629 2.167 1.00 0.00 C ATOM 1042 O LYS A 67 -7.822 -3.411 2.659 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.898 -2.028 1.822 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.087 -1.360 2.515 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.392 -2.092 2.193 1.00 0.00 C ATOM 1046 CE LYS A 67 -13.924 -2.829 3.424 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.243 -2.287 3.822 1.00 0.00 N ATOM 0 H LYS A 67 -9.571 -1.349 3.909 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.891 -3.803 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.198 -1.266 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.243 -2.566 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.927 -1.352 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.161 -0.320 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.137 -1.378 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.225 -2.802 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.012 -3.894 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.219 -2.728 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.590 -2.798 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.149 -1.276 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.918 -2.406 3.039 1.00 0.00 H new ATOM 1061 N SER A 68 -9.141 -4.402 1.112 1.00 0.00 N ATOM 1062 CA SER A 68 -8.040 -5.069 0.439 1.00 0.00 C ATOM 1063 C SER A 68 -7.997 -4.653 -1.033 1.00 0.00 C ATOM 1064 O SER A 68 -8.863 -3.914 -1.498 1.00 0.00 O ATOM 1065 CB SER A 68 -8.161 -6.590 0.558 1.00 0.00 C ATOM 1066 OG SER A 68 -9.521 -7.014 0.608 1.00 0.00 O ATOM 0 H SER A 68 -10.060 -4.581 0.707 1.00 0.00 H new ATOM 0 HA SER A 68 -7.111 -4.767 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.665 -7.061 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.643 -6.926 1.456 1.00 0.00 H new ATOM 0 HG SER A 68 -9.557 -7.991 0.682 1.00 0.00 H new ATOM 1072 N LEU A 69 -6.980 -5.146 -1.725 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.813 -4.835 -3.134 1.00 0.00 C ATOM 1074 C LEU A 69 -8.019 -5.362 -3.914 1.00 0.00 C ATOM 1075 O LEU A 69 -8.407 -4.784 -4.929 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.472 -5.365 -3.644 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.230 -4.596 -3.189 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.087 -3.281 -3.959 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.245 -4.376 -1.675 1.00 0.00 C ATOM 0 H LEU A 69 -6.263 -5.759 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.781 -3.756 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.369 -6.403 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.495 -5.366 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.352 -5.200 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.197 -2.754 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.997 -3.491 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.966 -2.660 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.351 -3.827 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.131 -3.803 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.264 -5.340 -1.167 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.579 -6.453 -3.412 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.733 -7.063 -4.049 1.00 0.00 C ATOM 1093 C ASN A 70 -10.956 -6.167 -3.846 1.00 0.00 C ATOM 1094 O ASN A 70 -11.653 -5.836 -4.804 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.042 -8.430 -3.435 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.805 -9.552 -4.447 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.391 -9.593 -5.517 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -8.915 -10.458 -4.052 1.00 0.00 N ATOM 0 H ASN A 70 -8.254 -6.930 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.508 -7.185 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.415 -8.589 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.078 -8.454 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.687 -11.247 -4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.461 -10.364 -3.144 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.180 -5.799 -2.593 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.306 -4.947 -2.253 1.00 0.00 C ATOM 1107 C ASP A 71 -12.213 -3.644 -3.048 1.00 0.00 C ATOM 1108 O ASP A 71 -13.220 -3.142 -3.545 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.300 -4.594 -0.764 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.665 -4.669 -0.076 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.514 -3.813 -0.405 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.828 -5.581 0.763 1.00 0.00 O ATOM 0 H ASP A 71 -10.600 -6.076 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.222 -5.488 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.613 -5.266 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.906 -3.585 -0.647 1.00 0.00 H new ATOM 1117 N LEU A 72 -10.995 -3.132 -3.143 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.757 -1.896 -3.870 1.00 0.00 C ATOM 1119 C LEU A 72 -10.953 -2.144 -5.367 1.00 0.00 C ATOM 1120 O LEU A 72 -11.900 -1.635 -5.965 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.383 -1.323 -3.516 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.170 -0.949 -2.048 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.704 -1.124 -1.645 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -9.678 0.465 -1.763 1.00 0.00 C ATOM 0 H LEU A 72 -10.162 -3.550 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.480 -1.135 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.624 -2.052 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.214 -0.435 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.757 -1.631 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.580 -0.851 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.409 -2.164 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.077 -0.482 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.515 0.706 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.139 1.178 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.743 0.521 -1.986 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.042 -2.924 -5.929 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.104 -3.245 -7.345 1.00 0.00 C ATOM 1138 C GLY A 73 -8.997 -2.526 -8.119 1.00 0.00 C ATOM 1139 O GLY A 73 -9.173 -2.185 -9.288 1.00 0.00 O ATOM 0 H GLY A 73 -9.257 -3.343 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.008 -4.322 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.077 -2.959 -7.744 1.00 0.00 H new ATOM 1143 N LEU A 74 -7.882 -2.315 -7.435 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.747 -1.641 -8.044 1.00 0.00 C ATOM 1145 C LEU A 74 -5.546 -2.588 -8.059 1.00 0.00 C ATOM 1146 O LEU A 74 -5.466 -3.509 -7.247 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.473 -0.311 -7.340 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.651 0.662 -7.262 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.353 1.808 -6.292 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.034 1.173 -8.652 1.00 0.00 C ATOM 0 H LEU A 74 -7.740 -2.599 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.966 -1.387 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.135 -0.523 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.650 0.186 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.513 0.123 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.207 2.485 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.168 1.404 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.472 2.353 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.874 1.863 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.184 1.690 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.318 0.331 -9.284 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.641 -2.330 -8.991 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.447 -3.148 -9.123 1.00 0.00 C ATOM 1164 C ARG A 75 -2.238 -2.421 -8.532 1.00 0.00 C ATOM 1165 O ARG A 75 -1.270 -3.055 -8.115 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.166 -3.481 -10.589 1.00 0.00 C ATOM 1167 CG ARG A 75 -3.787 -4.825 -10.975 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.051 -5.983 -10.297 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.531 -6.919 -11.319 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.306 -7.655 -12.128 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.640 -7.568 -12.039 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -2.746 -8.478 -13.025 1.00 0.00 N ATOM 0 H ARG A 75 -4.710 -1.566 -9.663 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.620 -4.076 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.567 -2.694 -11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.090 -3.512 -10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.838 -4.840 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.750 -4.950 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.230 -5.599 -9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.726 -6.508 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.519 -7.010 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.066 -6.942 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.230 -8.128 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.730 -8.544 -13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.335 -9.038 -13.641 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.332 -1.099 -8.514 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.258 -0.279 -7.980 1.00 0.00 C ATOM 1188 C GLU A 76 -1.810 0.725 -6.967 1.00 0.00 C ATOM 1189 O GLU A 76 -3.023 0.898 -6.856 1.00 0.00 O ATOM 1190 CB GLU A 76 -0.504 0.434 -9.104 1.00 0.00 C ATOM 1191 CG GLU A 76 -1.278 1.660 -9.592 1.00 0.00 C ATOM 1192 CD GLU A 76 -2.575 1.246 -10.292 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.464 0.643 -11.381 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -3.647 1.542 -9.722 1.00 0.00 O ATOM 0 H GLU A 76 -3.136 -0.576 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.550 -0.930 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.481 0.739 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.345 -0.254 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.508 2.310 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.658 2.237 -10.278 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.893 1.361 -6.252 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.273 2.344 -5.252 1.00 0.00 C ATOM 1203 C LEU A 77 -0.122 3.330 -5.048 1.00 0.00 C ATOM 1204 O LEU A 77 0.987 3.103 -5.531 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.724 1.651 -3.964 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.799 0.553 -3.435 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.281 0.899 -2.038 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.493 -0.811 -3.467 1.00 0.00 C ATOM 0 H LEU A 77 0.112 1.214 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.131 2.922 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.838 2.408 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.710 1.218 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 77 0.067 0.489 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.374 0.102 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.275 1.835 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.123 1.006 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.814 -1.574 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.388 -0.779 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.772 -1.053 -4.492 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.423 4.404 -4.333 1.00 0.00 N ATOM 1221 CA TYR A 78 0.573 5.425 -4.060 1.00 0.00 C ATOM 1222 C TYR A 78 0.810 5.572 -2.556 1.00 0.00 C ATOM 1223 O TYR A 78 -0.140 5.615 -1.775 1.00 0.00 O ATOM 1224 CB TYR A 78 -0.004 6.734 -4.603 1.00 0.00 C ATOM 1225 CG TYR A 78 0.897 7.950 -4.384 1.00 0.00 C ATOM 1226 CD1 TYR A 78 0.841 8.646 -3.194 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.767 8.352 -5.377 1.00 0.00 C ATOM 1228 CE1 TYR A 78 1.689 9.791 -2.987 1.00 0.00 C ATOM 1229 CE2 TYR A 78 2.616 9.497 -5.171 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.535 10.160 -3.986 1.00 0.00 C ATOM 1231 OH TYR A 78 3.337 11.241 -3.792 1.00 0.00 O ATOM 0 H TYR A 78 -1.343 4.589 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 78 1.525 5.164 -4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.191 6.621 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.968 6.919 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.160 8.332 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.811 7.808 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.654 10.344 -2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.301 9.822 -5.940 1.00 0.00 H new ATOM 0 HH TYR A 78 4.112 10.981 -3.252 1.00 0.00 H new ATOM 1241 N ALA A 79 2.082 5.645 -2.193 1.00 0.00 N ATOM 1242 CA ALA A 79 2.456 5.786 -0.796 1.00 0.00 C ATOM 1243 C ALA A 79 2.922 7.221 -0.540 1.00 0.00 C ATOM 1244 O ALA A 79 3.878 7.686 -1.158 1.00 0.00 O ATOM 1245 CB ALA A 79 3.530 4.753 -0.448 1.00 0.00 C ATOM 0 H ALA A 79 2.867 5.609 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 79 1.600 5.597 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.811 4.859 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.139 3.750 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.406 4.913 -1.076 1.00 0.00 H new ATOM 1251 N MET A 80 2.225 7.881 0.373 1.00 0.00 N ATOM 1252 CA MET A 80 2.555 9.254 0.718 1.00 0.00 C ATOM 1253 C MET A 80 3.246 9.324 2.082 1.00 0.00 C ATOM 1254 O MET A 80 2.910 8.568 2.992 1.00 0.00 O ATOM 1255 CB MET A 80 1.277 10.094 0.749 1.00 0.00 C ATOM 1256 CG MET A 80 1.604 11.586 0.846 1.00 0.00 C ATOM 1257 SD MET A 80 0.969 12.444 -0.584 1.00 0.00 S ATOM 1258 CE MET A 80 -0.717 12.710 -0.063 1.00 0.00 C ATOM 0 H MET A 80 1.433 7.491 0.884 1.00 0.00 H new ATOM 0 HA MET A 80 3.238 9.645 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.691 9.904 -0.150 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.663 9.797 1.599 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.169 12.004 1.754 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.683 11.727 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.328 12.973 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.105 11.799 0.392 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.749 13.521 0.664 1.00 0.00 H new ATOM 1268 N ASP A 81 4.198 10.240 2.180 1.00 0.00 N ATOM 1269 CA ASP A 81 4.939 10.419 3.417 1.00 0.00 C ATOM 1270 C ASP A 81 4.434 11.674 4.131 1.00 0.00 C ATOM 1271 O ASP A 81 4.739 12.793 3.720 1.00 0.00 O ATOM 1272 CB ASP A 81 6.433 10.601 3.143 1.00 0.00 C ATOM 1273 CG ASP A 81 6.768 11.501 1.952 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.901 12.722 2.184 1.00 0.00 O ATOM 1275 OD2 ASP A 81 6.882 10.949 0.837 1.00 0.00 O ATOM 0 H ASP A 81 4.473 10.866 1.423 1.00 0.00 H new ATOM 0 HA ASP A 81 4.790 9.530 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.903 11.015 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.878 9.620 2.974 1.00 0.00 H new