USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 22 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 40 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0951) USER MOD Single : A 14 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.4!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -105:sc= -0.906 (180deg=-2.87!) USER MOD Single : A 35 GLN : amide:sc= -2.31 K(o=-2.3,f=-4.5!) USER MOD Single : A 36 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.55) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= 0.233 (180deg=-2.29!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0466 K(o=-0.047,f=-1.6!) USER MOD Single : A 48 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.8!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.778 K(o=-0.78,f=-2.3!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc=-0.00938 K(o=-0.0094,f=-0.85) USER MOD Single : A 66 TYR OH : rot -100:sc= 0.953 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 71 SER OG : rot 89:sc= 0.00258 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.340 -2.900 -5.326 1.00 0.00 N ATOM 60 CA GLY A 7 -6.879 -2.843 -3.951 1.00 0.00 C ATOM 61 C GLY A 7 -7.766 -1.979 -3.077 1.00 0.00 C ATOM 62 O GLY A 7 -8.971 -1.879 -3.312 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.843 -3.852 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.861 -2.453 -3.928 1.00 0.00 H new ATOM 66 N ILE A 8 -7.171 -1.354 -2.067 1.00 0.00 N ATOM 67 CA ILE A 8 -7.916 -0.494 -1.156 1.00 0.00 C ATOM 68 C ILE A 8 -7.640 0.978 -1.440 1.00 0.00 C ATOM 69 O ILE A 8 -6.773 1.313 -2.247 1.00 0.00 O ATOM 70 CB ILE A 8 -7.568 -0.796 0.314 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.088 -0.510 0.579 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.902 -2.241 0.652 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.767 -0.292 2.041 1.00 0.00 C ATOM 0 H ILE A 8 -6.175 -1.427 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.973 -0.701 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.165 -0.147 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.493 -1.343 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.790 0.374 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.650 -2.438 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.967 -2.414 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.328 -2.907 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.701 -0.095 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.335 0.560 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.033 -1.184 2.609 1.00 0.00 H new ATOM 85 N GLN A 9 -8.383 1.854 -0.770 1.00 0.00 N ATOM 86 CA GLN A 9 -8.217 3.291 -0.950 1.00 0.00 C ATOM 87 C GLN A 9 -7.822 3.962 0.361 1.00 0.00 C ATOM 88 O GLN A 9 -8.616 4.032 1.299 1.00 0.00 O ATOM 89 CB GLN A 9 -9.509 3.912 -1.485 1.00 0.00 C ATOM 90 CG GLN A 9 -9.413 5.411 -1.719 1.00 0.00 C ATOM 91 CD GLN A 9 -10.333 5.889 -2.824 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.485 6.247 -2.578 1.00 0.00 O ATOM 93 NE2 GLN A 9 -9.828 5.898 -4.052 1.00 0.00 N ATOM 0 H GLN A 9 -9.105 1.593 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.418 3.451 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.776 3.423 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.316 3.714 -0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.658 5.935 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.385 5.671 -1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.868 5.593 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.400 6.210 -4.836 1.00 0.00 H new ATOM 102 N VAL A 10 -6.588 4.454 0.420 1.00 0.00 N ATOM 103 CA VAL A 10 -6.087 5.120 1.616 1.00 0.00 C ATOM 104 C VAL A 10 -5.962 6.623 1.396 1.00 0.00 C ATOM 105 O VAL A 10 -5.698 7.079 0.283 1.00 0.00 O ATOM 106 CB VAL A 10 -4.716 4.558 2.039 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.835 3.090 2.418 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.697 4.749 0.926 1.00 0.00 C ATOM 0 H VAL A 10 -5.917 4.404 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.809 4.931 2.410 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.371 5.108 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.857 2.710 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.532 2.984 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.201 2.522 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.734 4.347 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.033 4.226 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.592 5.812 0.707 1.00 0.00 H new ATOM 118 N PHE A 11 -6.152 7.390 2.465 1.00 0.00 N ATOM 119 CA PHE A 11 -6.060 8.843 2.389 1.00 0.00 C ATOM 120 C PHE A 11 -4.738 9.336 2.970 1.00 0.00 C ATOM 121 O PHE A 11 -4.526 9.296 4.182 1.00 0.00 O ATOM 122 CB PHE A 11 -7.230 9.488 3.136 1.00 0.00 C ATOM 123 CG PHE A 11 -8.526 9.437 2.378 1.00 0.00 C ATOM 124 CD1 PHE A 11 -9.379 8.353 2.511 1.00 0.00 C ATOM 125 CD2 PHE A 11 -8.891 10.473 1.534 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.572 8.304 1.815 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.083 10.429 0.835 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.925 9.343 0.976 1.00 0.00 C ATOM 0 H PHE A 11 -6.371 7.029 3.394 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.104 9.131 1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.359 8.986 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.985 10.528 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.109 7.538 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.237 11.325 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.228 7.454 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.356 11.243 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.857 9.306 0.432 1.00 0.00 H new ATOM 138 N VAL A 12 -3.852 9.801 2.095 1.00 0.00 N ATOM 139 CA VAL A 12 -2.550 10.302 2.519 1.00 0.00 C ATOM 140 C VAL A 12 -2.601 11.801 2.794 1.00 0.00 C ATOM 141 O VAL A 12 -2.625 12.613 1.870 1.00 0.00 O ATOM 142 CB VAL A 12 -1.468 10.023 1.459 1.00 0.00 C ATOM 143 CG1 VAL A 12 -0.105 10.482 1.953 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.444 8.546 1.099 1.00 0.00 C ATOM 0 H VAL A 12 -4.012 9.841 1.088 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.292 9.775 3.438 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.711 10.589 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.646 10.277 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.133 11.553 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.150 9.946 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.674 8.367 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.226 7.958 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.415 8.253 0.699 1.00 0.00 H new ATOM 154 N LYS A 13 -2.618 12.162 4.073 1.00 0.00 N ATOM 155 CA LYS A 13 -2.664 13.563 4.473 1.00 0.00 C ATOM 156 C LYS A 13 -1.276 14.192 4.413 1.00 0.00 C ATOM 157 O LYS A 13 -0.344 13.724 5.065 1.00 0.00 O ATOM 158 CB LYS A 13 -3.235 13.693 5.887 1.00 0.00 C ATOM 159 CG LYS A 13 -3.190 15.109 6.433 1.00 0.00 C ATOM 160 CD LYS A 13 -3.674 15.168 7.872 1.00 0.00 C ATOM 161 CE LYS A 13 -3.588 16.579 8.433 1.00 0.00 C ATOM 162 NZ LYS A 13 -2.176 17.023 8.602 1.00 0.00 N ATOM 0 H LYS A 13 -2.601 11.502 4.851 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.313 14.093 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.268 13.346 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.679 13.037 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.170 15.490 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.808 15.759 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.705 14.817 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.076 14.494 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.108 17.267 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.099 16.619 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.153 17.904 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.638 16.287 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.750 17.188 7.668 1.00 0.00 H new ATOM 176 N ASN A 14 -1.147 15.257 3.629 1.00 0.00 N ATOM 177 CA ASN A 14 0.128 15.951 3.486 1.00 0.00 C ATOM 178 C ASN A 14 0.308 16.991 4.588 1.00 0.00 C ATOM 179 O ASN A 14 -0.657 17.531 5.130 1.00 0.00 O ATOM 180 CB ASN A 14 0.214 16.625 2.115 1.00 0.00 C ATOM 181 CG ASN A 14 -0.269 15.722 0.996 1.00 0.00 C ATOM 182 OD1 ASN A 14 0.239 14.616 0.812 1.00 0.00 O ATOM 183 ND2 ASN A 14 -1.256 16.192 0.242 1.00 0.00 N ATOM 0 H ASN A 14 -1.909 15.658 3.083 1.00 0.00 H new ATOM 0 HA ASN A 14 0.926 15.214 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.381 17.538 2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.246 16.919 1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.623 15.630 -0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.647 17.115 0.431 1.00 0.00 H new ATOM 190 N PRO A 15 1.573 17.280 4.927 1.00 0.00 N ATOM 191 CA PRO A 15 1.910 18.258 5.966 1.00 0.00 C ATOM 192 C PRO A 15 1.594 19.688 5.541 1.00 0.00 C ATOM 193 O PRO A 15 1.491 20.586 6.377 1.00 0.00 O ATOM 194 CB PRO A 15 3.418 18.075 6.149 1.00 0.00 C ATOM 195 CG PRO A 15 3.894 17.526 4.849 1.00 0.00 C ATOM 196 CD PRO A 15 2.772 16.675 4.323 1.00 0.00 C ATOM 0 HA PRO A 15 1.334 18.099 6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.906 19.021 6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.637 17.393 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.135 18.328 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.801 16.937 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.728 16.696 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.887 15.632 4.617 1.00 0.00 H new ATOM 204 N ASP A 16 1.440 19.892 4.238 1.00 0.00 N ATOM 205 CA ASP A 16 1.134 21.213 3.702 1.00 0.00 C ATOM 206 C ASP A 16 -0.266 21.656 4.114 1.00 0.00 C ATOM 207 O ASP A 16 -0.460 22.774 4.589 1.00 0.00 O ATOM 208 CB ASP A 16 1.252 21.208 2.177 1.00 0.00 C ATOM 209 CG ASP A 16 2.588 20.671 1.701 1.00 0.00 C ATOM 210 OD1 ASP A 16 2.937 19.532 2.077 1.00 0.00 O ATOM 211 OD2 ASP A 16 3.283 21.389 0.953 1.00 0.00 O ATOM 0 H ASP A 16 1.522 19.159 3.533 1.00 0.00 H new ATOM 0 HA ASP A 16 1.855 21.920 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.449 20.603 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.117 22.222 1.802 1.00 0.00 H new ATOM 216 N GLY A 17 -1.241 20.770 3.929 1.00 0.00 N ATOM 217 CA GLY A 17 -2.611 21.089 4.286 1.00 0.00 C ATOM 218 C GLY A 17 -3.617 20.445 3.353 1.00 0.00 C ATOM 219 O GLY A 17 -4.354 21.137 2.651 1.00 0.00 O ATOM 0 H GLY A 17 -1.106 19.837 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.804 20.759 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.745 22.171 4.270 1.00 0.00 H new ATOM 223 N GLY A 18 -3.648 19.116 3.343 1.00 0.00 N ATOM 224 CA GLY A 18 -4.574 18.402 2.484 1.00 0.00 C ATOM 225 C GLY A 18 -4.438 16.897 2.608 1.00 0.00 C ATOM 226 O GLY A 18 -3.728 16.402 3.483 1.00 0.00 O ATOM 0 H GLY A 18 -3.048 18.521 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.594 18.693 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.403 18.695 1.448 1.00 0.00 H new ATOM 230 N SER A 19 -5.120 16.168 1.731 1.00 0.00 N ATOM 231 CA SER A 19 -5.075 14.711 1.749 1.00 0.00 C ATOM 232 C SER A 19 -5.493 14.137 0.399 1.00 0.00 C ATOM 233 O SER A 19 -6.479 14.573 -0.196 1.00 0.00 O ATOM 234 CB SER A 19 -5.986 14.166 2.851 1.00 0.00 C ATOM 235 OG SER A 19 -7.318 14.622 2.684 1.00 0.00 O ATOM 0 H SER A 19 -5.710 16.563 0.999 1.00 0.00 H new ATOM 0 HA SER A 19 -4.048 14.406 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.967 13.076 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.611 14.479 3.825 1.00 0.00 H new ATOM 0 HG SER A 19 -7.880 14.259 3.400 1.00 0.00 H new ATOM 241 N TYR A 20 -4.735 13.157 -0.080 1.00 0.00 N ATOM 242 CA TYR A 20 -5.024 12.524 -1.362 1.00 0.00 C ATOM 243 C TYR A 20 -5.463 11.076 -1.168 1.00 0.00 C ATOM 244 O TYR A 20 -5.170 10.459 -0.144 1.00 0.00 O ATOM 245 CB TYR A 20 -3.794 12.579 -2.270 1.00 0.00 C ATOM 246 CG TYR A 20 -3.258 13.977 -2.480 1.00 0.00 C ATOM 247 CD1 TYR A 20 -4.113 15.072 -2.521 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.896 14.204 -2.637 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.628 16.350 -2.713 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.402 15.480 -2.828 1.00 0.00 C ATOM 251 CZ TYR A 20 -2.272 16.550 -2.866 1.00 0.00 C ATOM 252 OH TYR A 20 -1.785 17.822 -3.056 1.00 0.00 O ATOM 0 H TYR A 20 -3.916 12.784 0.400 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.840 13.072 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.008 11.958 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.048 12.147 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.175 14.920 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.212 13.369 -2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.307 17.189 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.340 15.639 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.810 17.789 -3.145 1.00 0.00 H new ATOM 262 N ALA A 21 -6.166 10.540 -2.160 1.00 0.00 N ATOM 263 CA ALA A 21 -6.644 9.164 -2.101 1.00 0.00 C ATOM 264 C ALA A 21 -5.803 8.253 -2.988 1.00 0.00 C ATOM 265 O ALA A 21 -5.886 8.315 -4.215 1.00 0.00 O ATOM 266 CB ALA A 21 -8.108 9.096 -2.509 1.00 0.00 C ATOM 0 H ALA A 21 -6.417 11.038 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.548 8.816 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.452 8.063 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.703 9.709 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.220 9.468 -3.528 1.00 0.00 H new ATOM 272 N TYR A 22 -4.993 7.407 -2.360 1.00 0.00 N ATOM 273 CA TYR A 22 -4.134 6.485 -3.093 1.00 0.00 C ATOM 274 C TYR A 22 -4.746 5.089 -3.138 1.00 0.00 C ATOM 275 O TYR A 22 -5.495 4.699 -2.243 1.00 0.00 O ATOM 276 CB TYR A 22 -2.747 6.426 -2.450 1.00 0.00 C ATOM 277 CG TYR A 22 -1.861 7.596 -2.812 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.020 8.831 -2.196 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.864 7.467 -3.771 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.213 9.903 -2.524 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.051 8.533 -4.105 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.230 9.749 -3.479 1.00 0.00 C ATOM 283 OH TYR A 22 0.577 10.814 -3.808 1.00 0.00 O ATOM 0 H TYR A 22 -4.914 7.341 -1.345 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.038 6.853 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.860 6.388 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.255 5.501 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.788 8.955 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.722 6.517 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.351 10.856 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.720 8.415 -4.852 1.00 0.00 H new ATOM 0 HH TYR A 22 0.679 11.400 -3.029 1.00 0.00 H new ATOM 293 N ALA A 23 -4.420 4.340 -4.186 1.00 0.00 N ATOM 294 CA ALA A 23 -4.935 2.986 -4.348 1.00 0.00 C ATOM 295 C ALA A 23 -3.798 1.972 -4.429 1.00 0.00 C ATOM 296 O ALA A 23 -2.913 2.085 -5.277 1.00 0.00 O ATOM 297 CB ALA A 23 -5.812 2.899 -5.588 1.00 0.00 C ATOM 0 H ALA A 23 -3.801 4.648 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.539 2.747 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.189 1.882 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.650 3.589 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.225 3.164 -6.468 1.00 0.00 H new ATOM 303 N ILE A 24 -3.829 0.984 -3.541 1.00 0.00 N ATOM 304 CA ILE A 24 -2.801 -0.049 -3.513 1.00 0.00 C ATOM 305 C ILE A 24 -3.336 -1.341 -2.906 1.00 0.00 C ATOM 306 O ILE A 24 -4.238 -1.319 -2.070 1.00 0.00 O ATOM 307 CB ILE A 24 -1.566 0.407 -2.714 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.702 -0.798 -2.337 1.00 0.00 C ATOM 309 CG2 ILE A 24 -1.993 1.170 -1.468 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.627 -0.420 -1.721 1.00 0.00 C ATOM 0 H ILE A 24 -4.554 0.877 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.508 -0.230 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.973 1.074 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.253 -1.425 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.522 -1.399 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.109 1.486 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.571 2.047 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.605 0.524 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.186 -1.324 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.198 0.181 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.456 0.155 -0.811 1.00 0.00 H new ATOM 322 N ASN A 25 -2.773 -2.467 -3.332 1.00 0.00 N ATOM 323 CA ASN A 25 -3.193 -3.770 -2.830 1.00 0.00 C ATOM 324 C ASN A 25 -2.823 -3.930 -1.358 1.00 0.00 C ATOM 325 O ASN A 25 -1.750 -3.523 -0.914 1.00 0.00 O ATOM 326 CB ASN A 25 -2.551 -4.888 -3.653 1.00 0.00 C ATOM 327 CG ASN A 25 -3.322 -6.191 -3.558 1.00 0.00 C ATOM 328 OD1 ASN A 25 -4.291 -6.407 -4.286 1.00 0.00 O ATOM 329 ND2 ASN A 25 -2.893 -7.068 -2.657 1.00 0.00 N ATOM 0 H ASN A 25 -2.024 -2.503 -4.024 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.277 -3.836 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.492 -4.579 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.529 -5.048 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.371 -7.962 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.085 -6.847 -2.075 1.00 0.00 H new ATOM 336 N PRO A 26 -3.733 -4.539 -0.583 1.00 0.00 N ATOM 337 CA PRO A 26 -3.525 -4.769 0.850 1.00 0.00 C ATOM 338 C PRO A 26 -2.450 -5.817 1.119 1.00 0.00 C ATOM 339 O PRO A 26 -1.636 -5.665 2.029 1.00 0.00 O ATOM 340 CB PRO A 26 -4.890 -5.267 1.331 1.00 0.00 C ATOM 341 CG PRO A 26 -5.524 -5.863 0.122 1.00 0.00 C ATOM 342 CD PRO A 26 -5.034 -5.051 -1.045 1.00 0.00 C ATOM 0 HA PRO A 26 -3.180 -3.870 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.784 -6.004 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.491 -4.450 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.246 -6.911 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.611 -5.827 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.930 -5.660 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.721 -4.241 -1.287 1.00 0.00 H new ATOM 350 N ASN A 27 -2.453 -6.879 0.321 1.00 0.00 N ATOM 351 CA ASN A 27 -1.478 -7.953 0.473 1.00 0.00 C ATOM 352 C ASN A 27 -0.075 -7.467 0.121 1.00 0.00 C ATOM 353 O ASN A 27 0.920 -8.035 0.571 1.00 0.00 O ATOM 354 CB ASN A 27 -1.855 -9.143 -0.412 1.00 0.00 C ATOM 355 CG ASN A 27 -1.391 -10.465 0.168 1.00 0.00 C ATOM 356 OD1 ASN A 27 -0.192 -10.722 0.276 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.342 -11.311 0.545 1.00 0.00 N ATOM 0 H ASN A 27 -3.120 -7.019 -0.438 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.483 -8.270 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.937 -9.167 -0.543 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.417 -9.010 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.091 -12.216 0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.324 -11.056 0.437 1.00 0.00 H new ATOM 364 N SER A 28 -0.005 -6.413 -0.685 1.00 0.00 N ATOM 365 CA SER A 28 1.276 -5.853 -1.101 1.00 0.00 C ATOM 366 C SER A 28 1.985 -5.187 0.075 1.00 0.00 C ATOM 367 O SER A 28 1.345 -4.736 1.026 1.00 0.00 O ATOM 368 CB SER A 28 1.071 -4.838 -2.227 1.00 0.00 C ATOM 369 OG SER A 28 2.309 -4.461 -2.805 1.00 0.00 O ATOM 0 H SER A 28 -0.820 -5.929 -1.063 1.00 0.00 H new ATOM 0 HA SER A 28 1.900 -6.669 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.424 -5.265 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.564 -3.955 -1.837 1.00 0.00 H new ATOM 0 HG SER A 28 2.151 -3.813 -3.523 1.00 0.00 H new ATOM 375 N PHE A 29 3.310 -5.130 0.004 1.00 0.00 N ATOM 376 CA PHE A 29 4.108 -4.521 1.062 1.00 0.00 C ATOM 377 C PHE A 29 3.819 -3.027 1.168 1.00 0.00 C ATOM 378 O PHE A 29 3.279 -2.421 0.243 1.00 0.00 O ATOM 379 CB PHE A 29 5.598 -4.747 0.801 1.00 0.00 C ATOM 380 CG PHE A 29 6.017 -6.184 0.924 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.799 -6.884 2.100 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.629 -6.835 -0.135 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.185 -8.206 2.217 1.00 0.00 C ATOM 384 CE2 PHE A 29 7.016 -8.157 -0.024 1.00 0.00 C ATOM 385 CZ PHE A 29 6.793 -8.844 1.153 1.00 0.00 C ATOM 0 H PHE A 29 3.855 -5.498 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 29 3.837 -4.994 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.842 -4.390 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.177 -4.147 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.322 -6.391 2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.806 -6.303 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.011 -8.740 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.492 -8.652 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.093 -9.878 1.242 1.00 0.00 H new ATOM 395 N ILE A 30 4.184 -2.439 2.303 1.00 0.00 N ATOM 396 CA ILE A 30 3.965 -1.016 2.531 1.00 0.00 C ATOM 397 C ILE A 30 4.706 -0.174 1.498 1.00 0.00 C ATOM 398 O ILE A 30 4.135 0.741 0.902 1.00 0.00 O ATOM 399 CB ILE A 30 4.419 -0.596 3.941 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.587 -1.314 5.005 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.309 0.913 4.105 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.162 -0.815 5.096 1.00 0.00 C ATOM 0 H ILE A 30 4.633 -2.926 3.079 1.00 0.00 H new ATOM 0 HA ILE A 30 2.893 -0.842 2.437 1.00 0.00 H new ATOM 0 HB ILE A 30 5.463 -0.882 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.576 -2.382 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.069 -1.192 5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.633 1.195 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.941 1.406 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.273 1.220 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.631 -1.369 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.163 0.246 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.663 -0.962 4.138 1.00 0.00 H new ATOM 414 N LEU A 31 5.979 -0.490 1.289 1.00 0.00 N ATOM 415 CA LEU A 31 6.799 0.237 0.326 1.00 0.00 C ATOM 416 C LEU A 31 5.984 0.617 -0.906 1.00 0.00 C ATOM 417 O LEU A 31 5.995 1.768 -1.340 1.00 0.00 O ATOM 418 CB LEU A 31 8.005 -0.608 -0.087 1.00 0.00 C ATOM 419 CG LEU A 31 9.014 0.070 -1.014 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.876 1.054 -0.238 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.883 -0.969 -1.709 1.00 0.00 C ATOM 0 H LEU A 31 6.466 -1.244 1.773 1.00 0.00 H new ATOM 0 HA LEU A 31 7.150 1.152 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.527 -0.925 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.640 -1.510 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 31 8.463 0.622 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.588 1.526 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.241 1.818 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.417 0.524 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.595 -0.468 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.424 -1.549 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.253 -1.635 -2.299 1.00 0.00 H new ATOM 433 N GLY A 32 5.275 -0.360 -1.465 1.00 0.00 N ATOM 434 CA GLY A 32 4.463 -0.108 -2.641 1.00 0.00 C ATOM 435 C GLY A 32 3.698 1.198 -2.548 1.00 0.00 C ATOM 436 O GLY A 32 3.627 1.955 -3.517 1.00 0.00 O ATOM 0 H GLY A 32 5.249 -1.321 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.103 -0.089 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.759 -0.929 -2.776 1.00 0.00 H new ATOM 440 N LEU A 33 3.123 1.463 -1.380 1.00 0.00 N ATOM 441 CA LEU A 33 2.358 2.686 -1.164 1.00 0.00 C ATOM 442 C LEU A 33 3.258 3.914 -1.254 1.00 0.00 C ATOM 443 O LEU A 33 2.906 4.910 -1.887 1.00 0.00 O ATOM 444 CB LEU A 33 1.668 2.645 0.201 1.00 0.00 C ATOM 445 CG LEU A 33 1.030 3.953 0.670 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.027 4.456 -0.357 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.360 3.765 2.023 1.00 0.00 C ATOM 0 H LEU A 33 3.172 0.847 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 33 1.601 2.755 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.895 1.877 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.400 2.333 0.946 1.00 0.00 H new ATOM 0 HG LEU A 33 1.816 4.700 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.417 5.388 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.534 4.631 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.756 3.711 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.089 4.706 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.415 3.003 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.103 3.451 2.756 1.00 0.00 H new ATOM 459 N LYS A 34 4.422 3.837 -0.619 1.00 0.00 N ATOM 460 CA LYS A 34 5.375 4.940 -0.630 1.00 0.00 C ATOM 461 C LYS A 34 5.792 5.285 -2.056 1.00 0.00 C ATOM 462 O LYS A 34 5.628 6.420 -2.502 1.00 0.00 O ATOM 463 CB LYS A 34 6.610 4.582 0.201 1.00 0.00 C ATOM 464 CG LYS A 34 6.494 4.976 1.663 1.00 0.00 C ATOM 465 CD LYS A 34 5.766 3.914 2.470 1.00 0.00 C ATOM 466 CE LYS A 34 6.230 3.898 3.919 1.00 0.00 C ATOM 467 NZ LYS A 34 6.332 5.273 4.483 1.00 0.00 N ATOM 0 H LYS A 34 4.729 3.021 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 34 4.889 5.811 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.783 3.508 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.483 5.072 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.489 5.132 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.963 5.924 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.693 4.100 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.936 2.935 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.533 3.311 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.200 3.405 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.333 5.548 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.829 5.940 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.905 5.292 5.431 1.00 0.00 H new ATOM 481 N GLN A 35 6.330 4.298 -2.766 1.00 0.00 N ATOM 482 CA GLN A 35 6.769 4.499 -4.142 1.00 0.00 C ATOM 483 C GLN A 35 5.802 5.407 -4.895 1.00 0.00 C ATOM 484 O GLN A 35 6.215 6.372 -5.537 1.00 0.00 O ATOM 485 CB GLN A 35 6.891 3.155 -4.862 1.00 0.00 C ATOM 486 CG GLN A 35 7.954 3.140 -5.947 1.00 0.00 C ATOM 487 CD GLN A 35 7.690 4.160 -7.037 1.00 0.00 C ATOM 488 OE1 GLN A 35 6.540 4.473 -7.345 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.757 4.686 -7.628 1.00 0.00 N ATOM 0 H GLN A 35 6.472 3.352 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 35 7.747 4.980 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.120 2.380 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.928 2.901 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.928 3.337 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.002 2.145 -6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.693 4.398 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.641 5.378 -8.368 1.00 0.00 H new ATOM 498 N GLN A 36 4.514 5.090 -4.811 1.00 0.00 N ATOM 499 CA GLN A 36 3.488 5.877 -5.486 1.00 0.00 C ATOM 500 C GLN A 36 3.577 7.346 -5.084 1.00 0.00 C ATOM 501 O GLN A 36 3.416 8.238 -5.917 1.00 0.00 O ATOM 502 CB GLN A 36 2.098 5.330 -5.159 1.00 0.00 C ATOM 503 CG GLN A 36 1.724 4.097 -5.966 1.00 0.00 C ATOM 504 CD GLN A 36 0.227 3.863 -6.014 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.499 4.553 -6.730 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.244 2.884 -5.249 1.00 0.00 N ATOM 0 H GLN A 36 4.156 4.294 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 36 3.656 5.802 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.053 5.087 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.358 6.110 -5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.104 4.203 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.211 3.223 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.394 2.337 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.243 2.680 -5.240 1.00 0.00 H new ATOM 515 N ILE A 37 3.834 7.589 -3.803 1.00 0.00 N ATOM 516 CA ILE A 37 3.944 8.949 -3.292 1.00 0.00 C ATOM 517 C ILE A 37 5.234 9.611 -3.764 1.00 0.00 C ATOM 518 O ILE A 37 5.282 10.823 -3.970 1.00 0.00 O ATOM 519 CB ILE A 37 3.900 8.978 -1.752 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.619 8.313 -1.245 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.998 10.409 -1.246 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.734 7.777 0.165 1.00 0.00 C ATOM 0 H ILE A 37 3.970 6.862 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 37 3.090 9.502 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 37 4.753 8.419 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.804 9.035 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.354 7.495 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.966 10.413 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.936 10.850 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.163 10.991 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.789 7.319 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.527 7.031 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.969 8.594 0.847 1.00 0.00 H new ATOM 534 N GLU A 38 6.278 8.805 -3.936 1.00 0.00 N ATOM 535 CA GLU A 38 7.569 9.314 -4.386 1.00 0.00 C ATOM 536 C GLU A 38 7.518 9.695 -5.863 1.00 0.00 C ATOM 537 O GLU A 38 8.214 10.611 -6.302 1.00 0.00 O ATOM 538 CB GLU A 38 8.662 8.269 -4.154 1.00 0.00 C ATOM 539 CG GLU A 38 9.933 8.532 -4.945 1.00 0.00 C ATOM 540 CD GLU A 38 10.910 7.374 -4.881 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.511 6.241 -5.219 1.00 0.00 O ATOM 542 OE2 GLU A 38 12.075 7.603 -4.492 1.00 0.00 O ATOM 0 H GLU A 38 6.255 7.799 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 38 7.802 10.207 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.905 8.239 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.275 7.285 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.675 8.728 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.415 9.431 -4.562 1.00 0.00 H new ATOM 549 N ASP A 39 6.692 8.985 -6.623 1.00 0.00 N ATOM 550 CA ASP A 39 6.550 9.248 -8.050 1.00 0.00 C ATOM 551 C ASP A 39 5.487 10.312 -8.303 1.00 0.00 C ATOM 552 O ASP A 39 5.516 11.001 -9.323 1.00 0.00 O ATOM 553 CB ASP A 39 6.188 7.961 -8.794 1.00 0.00 C ATOM 554 CG ASP A 39 7.410 7.144 -9.164 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.439 7.266 -8.467 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.337 6.382 -10.151 1.00 0.00 O ATOM 0 H ASP A 39 6.111 8.223 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 39 7.505 9.618 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.526 7.359 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.634 8.211 -9.699 1.00 0.00 H new ATOM 561 N GLN A 40 4.550 10.440 -7.369 1.00 0.00 N ATOM 562 CA GLN A 40 3.477 11.419 -7.493 1.00 0.00 C ATOM 563 C GLN A 40 3.910 12.774 -6.943 1.00 0.00 C ATOM 564 O GLN A 40 3.840 13.787 -7.639 1.00 0.00 O ATOM 565 CB GLN A 40 2.227 10.933 -6.757 1.00 0.00 C ATOM 566 CG GLN A 40 1.358 10.000 -7.584 1.00 0.00 C ATOM 567 CD GLN A 40 -0.109 10.083 -7.211 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.622 11.159 -6.902 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.792 8.945 -7.237 1.00 0.00 N ATOM 0 H GLN A 40 4.512 9.878 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 40 3.245 11.534 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.530 10.420 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.634 11.797 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.474 10.243 -8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.705 8.975 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.326 8.076 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.783 8.939 -6.995 1.00 0.00 H new ATOM 578 N GLN A 41 4.357 12.784 -5.692 1.00 0.00 N ATOM 579 CA GLN A 41 4.801 14.015 -5.049 1.00 0.00 C ATOM 580 C GLN A 41 6.237 14.347 -5.442 1.00 0.00 C ATOM 581 O GLN A 41 6.603 15.515 -5.566 1.00 0.00 O ATOM 582 CB GLN A 41 4.692 13.890 -3.529 1.00 0.00 C ATOM 583 CG GLN A 41 3.287 13.571 -3.044 1.00 0.00 C ATOM 584 CD GLN A 41 2.398 14.798 -2.984 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.704 15.124 -3.947 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.414 15.485 -1.848 1.00 0.00 N ATOM 0 H GLN A 41 4.421 11.954 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 41 4.154 14.825 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.371 13.109 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.022 14.823 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.837 12.833 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.342 13.118 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.005 15.179 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.836 16.319 -1.748 1.00 0.00 H new ATOM 595 N GLY A 42 7.047 13.311 -5.637 1.00 0.00 N ATOM 596 CA GLY A 42 8.434 13.514 -6.013 1.00 0.00 C ATOM 597 C GLY A 42 9.371 13.467 -4.822 1.00 0.00 C ATOM 598 O GLY A 42 10.582 13.631 -4.968 1.00 0.00 O ATOM 0 H GLY A 42 6.767 12.335 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.728 12.750 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.534 14.478 -6.512 1.00 0.00 H new ATOM 602 N LEU A 43 8.810 13.242 -3.639 1.00 0.00 N ATOM 603 CA LEU A 43 9.603 13.175 -2.416 1.00 0.00 C ATOM 604 C LEU A 43 10.158 11.771 -2.204 1.00 0.00 C ATOM 605 O LEU A 43 9.484 10.768 -2.438 1.00 0.00 O ATOM 606 CB LEU A 43 8.755 13.589 -1.212 1.00 0.00 C ATOM 607 CG LEU A 43 9.499 14.298 -0.079 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.569 15.251 0.655 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.096 13.284 0.885 1.00 0.00 C ATOM 0 H LEU A 43 7.809 13.103 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 43 10.441 13.865 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.958 14.245 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.278 12.697 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 43 10.313 14.879 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.115 15.746 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.190 15.999 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.734 14.692 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.621 13.807 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.299 12.675 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.796 12.642 0.350 1.00 0.00 H new ATOM 621 N PRO A 44 11.417 11.695 -1.747 1.00 0.00 N ATOM 622 CA PRO A 44 12.090 10.418 -1.490 1.00 0.00 C ATOM 623 C PRO A 44 11.506 9.687 -0.287 1.00 0.00 C ATOM 624 O PRO A 44 10.988 10.310 0.640 1.00 0.00 O ATOM 625 CB PRO A 44 13.539 10.830 -1.214 1.00 0.00 C ATOM 626 CG PRO A 44 13.446 12.234 -0.724 1.00 0.00 C ATOM 627 CD PRO A 44 12.281 12.849 -1.447 1.00 0.00 C ATOM 0 HA PRO A 44 11.981 9.725 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.000 10.181 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.148 10.765 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.294 12.261 0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.366 12.781 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.768 13.585 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.597 13.361 -2.356 1.00 0.00 H new ATOM 635 N LYS A 45 11.594 8.361 -0.306 1.00 0.00 N ATOM 636 CA LYS A 45 11.075 7.544 0.784 1.00 0.00 C ATOM 637 C LYS A 45 11.944 7.684 2.030 1.00 0.00 C ATOM 638 O LYS A 45 11.457 7.573 3.155 1.00 0.00 O ATOM 639 CB LYS A 45 11.007 6.075 0.360 1.00 0.00 C ATOM 640 CG LYS A 45 10.391 5.866 -1.012 1.00 0.00 C ATOM 641 CD LYS A 45 10.486 4.414 -1.451 1.00 0.00 C ATOM 642 CE LYS A 45 11.787 4.139 -2.189 1.00 0.00 C ATOM 643 NZ LYS A 45 11.737 4.617 -3.599 1.00 0.00 N ATOM 0 H LYS A 45 12.020 7.829 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 45 10.071 7.895 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.014 5.657 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.428 5.519 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.345 6.174 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.897 6.501 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.417 3.764 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.642 4.172 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.610 4.629 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.993 3.069 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.731 3.800 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.874 5.178 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.571 5.207 -3.795 1.00 0.00 H new ATOM 657 N LYS A 46 13.233 7.931 1.822 1.00 0.00 N ATOM 658 CA LYS A 46 14.170 8.089 2.928 1.00 0.00 C ATOM 659 C LYS A 46 13.858 9.349 3.729 1.00 0.00 C ATOM 660 O LYS A 46 14.490 9.619 4.750 1.00 0.00 O ATOM 661 CB LYS A 46 15.606 8.150 2.402 1.00 0.00 C ATOM 662 CG LYS A 46 15.837 9.260 1.392 1.00 0.00 C ATOM 663 CD LYS A 46 17.286 9.720 1.390 1.00 0.00 C ATOM 664 CE LYS A 46 17.536 10.779 2.453 1.00 0.00 C ATOM 665 NZ LYS A 46 18.958 10.800 2.891 1.00 0.00 N ATOM 0 H LYS A 46 13.653 8.026 0.897 1.00 0.00 H new ATOM 0 HA LYS A 46 14.066 7.226 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.286 8.288 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.857 7.194 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.564 8.910 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.187 10.104 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.940 8.866 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.540 10.121 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.262 11.759 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.894 10.589 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.087 11.535 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.213 9.873 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.569 11.007 2.075 1.00 0.00 H new ATOM 679 N GLN A 47 12.878 10.116 3.260 1.00 0.00 N ATOM 680 CA GLN A 47 12.482 11.346 3.935 1.00 0.00 C ATOM 681 C GLN A 47 11.059 11.239 4.472 1.00 0.00 C ATOM 682 O GLN A 47 10.791 11.592 5.620 1.00 0.00 O ATOM 683 CB GLN A 47 12.591 12.535 2.978 1.00 0.00 C ATOM 684 CG GLN A 47 14.017 13.018 2.767 1.00 0.00 C ATOM 685 CD GLN A 47 14.080 14.368 2.079 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.088 15.096 2.023 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.249 14.709 1.551 1.00 0.00 N ATOM 0 H GLN A 47 12.345 9.907 2.416 1.00 0.00 H new ATOM 0 HA GLN A 47 13.157 11.502 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.165 12.255 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.991 13.358 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.521 13.082 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.560 12.285 2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.045 14.075 1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.352 15.605 1.075 1.00 0.00 H new ATOM 696 N GLN A 48 10.151 10.750 3.634 1.00 0.00 N ATOM 697 CA GLN A 48 8.754 10.598 4.025 1.00 0.00 C ATOM 698 C GLN A 48 8.589 9.451 5.017 1.00 0.00 C ATOM 699 O GLN A 48 9.246 8.417 4.899 1.00 0.00 O ATOM 700 CB GLN A 48 7.881 10.352 2.793 1.00 0.00 C ATOM 701 CG GLN A 48 7.725 8.881 2.442 1.00 0.00 C ATOM 702 CD GLN A 48 6.988 8.669 1.134 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.771 8.481 1.118 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.723 8.697 0.029 1.00 0.00 N ATOM 0 H GLN A 48 10.357 10.452 2.680 1.00 0.00 H new ATOM 0 HA GLN A 48 8.435 11.522 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.895 10.783 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.313 10.876 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.711 8.420 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.187 8.375 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.729 8.856 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.282 8.560 -0.880 1.00 0.00 H new ATOM 713 N GLN A 49 7.708 9.643 5.993 1.00 0.00 N ATOM 714 CA GLN A 49 7.458 8.624 7.006 1.00 0.00 C ATOM 715 C GLN A 49 5.987 8.605 7.408 1.00 0.00 C ATOM 716 O GLN A 49 5.485 9.555 8.012 1.00 0.00 O ATOM 717 CB GLN A 49 8.332 8.873 8.237 1.00 0.00 C ATOM 718 CG GLN A 49 8.269 7.754 9.264 1.00 0.00 C ATOM 719 CD GLN A 49 9.433 7.787 10.235 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.683 8.801 10.888 1.00 0.00 O ATOM 721 NE2 GLN A 49 10.153 6.676 10.335 1.00 0.00 N ATOM 0 H GLN A 49 7.156 10.493 6.104 1.00 0.00 H new ATOM 0 HA GLN A 49 7.712 7.654 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.366 9.004 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.023 9.806 8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.335 7.829 9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.258 6.793 8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.910 5.859 9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.949 6.640 10.972 1.00 0.00 H new ATOM 730 N LEU A 50 5.300 7.520 7.069 1.00 0.00 N ATOM 731 CA LEU A 50 3.885 7.378 7.394 1.00 0.00 C ATOM 732 C LEU A 50 3.701 6.620 8.705 1.00 0.00 C ATOM 733 O LEU A 50 4.479 5.723 9.029 1.00 0.00 O ATOM 734 CB LEU A 50 3.152 6.651 6.265 1.00 0.00 C ATOM 735 CG LEU A 50 3.325 7.240 4.864 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.157 6.161 3.807 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.333 8.372 4.637 1.00 0.00 C ATOM 0 H LEU A 50 5.700 6.726 6.569 1.00 0.00 H new ATOM 0 HA LEU A 50 3.463 8.376 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.491 5.615 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.088 6.634 6.501 1.00 0.00 H new ATOM 0 HG LEU A 50 4.334 7.645 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.283 6.599 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.906 5.384 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.161 5.726 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.469 8.780 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.317 7.991 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.501 9.157 5.375 1.00 0.00 H new ATOM 749 N GLU A 51 2.665 6.986 9.454 1.00 0.00 N ATOM 750 CA GLU A 51 2.379 6.339 10.729 1.00 0.00 C ATOM 751 C GLU A 51 0.886 6.061 10.875 1.00 0.00 C ATOM 752 O GLU A 51 0.065 6.615 10.143 1.00 0.00 O ATOM 753 CB GLU A 51 2.861 7.213 11.889 1.00 0.00 C ATOM 754 CG GLU A 51 4.374 7.277 12.014 1.00 0.00 C ATOM 755 CD GLU A 51 4.855 8.579 12.625 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.962 9.578 11.884 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.123 8.598 13.845 1.00 0.00 O ATOM 0 H GLU A 51 2.011 7.726 9.200 1.00 0.00 H new ATOM 0 HA GLU A 51 2.912 5.389 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.473 8.223 11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.444 6.829 12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.720 6.444 12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.822 7.156 11.028 1.00 0.00 H new ATOM 764 N PHE A 52 0.541 5.197 11.824 1.00 0.00 N ATOM 765 CA PHE A 52 -0.853 4.843 12.066 1.00 0.00 C ATOM 766 C PHE A 52 -1.084 4.515 13.538 1.00 0.00 C ATOM 767 O PHE A 52 -0.461 3.605 14.086 1.00 0.00 O ATOM 768 CB PHE A 52 -1.257 3.651 11.196 1.00 0.00 C ATOM 769 CG PHE A 52 -2.732 3.369 11.213 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.634 4.295 10.714 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.217 2.177 11.727 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.992 4.038 10.730 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.574 1.914 11.745 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.462 2.845 11.244 1.00 0.00 C ATOM 0 H PHE A 52 1.208 4.729 12.438 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.471 5.702 11.803 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.943 3.838 10.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.722 2.765 11.537 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.272 5.228 10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.526 1.445 12.118 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.685 4.769 10.341 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.939 0.982 12.150 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.522 2.641 11.254 1.00 0.00 H new ATOM 784 N GLN A 53 -1.982 5.262 14.172 1.00 0.00 N ATOM 785 CA GLN A 53 -2.293 5.051 15.580 1.00 0.00 C ATOM 786 C GLN A 53 -1.034 5.139 16.436 1.00 0.00 C ATOM 787 O GLN A 53 -0.925 4.478 17.468 1.00 0.00 O ATOM 788 CB GLN A 53 -2.964 3.690 15.778 1.00 0.00 C ATOM 789 CG GLN A 53 -4.237 3.515 14.965 1.00 0.00 C ATOM 790 CD GLN A 53 -5.174 4.701 15.086 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.152 5.425 16.082 1.00 0.00 O ATOM 792 NE2 GLN A 53 -6.003 4.906 14.069 1.00 0.00 N ATOM 0 H GLN A 53 -2.507 6.018 13.733 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.980 5.837 15.895 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.259 2.904 15.507 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.197 3.559 16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.977 3.368 13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.753 2.614 15.295 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.987 4.280 13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.656 5.689 14.093 1.00 0.00 H new ATOM 801 N GLY A 54 -0.084 5.960 15.999 1.00 0.00 N ATOM 802 CA GLY A 54 1.156 6.119 16.736 1.00 0.00 C ATOM 803 C GLY A 54 2.119 4.972 16.504 1.00 0.00 C ATOM 804 O GLY A 54 2.695 4.437 17.451 1.00 0.00 O ATOM 0 H GLY A 54 -0.151 6.518 15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.632 7.054 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.935 6.194 17.801 1.00 0.00 H new ATOM 808 N GLN A 55 2.293 4.592 15.243 1.00 0.00 N ATOM 809 CA GLN A 55 3.192 3.499 14.891 1.00 0.00 C ATOM 810 C GLN A 55 3.978 3.826 13.625 1.00 0.00 C ATOM 811 O GLN A 55 3.529 4.609 12.788 1.00 0.00 O ATOM 812 CB GLN A 55 2.402 2.204 14.695 1.00 0.00 C ATOM 813 CG GLN A 55 1.565 1.813 15.903 1.00 0.00 C ATOM 814 CD GLN A 55 1.175 0.348 15.893 1.00 0.00 C ATOM 815 OE1 GLN A 55 1.625 -0.431 16.733 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.334 -0.035 14.939 1.00 0.00 N ATOM 0 H GLN A 55 1.823 5.025 14.448 1.00 0.00 H new ATOM 0 HA GLN A 55 3.898 3.365 15.710 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.748 2.315 13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.097 1.395 14.468 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.124 2.030 16.813 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.663 2.425 15.929 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.014 0.645 14.263 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.036 -1.009 14.882 1.00 0.00 H new ATOM 825 N VAL A 56 5.154 3.221 13.492 1.00 0.00 N ATOM 826 CA VAL A 56 6.002 3.447 12.328 1.00 0.00 C ATOM 827 C VAL A 56 5.922 2.277 11.354 1.00 0.00 C ATOM 828 O VAL A 56 6.325 1.159 11.675 1.00 0.00 O ATOM 829 CB VAL A 56 7.472 3.660 12.738 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.323 3.991 11.521 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.579 4.756 13.787 1.00 0.00 C ATOM 0 H VAL A 56 5.541 2.571 14.176 1.00 0.00 H new ATOM 0 HA VAL A 56 5.634 4.349 11.839 1.00 0.00 H new ATOM 0 HB VAL A 56 7.847 2.734 13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.358 4.138 11.830 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.271 3.170 10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.951 4.903 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.624 4.893 14.065 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.186 5.688 13.381 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.003 4.474 14.668 1.00 0.00 H new ATOM 841 N LEU A 57 5.399 2.543 10.162 1.00 0.00 N ATOM 842 CA LEU A 57 5.265 1.511 9.139 1.00 0.00 C ATOM 843 C LEU A 57 6.570 1.339 8.367 1.00 0.00 C ATOM 844 O LEU A 57 7.145 2.310 7.878 1.00 0.00 O ATOM 845 CB LEU A 57 4.132 1.866 8.175 1.00 0.00 C ATOM 846 CG LEU A 57 2.878 2.471 8.806 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.936 2.990 7.731 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.175 1.447 9.685 1.00 0.00 C ATOM 0 H LEU A 57 5.061 3.463 9.880 1.00 0.00 H new ATOM 0 HA LEU A 57 5.030 0.569 9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.517 2.568 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.844 0.963 7.637 1.00 0.00 H new ATOM 0 HG LEU A 57 3.180 3.311 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.049 3.417 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.441 3.757 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.641 2.169 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.285 1.896 10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.887 0.586 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.849 1.124 10.478 1.00 0.00 H new ATOM 860 N GLN A 58 7.028 0.095 8.260 1.00 0.00 N ATOM 861 CA GLN A 58 8.263 -0.204 7.546 1.00 0.00 C ATOM 862 C GLN A 58 8.001 -0.379 6.054 1.00 0.00 C ATOM 863 O GLN A 58 6.882 -0.175 5.583 1.00 0.00 O ATOM 864 CB GLN A 58 8.911 -1.468 8.114 1.00 0.00 C ATOM 865 CG GLN A 58 9.055 -1.452 9.627 1.00 0.00 C ATOM 866 CD GLN A 58 9.935 -0.320 10.118 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.815 0.155 9.398 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.702 0.121 11.348 1.00 0.00 N ATOM 0 H GLN A 58 6.562 -0.720 8.658 1.00 0.00 H new ATOM 0 HA GLN A 58 8.944 0.637 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.315 -2.333 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.896 -1.594 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.068 -1.363 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.474 -2.402 9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.963 -0.301 11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.262 0.882 11.731 1.00 0.00 H new ATOM 877 N ASP A 59 9.039 -0.756 5.316 1.00 0.00 N ATOM 878 CA ASP A 59 8.921 -0.959 3.877 1.00 0.00 C ATOM 879 C ASP A 59 8.805 -2.443 3.545 1.00 0.00 C ATOM 880 O ASP A 59 8.269 -2.815 2.501 1.00 0.00 O ATOM 881 CB ASP A 59 10.126 -0.354 3.155 1.00 0.00 C ATOM 882 CG ASP A 59 10.271 1.132 3.414 1.00 0.00 C ATOM 883 OD1 ASP A 59 9.327 1.885 3.097 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.329 1.542 3.936 1.00 0.00 O ATOM 0 H ASP A 59 9.972 -0.927 5.691 1.00 0.00 H new ATOM 0 HA ASP A 59 8.015 -0.458 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.033 -0.866 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.027 -0.525 2.083 1.00 0.00 H new ATOM 889 N TRP A 60 9.311 -3.285 4.438 1.00 0.00 N ATOM 890 CA TRP A 60 9.265 -4.729 4.239 1.00 0.00 C ATOM 891 C TRP A 60 7.933 -5.301 4.711 1.00 0.00 C ATOM 892 O TRP A 60 7.497 -6.353 4.241 1.00 0.00 O ATOM 893 CB TRP A 60 10.417 -5.404 4.986 1.00 0.00 C ATOM 894 CG TRP A 60 10.109 -5.685 6.425 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.299 -6.670 6.913 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.604 -4.970 7.563 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.261 -6.611 8.286 1.00 0.00 N ATOM 898 CE2 TRP A 60 10.054 -5.577 8.709 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.460 -3.877 7.725 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.332 -5.126 9.996 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.735 -3.430 9.003 1.00 0.00 C ATOM 902 CH2 TRP A 60 11.173 -4.054 10.125 1.00 0.00 C ATOM 0 H TRP A 60 9.758 -2.993 5.307 1.00 0.00 H new ATOM 0 HA TRP A 60 9.367 -4.927 3.172 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.666 -6.340 4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.300 -4.767 4.929 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.766 -7.390 6.309 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.729 -7.236 8.892 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.899 -3.391 6.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.899 -5.605 10.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.394 -2.585 9.140 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.408 -3.682 11.111 1.00 0.00 H new ATOM 913 N LEU A 61 7.290 -4.604 5.641 1.00 0.00 N ATOM 914 CA LEU A 61 6.006 -5.044 6.176 1.00 0.00 C ATOM 915 C LEU A 61 4.895 -4.857 5.147 1.00 0.00 C ATOM 916 O LEU A 61 5.131 -4.358 4.048 1.00 0.00 O ATOM 917 CB LEU A 61 5.671 -4.269 7.452 1.00 0.00 C ATOM 918 CG LEU A 61 6.644 -4.444 8.618 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.242 -3.558 9.787 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.705 -5.902 9.048 1.00 0.00 C ATOM 0 H LEU A 61 7.637 -3.732 6.040 1.00 0.00 H new ATOM 0 HA LEU A 61 6.082 -6.105 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.617 -3.209 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.678 -4.569 7.786 1.00 0.00 H new ATOM 0 HG LEU A 61 7.637 -4.142 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.946 -3.696 10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.252 -2.514 9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.240 -3.827 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.403 -6.007 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.714 -6.230 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.042 -6.514 8.212 1.00 0.00 H new ATOM 932 N GLY A 62 3.682 -5.259 5.514 1.00 0.00 N ATOM 933 CA GLY A 62 2.552 -5.125 4.613 1.00 0.00 C ATOM 934 C GLY A 62 1.393 -4.378 5.243 1.00 0.00 C ATOM 935 O GLY A 62 1.360 -4.180 6.459 1.00 0.00 O ATOM 0 H GLY A 62 3.462 -5.675 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.870 -4.602 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.217 -6.116 4.305 1.00 0.00 H new ATOM 939 N LEU A 63 0.441 -3.961 4.416 1.00 0.00 N ATOM 940 CA LEU A 63 -0.725 -3.230 4.899 1.00 0.00 C ATOM 941 C LEU A 63 -1.595 -4.116 5.786 1.00 0.00 C ATOM 942 O LEU A 63 -2.163 -3.655 6.775 1.00 0.00 O ATOM 943 CB LEU A 63 -1.547 -2.706 3.720 1.00 0.00 C ATOM 944 CG LEU A 63 -1.010 -1.448 3.035 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.002 -1.817 1.958 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.152 -0.635 2.443 1.00 0.00 C ATOM 0 H LEU A 63 0.454 -4.117 3.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.374 -2.386 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.622 -3.498 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.559 -2.501 4.070 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.505 -0.837 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.370 -0.910 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.831 -2.357 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.483 -2.449 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.752 0.256 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.685 -1.238 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.838 -0.340 3.237 1.00 0.00 H new ATOM 958 N GLY A 64 -1.692 -5.392 5.425 1.00 0.00 N ATOM 959 CA GLY A 64 -2.492 -6.323 6.199 1.00 0.00 C ATOM 960 C GLY A 64 -1.823 -6.721 7.499 1.00 0.00 C ATOM 961 O GLY A 64 -2.475 -7.232 8.410 1.00 0.00 O ATOM 0 H GLY A 64 -1.231 -5.797 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.460 -5.872 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.682 -7.216 5.604 1.00 0.00 H new ATOM 965 N ILE A 65 -0.517 -6.489 7.586 1.00 0.00 N ATOM 966 CA ILE A 65 0.240 -6.828 8.784 1.00 0.00 C ATOM 967 C ILE A 65 -0.232 -6.010 9.982 1.00 0.00 C ATOM 968 O ILE A 65 -0.396 -6.540 11.081 1.00 0.00 O ATOM 969 CB ILE A 65 1.749 -6.595 8.581 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.271 -7.462 7.433 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.509 -6.893 9.864 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.639 -8.835 7.378 1.00 0.00 C ATOM 0 H ILE A 65 0.038 -6.068 6.841 1.00 0.00 H new ATOM 0 HA ILE A 65 0.067 -7.886 8.978 1.00 0.00 H new ATOM 0 HB ILE A 65 1.908 -5.548 8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.089 -6.949 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.351 -7.572 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.574 -6.724 9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.153 -6.237 10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.346 -7.932 10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.056 -9.394 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.843 -9.367 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.562 -8.735 7.247 1.00 0.00 H new ATOM 984 N TYR A 66 -0.449 -4.719 9.761 1.00 0.00 N ATOM 985 CA TYR A 66 -0.902 -3.828 10.823 1.00 0.00 C ATOM 986 C TYR A 66 -2.411 -3.936 11.018 1.00 0.00 C ATOM 987 O TYR A 66 -2.905 -3.922 12.144 1.00 0.00 O ATOM 988 CB TYR A 66 -0.520 -2.382 10.501 1.00 0.00 C ATOM 989 CG TYR A 66 0.902 -2.032 10.879 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.235 -1.713 12.189 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.912 -2.022 9.925 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.532 -1.393 12.539 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.213 -1.704 10.266 1.00 0.00 C ATOM 994 CZ TYR A 66 3.518 -1.390 11.574 1.00 0.00 C ATOM 995 OH TYR A 66 4.811 -1.073 11.918 1.00 0.00 O ATOM 0 H TYR A 66 -0.319 -4.266 8.857 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.412 -4.129 11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.656 -2.208 9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.202 -1.710 11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.466 -1.715 12.947 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.676 -2.267 8.900 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.773 -1.146 13.562 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.987 -1.701 9.512 1.00 0.00 H new ATOM 0 HH TYR A 66 4.995 -0.141 11.676 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.138 -4.043 9.910 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.584 -4.153 9.979 1.00 0.00 C ATOM 1007 C GLY A 67 -5.284 -2.892 9.512 1.00 0.00 C ATOM 1008 O GLY A 67 -6.363 -2.556 10.001 1.00 0.00 O ATOM 0 H GLY A 67 -2.752 -4.055 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.911 -4.994 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.880 -4.371 11.005 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.669 -2.193 8.564 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.240 -0.962 8.031 1.00 0.00 C ATOM 1014 C ILE A 68 -6.474 -1.251 7.184 1.00 0.00 C ATOM 1015 O ILE A 68 -6.455 -2.129 6.321 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.216 -0.189 7.180 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.966 0.125 8.006 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.835 1.092 6.640 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.730 0.358 7.166 1.00 0.00 C ATOM 0 H ILE A 68 -3.776 -2.458 8.149 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.525 -0.349 8.886 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.924 -0.813 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.155 1.010 8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.778 -0.700 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.099 1.627 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.698 0.846 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.153 1.721 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.883 0.575 7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.516 -0.534 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.899 1.202 6.497 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.545 -0.505 7.435 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.789 -0.681 6.693 1.00 0.00 C ATOM 1033 C GLN A 69 -8.972 0.432 5.666 1.00 0.00 C ATOM 1034 O GLN A 69 -8.330 1.479 5.750 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.980 -0.707 7.653 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.154 0.581 8.441 1.00 0.00 C ATOM 1037 CD GLN A 69 -11.073 0.415 9.635 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -10.827 -0.414 10.512 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -12.141 1.204 9.675 1.00 0.00 N ATOM 0 H GLN A 69 -7.577 0.226 8.145 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.737 -1.633 6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.890 -0.901 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.856 -1.536 8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.179 0.928 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.554 1.353 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.306 1.877 8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.796 1.137 10.454 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.851 0.198 4.698 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.119 1.181 3.655 1.00 0.00 C ATOM 1050 C ASP A 70 -10.574 2.505 4.260 1.00 0.00 C ATOM 1051 O ASP A 70 -11.035 2.552 5.401 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.183 0.655 2.691 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.591 0.988 3.144 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -13.047 0.397 4.146 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.238 1.838 2.498 1.00 0.00 O ATOM 0 H ASP A 70 -10.390 -0.664 4.614 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.194 1.352 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.013 1.079 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.081 -0.426 2.597 1.00 0.00 H new ATOM 1060 N SER A 71 -10.439 3.580 3.490 1.00 0.00 N ATOM 1061 CA SER A 71 -10.831 4.906 3.951 1.00 0.00 C ATOM 1062 C SER A 71 -10.042 5.303 5.195 1.00 0.00 C ATOM 1063 O SER A 71 -10.539 6.035 6.052 1.00 0.00 O ATOM 1064 CB SER A 71 -12.330 4.942 4.252 1.00 0.00 C ATOM 1065 OG SER A 71 -13.085 5.090 3.061 1.00 0.00 O ATOM 0 H SER A 71 -10.061 3.558 2.543 1.00 0.00 H new ATOM 0 HA SER A 71 -10.610 5.620 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.624 4.024 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.549 5.767 4.930 1.00 0.00 H new ATOM 0 HG SER A 71 -13.282 4.206 2.687 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.809 4.815 5.287 1.00 0.00 N ATOM 1072 CA ASP A 72 -7.950 5.119 6.425 1.00 0.00 C ATOM 1073 C ASP A 72 -7.210 6.436 6.211 1.00 0.00 C ATOM 1074 O ASP A 72 -6.977 6.853 5.076 1.00 0.00 O ATOM 1075 CB ASP A 72 -6.946 3.987 6.651 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.195 3.619 5.386 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.828 3.073 4.459 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -4.975 3.878 5.324 1.00 0.00 O ATOM 0 H ASP A 72 -8.383 4.208 4.587 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.581 5.216 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.233 4.285 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.471 3.109 7.027 1.00 0.00 H new ATOM 1083 N THR A 73 -6.844 7.089 7.310 1.00 0.00 N ATOM 1084 CA THR A 73 -6.133 8.360 7.243 1.00 0.00 C ATOM 1085 C THR A 73 -4.672 8.194 7.645 1.00 0.00 C ATOM 1086 O THR A 73 -4.364 7.913 8.804 1.00 0.00 O ATOM 1087 CB THR A 73 -6.787 9.418 8.152 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.169 9.571 7.810 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.075 10.756 8.023 1.00 0.00 C ATOM 0 H THR A 73 -7.028 6.758 8.257 1.00 0.00 H new ATOM 0 HA THR A 73 -6.186 8.698 6.208 1.00 0.00 H new ATOM 0 HB THR A 73 -6.705 9.079 9.185 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.578 10.244 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.554 11.487 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.030 10.642 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.129 11.099 6.990 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.775 8.370 6.681 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.344 8.241 6.934 1.00 0.00 C ATOM 1099 C LEU A 74 -1.673 9.610 6.977 1.00 0.00 C ATOM 1100 O LEU A 74 -1.887 10.444 6.098 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.692 7.374 5.856 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.354 6.022 5.590 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.811 5.403 4.312 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.144 5.083 6.770 1.00 0.00 C ATOM 0 H LEU A 74 -4.013 8.602 5.717 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.213 7.763 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.678 7.939 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.654 7.198 6.138 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.425 6.183 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.294 4.441 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.014 6.067 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.735 5.257 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.622 4.126 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.076 4.929 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.583 5.521 7.666 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.860 9.832 8.004 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.154 11.098 8.159 1.00 0.00 C ATOM 1118 C ILE A 75 1.216 11.050 7.492 1.00 0.00 C ATOM 1119 O ILE A 75 1.930 10.050 7.587 1.00 0.00 O ATOM 1120 CB ILE A 75 0.023 11.466 9.645 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.319 11.387 10.375 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.624 12.857 9.778 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.302 12.456 9.951 1.00 0.00 C ATOM 0 H ILE A 75 -0.674 9.152 8.741 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.764 11.860 7.674 1.00 0.00 H new ATOM 0 HB ILE A 75 0.707 10.751 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.762 10.407 10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.145 11.470 11.448 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.743 13.103 10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.597 12.881 9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.037 13.585 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.231 12.339 10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.879 13.440 10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.506 12.361 8.884 1.00 0.00 H new ATOM 1135 N LEU A 76 1.579 12.136 6.820 1.00 0.00 N ATOM 1136 CA LEU A 76 2.866 12.219 6.138 1.00 0.00 C ATOM 1137 C LEU A 76 3.765 13.261 6.796 1.00 0.00 C ATOM 1138 O LEU A 76 3.374 14.417 6.962 1.00 0.00 O ATOM 1139 CB LEU A 76 2.662 12.565 4.662 1.00 0.00 C ATOM 1140 CG LEU A 76 3.895 13.072 3.914 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.814 11.916 3.552 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.484 13.841 2.667 1.00 0.00 C ATOM 0 H LEU A 76 1.001 12.972 6.732 1.00 0.00 H new ATOM 0 HA LEU A 76 3.352 11.246 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.291 11.677 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.882 13.323 4.592 1.00 0.00 H new ATOM 0 HG LEU A 76 4.441 13.750 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.686 12.297 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.137 11.409 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.279 11.212 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.375 14.194 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.915 13.187 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.868 14.694 2.952 1.00 0.00 H new ATOM 1154 N SER A 77 4.972 12.845 7.166 1.00 0.00 N ATOM 1155 CA SER A 77 5.926 13.742 7.808 1.00 0.00 C ATOM 1156 C SER A 77 7.354 13.402 7.394 1.00 0.00 C ATOM 1157 O SER A 77 7.767 12.243 7.441 1.00 0.00 O ATOM 1158 CB SER A 77 5.790 13.662 9.329 1.00 0.00 C ATOM 1159 OG SER A 77 4.534 14.160 9.757 1.00 0.00 O ATOM 0 H SER A 77 5.312 11.893 7.032 1.00 0.00 H new ATOM 0 HA SER A 77 5.705 14.759 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.904 12.628 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.590 14.233 9.799 1.00 0.00 H new ATOM 0 HG SER A 77 4.472 14.096 10.733 1.00 0.00 H new ATOM 1165 N LYS A 78 8.105 14.420 6.988 1.00 0.00 N ATOM 1166 CA LYS A 78 9.488 14.232 6.567 1.00 0.00 C ATOM 1167 C LYS A 78 10.396 13.997 7.770 1.00 0.00 C ATOM 1168 O LYS A 78 10.141 14.504 8.862 1.00 0.00 O ATOM 1169 CB LYS A 78 9.973 15.450 5.779 1.00 0.00 C ATOM 1170 CG LYS A 78 10.215 16.676 6.642 1.00 0.00 C ATOM 1171 CD LYS A 78 11.304 17.562 6.060 1.00 0.00 C ATOM 1172 CE LYS A 78 10.790 18.375 4.881 1.00 0.00 C ATOM 1173 NZ LYS A 78 11.853 19.240 4.299 1.00 0.00 N ATOM 0 H LYS A 78 7.778 15.385 6.942 1.00 0.00 H new ATOM 0 HA LYS A 78 9.529 13.352 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.897 15.193 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.236 15.694 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.291 17.246 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.497 16.364 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.678 18.235 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.144 16.945 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.409 17.701 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.954 18.995 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.463 19.778 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.199 19.900 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.640 18.647 3.967 1.00 0.00 H new ATOM 1187 N LYS A 79 11.458 13.225 7.562 1.00 0.00 N ATOM 1188 CA LYS A 79 12.406 12.925 8.628 1.00 0.00 C ATOM 1189 C LYS A 79 13.158 14.181 9.058 1.00 0.00 C ATOM 1190 O LYS A 79 13.785 14.852 8.238 1.00 0.00 O ATOM 1191 CB LYS A 79 13.400 11.856 8.168 1.00 0.00 C ATOM 1192 CG LYS A 79 12.736 10.615 7.595 1.00 0.00 C ATOM 1193 CD LYS A 79 13.576 9.372 7.837 1.00 0.00 C ATOM 1194 CE LYS A 79 12.855 8.114 7.376 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.769 6.940 7.319 1.00 0.00 N ATOM 0 H LYS A 79 11.683 12.796 6.664 1.00 0.00 H new ATOM 0 HA LYS A 79 11.845 12.548 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.060 12.286 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.026 11.566 9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.753 10.485 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.579 10.747 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.524 9.464 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.810 9.290 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.030 7.899 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.421 8.285 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.240 6.103 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.543 7.135 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.164 6.761 8.264 1.00 0.00 H new