USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 83 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 1.03 USER MOD Set 2.2: A 67 SER OG : rot 60:sc= 1.37 USER MOD Set 3.1: A 13 GLN : amide:sc= 2.2 K(o=3.1,f=-6.4!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.897 K(o=3.1,f=-8.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0898 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.46 K(o=1.5,f=-6.7!) USER MOD Single : A 4 TYR OH : rot -154:sc= 1.25 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.5!) USER MOD Single : A 23 MET CE :methyl 178:sc= 0 (180deg=-0.0136) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.81 (180deg=0.793) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.663 K(o=0.66,f=-3!) USER MOD Single : A 54 GLN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 55 SER OG : rot 34:sc= 1.97 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000115) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 5:sc= 0.513 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.393 K(o=0.39,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.142 -0.202 -0.569 1.00 0.00 N ATOM 2 CA MET A 1 1.121 -0.060 -1.338 1.00 0.00 C ATOM 3 C MET A 1 1.702 -1.441 -1.667 1.00 0.00 C ATOM 4 O MET A 1 1.371 -2.437 -1.018 1.00 0.00 O ATOM 5 CB MET A 1 2.172 0.803 -0.601 1.00 0.00 C ATOM 6 CG MET A 1 1.750 2.263 -0.386 1.00 0.00 C ATOM 7 SD MET A 1 1.299 3.154 -1.901 1.00 0.00 S ATOM 8 CE MET A 1 0.999 4.805 -1.215 1.00 0.00 C ATOM 0 H1 MET A 1 -0.937 0.149 -1.140 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.297 -1.204 -0.338 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.077 0.350 0.310 1.00 0.00 H new ATOM 0 HA MET A 1 0.874 0.460 -2.264 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.381 0.351 0.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.102 0.785 -1.169 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.902 2.285 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.567 2.795 0.102 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.709 5.485 -2.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.199 4.752 -0.477 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.908 5.172 -0.739 1.00 0.00 H new ATOM 20 N LEU A 2 2.583 -1.509 -2.670 1.00 0.00 N ATOM 21 CA LEU A 2 3.272 -2.717 -3.121 1.00 0.00 C ATOM 22 C LEU A 2 4.737 -2.343 -3.394 1.00 0.00 C ATOM 23 O LEU A 2 5.102 -1.166 -3.321 1.00 0.00 O ATOM 24 CB LEU A 2 2.523 -3.259 -4.360 1.00 0.00 C ATOM 25 CG LEU A 2 3.017 -4.595 -4.956 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.988 -5.738 -3.934 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.145 -4.959 -6.159 1.00 0.00 C ATOM 0 H LEU A 2 2.845 -0.686 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 2 3.275 -3.514 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.472 -3.376 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.572 -2.502 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 2 4.055 -4.460 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.345 -6.655 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.631 -5.488 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.967 -5.885 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.488 -5.902 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.108 -5.062 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.217 -4.173 -6.911 1.00 0.00 H new ATOM 39 N GLN A 3 5.585 -3.330 -3.679 1.00 0.00 N ATOM 40 CA GLN A 3 7.010 -3.177 -3.922 1.00 0.00 C ATOM 41 C GLN A 3 7.428 -4.257 -4.925 1.00 0.00 C ATOM 42 O GLN A 3 6.829 -5.337 -4.968 1.00 0.00 O ATOM 43 CB GLN A 3 7.715 -3.314 -2.557 1.00 0.00 C ATOM 44 CG GLN A 3 9.243 -3.528 -2.516 1.00 0.00 C ATOM 45 CD GLN A 3 9.670 -4.090 -1.154 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.002 -4.949 -0.587 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.763 -3.647 -0.563 1.00 0.00 N ATOM 0 H GLN A 3 5.279 -4.300 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 3 7.279 -2.211 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.494 -2.415 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.253 -4.150 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.542 -4.214 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.754 -2.583 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.334 -2.933 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.037 -4.018 0.347 1.00 0.00 H new ATOM 56 N TYR A 4 8.466 -3.990 -5.716 1.00 0.00 N ATOM 57 CA TYR A 4 9.157 -5.007 -6.497 1.00 0.00 C ATOM 58 C TYR A 4 10.644 -4.685 -6.608 1.00 0.00 C ATOM 59 O TYR A 4 11.079 -3.566 -6.320 1.00 0.00 O ATOM 60 CB TYR A 4 8.494 -5.227 -7.873 1.00 0.00 C ATOM 61 CG TYR A 4 8.237 -4.033 -8.780 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.234 -3.073 -9.064 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.995 -3.953 -9.439 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.989 -2.047 -9.991 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.749 -2.940 -10.377 1.00 0.00 C ATOM 66 CZ TYR A 4 7.749 -1.986 -10.660 1.00 0.00 C ATOM 67 OH TYR A 4 7.539 -1.019 -11.588 1.00 0.00 O ATOM 0 H TYR A 4 8.852 -3.053 -5.832 1.00 0.00 H new ATOM 0 HA TYR A 4 9.069 -5.956 -5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.116 -5.930 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.536 -5.718 -7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.190 -3.129 -8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.225 -4.678 -9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.749 -1.306 -10.191 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.796 -2.890 -10.882 1.00 0.00 H new ATOM 0 HH TYR A 4 6.579 -0.834 -11.656 1.00 0.00 H new ATOM 77 N ARG A 5 11.408 -5.663 -7.090 1.00 0.00 N ATOM 78 CA ARG A 5 12.788 -5.530 -7.530 1.00 0.00 C ATOM 79 C ARG A 5 12.821 -6.102 -8.943 1.00 0.00 C ATOM 80 O ARG A 5 12.155 -7.106 -9.212 1.00 0.00 O ATOM 81 CB ARG A 5 13.696 -6.280 -6.541 1.00 0.00 C ATOM 82 CG ARG A 5 15.183 -5.893 -6.626 1.00 0.00 C ATOM 83 CD ARG A 5 15.918 -6.561 -5.453 1.00 0.00 C ATOM 84 NE ARG A 5 17.291 -6.059 -5.285 1.00 0.00 N ATOM 85 CZ ARG A 5 18.234 -6.593 -4.500 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.980 -7.656 -3.741 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.439 -6.040 -4.500 1.00 0.00 N ATOM 0 H ARG A 5 11.060 -6.617 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 5 13.151 -4.502 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.342 -6.093 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.601 -7.351 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.607 -6.218 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.298 -4.810 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.358 -6.390 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.946 -7.639 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 5 17.548 -5.227 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.052 -8.079 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.713 -8.047 -3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.628 -5.229 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.177 -6.426 -3.911 1.00 0.00 H new ATOM 101 N ILE A 6 13.527 -5.444 -9.854 1.00 0.00 N ATOM 102 CA ILE A 6 13.544 -5.750 -11.278 1.00 0.00 C ATOM 103 C ILE A 6 15.007 -5.725 -11.710 1.00 0.00 C ATOM 104 O ILE A 6 15.770 -4.874 -11.250 1.00 0.00 O ATOM 105 CB ILE A 6 12.648 -4.745 -12.057 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.175 -4.922 -11.625 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.790 -4.876 -13.587 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.128 -4.124 -12.413 1.00 0.00 C ATOM 0 H ILE A 6 14.125 -4.654 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 6 13.126 -6.733 -11.496 1.00 0.00 H new ATOM 0 HB ILE A 6 12.987 -3.740 -11.805 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.923 -5.980 -11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.093 -4.647 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.141 -4.150 -14.076 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.825 -4.689 -13.874 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.504 -5.882 -13.894 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.135 -4.334 -12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.338 -3.058 -12.321 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.166 -4.412 -13.464 1.00 0.00 H new ATOM 120 N ILE A 7 15.394 -6.623 -12.612 1.00 0.00 N ATOM 121 CA ILE A 7 16.714 -6.647 -13.232 1.00 0.00 C ATOM 122 C ILE A 7 16.464 -6.494 -14.731 1.00 0.00 C ATOM 123 O ILE A 7 15.487 -7.051 -15.241 1.00 0.00 O ATOM 124 CB ILE A 7 17.489 -7.957 -12.927 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.227 -8.610 -11.547 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.998 -7.731 -13.122 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.646 -7.791 -10.318 1.00 0.00 C ATOM 0 H ILE A 7 14.783 -7.372 -12.939 1.00 0.00 H new ATOM 0 HA ILE A 7 17.340 -5.847 -12.836 1.00 0.00 H new ATOM 0 HB ILE A 7 17.094 -8.676 -13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.162 -8.826 -11.467 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.750 -9.566 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.535 -8.655 -12.906 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.191 -7.431 -14.152 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.339 -6.947 -12.446 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.413 -8.350 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.718 -7.596 -10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.105 -6.845 -10.310 1.00 0.00 H new ATOM 139 N VAL A 8 17.327 -5.772 -15.441 1.00 0.00 N ATOM 140 CA VAL A 8 17.170 -5.498 -16.866 1.00 0.00 C ATOM 141 C VAL A 8 18.536 -5.698 -17.515 1.00 0.00 C ATOM 142 O VAL A 8 19.541 -5.199 -17.000 1.00 0.00 O ATOM 143 CB VAL A 8 16.625 -4.068 -17.096 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.084 -3.932 -18.525 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.491 -3.665 -16.139 1.00 0.00 C ATOM 0 H VAL A 8 18.166 -5.356 -15.037 1.00 0.00 H new ATOM 0 HA VAL A 8 16.443 -6.174 -17.315 1.00 0.00 H new ATOM 0 HB VAL A 8 17.473 -3.409 -16.911 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.703 -2.922 -18.675 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.885 -4.127 -19.238 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.278 -4.650 -18.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.166 -2.650 -16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.652 -4.350 -16.260 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.850 -3.709 -15.111 1.00 0.00 H new ATOM 155 N ASP A 9 18.569 -6.429 -18.630 1.00 0.00 N ATOM 156 CA ASP A 9 19.765 -6.806 -19.379 1.00 0.00 C ATOM 157 C ASP A 9 19.671 -6.226 -20.794 1.00 0.00 C ATOM 158 O ASP A 9 18.561 -6.029 -21.298 1.00 0.00 O ATOM 159 CB ASP A 9 19.851 -8.333 -19.485 1.00 0.00 C ATOM 160 CG ASP A 9 21.146 -8.805 -20.176 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.193 -8.131 -20.050 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.126 -9.881 -20.815 1.00 0.00 O ATOM 0 H ASP A 9 17.716 -6.792 -19.056 1.00 0.00 H new ATOM 0 HA ASP A 9 20.646 -6.422 -18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.797 -8.767 -18.487 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.990 -8.704 -20.041 1.00 0.00 H new ATOM 167 N GLY A 10 20.808 -5.982 -21.447 1.00 0.00 N ATOM 168 CA GLY A 10 20.879 -5.558 -22.842 1.00 0.00 C ATOM 169 C GLY A 10 21.788 -4.349 -23.015 1.00 0.00 C ATOM 170 O GLY A 10 22.654 -4.085 -22.175 1.00 0.00 O ATOM 0 H GLY A 10 21.724 -6.076 -21.009 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.247 -6.381 -23.455 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.879 -5.316 -23.201 1.00 0.00 H new ATOM 174 N ARG A 11 21.581 -3.583 -24.092 1.00 0.00 N ATOM 175 CA ARG A 11 22.117 -2.227 -24.194 1.00 0.00 C ATOM 176 C ARG A 11 21.265 -1.364 -23.269 1.00 0.00 C ATOM 177 O ARG A 11 20.296 -0.760 -23.725 1.00 0.00 O ATOM 178 CB ARG A 11 22.119 -1.727 -25.653 1.00 0.00 C ATOM 179 CG ARG A 11 22.779 -0.337 -25.766 1.00 0.00 C ATOM 180 CD ARG A 11 22.810 0.202 -27.202 1.00 0.00 C ATOM 181 NE ARG A 11 21.468 0.569 -27.698 1.00 0.00 N ATOM 182 CZ ARG A 11 20.795 0.000 -28.706 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.268 -1.073 -29.338 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.633 0.528 -29.067 1.00 0.00 N ATOM 0 H ARG A 11 21.044 -3.883 -24.906 1.00 0.00 H new ATOM 0 HA ARG A 11 23.163 -2.184 -23.889 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.653 -2.438 -26.283 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.095 -1.678 -26.025 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.240 0.367 -25.132 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.798 -0.394 -25.384 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.461 1.075 -27.245 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.243 -0.551 -27.860 1.00 0.00 H new ATOM 0 HE ARG A 11 21.003 1.341 -27.220 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.161 -1.478 -29.057 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.737 -1.489 -30.103 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.272 1.348 -28.580 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.100 0.114 -29.832 1.00 0.00 H new ATOM 198 N VAL A 12 21.574 -1.363 -21.976 1.00 0.00 N ATOM 199 CA VAL A 12 20.784 -0.676 -20.955 1.00 0.00 C ATOM 200 C VAL A 12 21.678 0.159 -20.026 1.00 0.00 C ATOM 201 O VAL A 12 21.201 0.674 -19.021 1.00 0.00 O ATOM 202 CB VAL A 12 19.880 -1.685 -20.206 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.872 -2.356 -21.153 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.666 -2.778 -19.465 1.00 0.00 C ATOM 0 H VAL A 12 22.391 -1.845 -21.601 1.00 0.00 H new ATOM 0 HA VAL A 12 20.118 0.039 -21.438 1.00 0.00 H new ATOM 0 HB VAL A 12 19.351 -1.088 -19.463 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.256 -3.057 -20.591 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.236 -1.595 -21.605 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.409 -2.892 -21.936 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.970 -3.450 -18.963 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.264 -3.344 -20.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.322 -2.317 -18.727 1.00 0.00 H new ATOM 214 N GLN A 13 22.966 0.323 -20.358 1.00 0.00 N ATOM 215 CA GLN A 13 23.880 1.277 -19.733 1.00 0.00 C ATOM 216 C GLN A 13 24.772 1.852 -20.836 1.00 0.00 C ATOM 217 O GLN A 13 24.783 1.340 -21.960 1.00 0.00 O ATOM 218 CB GLN A 13 24.717 0.621 -18.618 1.00 0.00 C ATOM 219 CG GLN A 13 23.846 0.080 -17.478 1.00 0.00 C ATOM 220 CD GLN A 13 24.642 -0.152 -16.200 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.816 0.765 -15.399 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.142 -1.348 -15.970 1.00 0.00 N ATOM 0 H GLN A 13 23.411 -0.225 -21.094 1.00 0.00 H new ATOM 0 HA GLN A 13 23.313 2.074 -19.252 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.306 -0.193 -19.040 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.422 1.350 -18.219 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.038 0.783 -17.277 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.384 -0.857 -17.790 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.992 -2.101 -16.641 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.680 -1.521 -15.121 1.00 0.00 H new ATOM 231 N GLY A 14 25.478 2.948 -20.549 1.00 0.00 N ATOM 232 CA GLY A 14 26.146 3.771 -21.555 1.00 0.00 C ATOM 233 C GLY A 14 25.120 4.690 -22.219 1.00 0.00 C ATOM 234 O GLY A 14 25.284 5.912 -22.214 1.00 0.00 O ATOM 0 H GLY A 14 25.602 3.292 -19.597 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.935 4.363 -21.091 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.621 3.137 -22.303 1.00 0.00 H new ATOM 238 N VAL A 15 24.007 4.116 -22.685 1.00 0.00 N ATOM 239 CA VAL A 15 22.741 4.828 -22.828 1.00 0.00 C ATOM 240 C VAL A 15 22.320 5.360 -21.447 1.00 0.00 C ATOM 241 O VAL A 15 22.626 4.745 -20.420 1.00 0.00 O ATOM 242 CB VAL A 15 21.676 3.905 -23.465 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.041 3.599 -24.927 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.483 2.569 -22.727 1.00 0.00 C ATOM 0 H VAL A 15 23.962 3.139 -22.974 1.00 0.00 H new ATOM 0 HA VAL A 15 22.850 5.679 -23.500 1.00 0.00 H new ATOM 0 HB VAL A 15 20.738 4.456 -23.396 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.283 2.948 -25.363 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.089 4.530 -25.492 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.010 3.102 -24.964 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.720 1.979 -23.235 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.423 2.018 -22.721 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.169 2.762 -21.701 1.00 0.00 H new ATOM 254 N GLY A 16 21.595 6.482 -21.406 1.00 0.00 N ATOM 255 CA GLY A 16 21.245 7.193 -20.174 1.00 0.00 C ATOM 256 C GLY A 16 20.090 6.555 -19.401 1.00 0.00 C ATOM 257 O GLY A 16 19.313 7.267 -18.763 1.00 0.00 O ATOM 0 H GLY A 16 21.228 6.930 -22.246 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.122 7.236 -19.528 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.981 8.221 -20.421 1.00 0.00 H new ATOM 261 N PHE A 17 19.934 5.230 -19.469 1.00 0.00 N ATOM 262 CA PHE A 17 18.777 4.529 -18.922 1.00 0.00 C ATOM 263 C PHE A 17 18.627 4.744 -17.414 1.00 0.00 C ATOM 264 O PHE A 17 17.502 4.849 -16.934 1.00 0.00 O ATOM 265 CB PHE A 17 18.866 3.037 -19.264 1.00 0.00 C ATOM 266 CG PHE A 17 17.656 2.206 -18.865 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.358 2.639 -19.194 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.822 0.995 -18.164 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.237 1.884 -18.817 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.702 0.221 -17.811 1.00 0.00 C ATOM 271 CZ PHE A 17 15.408 0.663 -18.139 1.00 0.00 C ATOM 0 H PHE A 17 20.615 4.612 -19.910 1.00 0.00 H new ATOM 0 HA PHE A 17 17.882 4.948 -19.382 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.017 2.936 -20.339 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.748 2.621 -18.777 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.224 3.560 -19.741 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.813 0.660 -17.897 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.244 2.240 -19.047 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.836 -0.714 -17.287 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.548 0.067 -17.871 1.00 0.00 H new ATOM 281 N ARG A 18 19.729 4.895 -16.664 1.00 0.00 N ATOM 282 CA ARG A 18 19.674 5.208 -15.229 1.00 0.00 C ATOM 283 C ARG A 18 18.803 6.446 -14.988 1.00 0.00 C ATOM 284 O ARG A 18 17.931 6.438 -14.119 1.00 0.00 O ATOM 285 CB ARG A 18 21.090 5.442 -14.664 1.00 0.00 C ATOM 286 CG ARG A 18 22.052 4.247 -14.793 1.00 0.00 C ATOM 287 CD ARG A 18 23.431 4.634 -14.237 1.00 0.00 C ATOM 288 NE ARG A 18 24.456 3.600 -14.485 1.00 0.00 N ATOM 289 CZ ARG A 18 25.783 3.791 -14.448 1.00 0.00 C ATOM 290 NH1 ARG A 18 26.301 4.988 -14.181 1.00 0.00 N ATOM 291 NH2 ARG A 18 26.588 2.762 -14.681 1.00 0.00 N ATOM 0 H ARG A 18 20.676 4.804 -17.032 1.00 0.00 H new ATOM 0 HA ARG A 18 19.232 4.356 -14.712 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.530 6.299 -15.174 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.004 5.707 -13.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.657 3.389 -14.249 1.00 0.00 H new ATOM 0 HG3 ARG A 18 22.140 3.949 -15.838 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.751 5.573 -14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.350 4.809 -13.164 1.00 0.00 H new ATOM 0 HE ARG A 18 24.126 2.660 -14.703 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.686 5.781 -14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 18 27.313 5.112 -14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 18 26.195 1.843 -14.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 27.600 2.890 -14.657 1.00 0.00 H new ATOM 305 N TYR A 19 19.011 7.495 -15.787 1.00 0.00 N ATOM 306 CA TYR A 19 18.269 8.742 -15.676 1.00 0.00 C ATOM 307 C TYR A 19 16.847 8.567 -16.208 1.00 0.00 C ATOM 308 O TYR A 19 15.919 9.107 -15.610 1.00 0.00 O ATOM 309 CB TYR A 19 19.010 9.861 -16.420 1.00 0.00 C ATOM 310 CG TYR A 19 20.462 10.005 -15.997 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.777 10.553 -14.738 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.494 9.541 -16.836 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.116 10.628 -14.312 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.834 9.612 -16.417 1.00 0.00 C ATOM 315 CZ TYR A 19 23.152 10.154 -15.150 1.00 0.00 C ATOM 316 OH TYR A 19 24.455 10.214 -14.752 1.00 0.00 O ATOM 0 H TYR A 19 19.706 7.498 -16.534 1.00 0.00 H new ATOM 0 HA TYR A 19 18.197 9.022 -14.625 1.00 0.00 H new ATOM 0 HB2 TYR A 19 18.969 9.665 -17.491 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.494 10.806 -16.249 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.988 10.917 -14.097 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.255 9.129 -17.805 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.353 11.047 -13.345 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.621 9.252 -17.063 1.00 0.00 H new ATOM 0 HH TYR A 19 25.029 9.843 -15.454 1.00 0.00 H new ATOM 326 N PHE A 20 16.649 7.782 -17.275 1.00 0.00 N ATOM 327 CA PHE A 20 15.314 7.488 -17.794 1.00 0.00 C ATOM 328 C PHE A 20 14.445 6.879 -16.690 1.00 0.00 C ATOM 329 O PHE A 20 13.362 7.386 -16.404 1.00 0.00 O ATOM 330 CB PHE A 20 15.400 6.550 -19.009 1.00 0.00 C ATOM 331 CG PHE A 20 14.081 6.360 -19.732 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.658 7.301 -20.691 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.275 5.240 -19.451 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.436 7.123 -21.364 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.060 5.056 -20.133 1.00 0.00 C ATOM 336 CZ PHE A 20 11.638 5.997 -21.088 1.00 0.00 C ATOM 0 H PHE A 20 17.405 7.338 -17.796 1.00 0.00 H new ATOM 0 HA PHE A 20 14.851 8.418 -18.123 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.134 6.946 -19.711 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.766 5.578 -18.680 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.273 8.161 -20.910 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.591 4.521 -18.710 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.110 7.850 -22.093 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.450 4.190 -19.923 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.703 5.856 -21.609 1.00 0.00 H new ATOM 346 N VAL A 21 14.945 5.836 -16.023 1.00 0.00 N ATOM 347 CA VAL A 21 14.248 5.182 -14.925 1.00 0.00 C ATOM 348 C VAL A 21 14.028 6.181 -13.781 1.00 0.00 C ATOM 349 O VAL A 21 12.935 6.214 -13.218 1.00 0.00 O ATOM 350 CB VAL A 21 15.038 3.927 -14.495 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.388 3.201 -13.315 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.123 2.898 -15.632 1.00 0.00 C ATOM 0 H VAL A 21 15.853 5.422 -16.235 1.00 0.00 H new ATOM 0 HA VAL A 21 13.260 4.847 -15.240 1.00 0.00 H new ATOM 0 HB VAL A 21 16.025 4.298 -14.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.984 2.326 -13.053 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.335 3.873 -12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.382 2.885 -13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.686 2.028 -15.294 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.118 2.590 -15.920 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.626 3.344 -16.490 1.00 0.00 H new ATOM 362 N GLN A 22 15.020 7.026 -13.460 1.00 0.00 N ATOM 363 CA GLN A 22 14.875 8.032 -12.413 1.00 0.00 C ATOM 364 C GLN A 22 13.675 8.939 -12.688 1.00 0.00 C ATOM 365 O GLN A 22 12.843 9.154 -11.806 1.00 0.00 O ATOM 366 CB GLN A 22 16.174 8.855 -12.259 1.00 0.00 C ATOM 367 CG GLN A 22 16.213 9.676 -10.949 1.00 0.00 C ATOM 368 CD GLN A 22 16.583 8.869 -9.705 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.757 9.422 -8.624 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.719 7.558 -9.829 1.00 0.00 N ATOM 0 H GLN A 22 15.932 7.027 -13.916 1.00 0.00 H new ATOM 0 HA GLN A 22 14.692 7.516 -11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.031 8.181 -12.286 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.273 9.531 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.930 10.489 -11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.236 10.133 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.571 7.113 -10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.972 6.993 -9.019 1.00 0.00 H new ATOM 379 N MET A 23 13.574 9.458 -13.909 1.00 0.00 N ATOM 380 CA MET A 23 12.547 10.420 -14.271 1.00 0.00 C ATOM 381 C MET A 23 11.183 9.736 -14.369 1.00 0.00 C ATOM 382 O MET A 23 10.187 10.308 -13.931 1.00 0.00 O ATOM 383 CB MET A 23 12.941 11.113 -15.581 1.00 0.00 C ATOM 384 CG MET A 23 14.224 11.942 -15.387 1.00 0.00 C ATOM 385 SD MET A 23 14.925 12.653 -16.904 1.00 0.00 S ATOM 386 CE MET A 23 13.632 13.851 -17.346 1.00 0.00 C ATOM 0 H MET A 23 14.205 9.220 -14.674 1.00 0.00 H new ATOM 0 HA MET A 23 12.464 11.182 -13.496 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.097 10.368 -16.361 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.130 11.760 -15.916 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.011 12.753 -14.690 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.979 11.309 -14.919 1.00 0.00 H new ATOM 0 HE1 MET A 23 13.932 14.397 -18.241 1.00 0.00 H new ATOM 0 HE2 MET A 23 12.698 13.324 -17.539 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.490 14.552 -16.524 1.00 0.00 H new ATOM 396 N GLU A 24 11.127 8.503 -14.880 1.00 0.00 N ATOM 397 CA GLU A 24 9.879 7.752 -14.980 1.00 0.00 C ATOM 398 C GLU A 24 9.345 7.351 -13.599 1.00 0.00 C ATOM 399 O GLU A 24 8.129 7.266 -13.429 1.00 0.00 O ATOM 400 CB GLU A 24 10.055 6.529 -15.897 1.00 0.00 C ATOM 401 CG GLU A 24 10.185 6.908 -17.382 1.00 0.00 C ATOM 402 CD GLU A 24 8.900 7.556 -17.920 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.956 6.833 -18.310 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.784 8.803 -17.897 1.00 0.00 O ATOM 0 H GLU A 24 11.942 8.002 -15.233 1.00 0.00 H new ATOM 0 HA GLU A 24 9.131 8.405 -15.429 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.942 5.975 -15.590 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.203 5.861 -15.771 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.020 7.597 -17.510 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.415 6.017 -17.966 1.00 0.00 H new ATOM 411 N ALA A 25 10.215 7.150 -12.602 1.00 0.00 N ATOM 412 CA ALA A 25 9.788 6.950 -11.223 1.00 0.00 C ATOM 413 C ALA A 25 9.299 8.265 -10.617 1.00 0.00 C ATOM 414 O ALA A 25 8.257 8.296 -9.957 1.00 0.00 O ATOM 415 CB ALA A 25 10.959 6.424 -10.395 1.00 0.00 C ATOM 0 H ALA A 25 11.226 7.122 -12.733 1.00 0.00 H new ATOM 0 HA ALA A 25 8.971 6.228 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.638 6.275 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.300 5.475 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.775 7.146 -10.420 1.00 0.00 H new ATOM 421 N ASP A 26 10.051 9.351 -10.832 1.00 0.00 N ATOM 422 CA ASP A 26 9.790 10.653 -10.224 1.00 0.00 C ATOM 423 C ASP A 26 8.468 11.243 -10.706 1.00 0.00 C ATOM 424 O ASP A 26 7.659 11.674 -9.884 1.00 0.00 O ATOM 425 CB ASP A 26 10.935 11.625 -10.524 1.00 0.00 C ATOM 426 CG ASP A 26 10.628 13.016 -9.946 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.764 13.205 -8.717 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.272 13.932 -10.720 1.00 0.00 O ATOM 0 H ASP A 26 10.868 9.346 -11.442 1.00 0.00 H new ATOM 0 HA ASP A 26 9.721 10.502 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.863 11.245 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.085 11.698 -11.601 1.00 0.00 H new ATOM 433 N LYS A 27 8.183 11.181 -12.015 1.00 0.00 N ATOM 434 CA LYS A 27 6.903 11.634 -12.568 1.00 0.00 C ATOM 435 C LYS A 27 5.717 10.838 -12.025 1.00 0.00 C ATOM 436 O LYS A 27 4.576 11.282 -12.148 1.00 0.00 O ATOM 437 CB LYS A 27 6.950 11.677 -14.111 1.00 0.00 C ATOM 438 CG LYS A 27 6.952 10.320 -14.840 1.00 0.00 C ATOM 439 CD LYS A 27 5.553 9.764 -15.161 1.00 0.00 C ATOM 440 CE LYS A 27 5.629 8.465 -15.978 1.00 0.00 C ATOM 441 NZ LYS A 27 6.065 8.691 -17.378 1.00 0.00 N ATOM 0 H LYS A 27 8.830 10.817 -12.714 1.00 0.00 H new ATOM 0 HA LYS A 27 6.741 12.657 -12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.092 12.251 -14.462 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.844 12.225 -14.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.510 10.423 -15.771 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.486 9.594 -14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.014 9.578 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.984 10.510 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.321 7.776 -15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.651 7.985 -15.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.148 7.777 -17.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.365 9.284 -17.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.988 9.170 -17.381 1.00 0.00 H new ATOM 455 N ARG A 28 5.971 9.673 -11.420 1.00 0.00 N ATOM 456 CA ARG A 28 4.964 8.781 -10.858 1.00 0.00 C ATOM 457 C ARG A 28 5.036 8.755 -9.325 1.00 0.00 C ATOM 458 O ARG A 28 4.334 7.960 -8.702 1.00 0.00 O ATOM 459 CB ARG A 28 5.169 7.389 -11.489 1.00 0.00 C ATOM 460 CG ARG A 28 3.862 6.617 -11.698 1.00 0.00 C ATOM 461 CD ARG A 28 3.054 7.180 -12.875 1.00 0.00 C ATOM 462 NE ARG A 28 1.968 6.256 -13.238 1.00 0.00 N ATOM 463 CZ ARG A 28 0.711 6.230 -12.786 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.218 7.208 -12.031 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.031 5.174 -13.093 1.00 0.00 N ATOM 0 H ARG A 28 6.920 9.317 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 28 3.961 9.136 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.672 7.504 -12.449 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.830 6.803 -10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.085 5.566 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.262 6.664 -10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.639 8.152 -12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.709 7.337 -13.732 1.00 0.00 H new ATOM 0 HE ARG A 28 2.206 5.541 -13.925 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.804 8.005 -11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.746 7.161 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.363 4.420 -13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.996 5.116 -12.767 1.00 0.00 H new ATOM 479 N LYS A 29 5.860 9.620 -8.712 1.00 0.00 N ATOM 480 CA LYS A 29 6.096 9.720 -7.269 1.00 0.00 C ATOM 481 C LYS A 29 6.386 8.359 -6.614 1.00 0.00 C ATOM 482 O LYS A 29 6.009 8.135 -5.461 1.00 0.00 O ATOM 483 CB LYS A 29 4.956 10.510 -6.589 1.00 0.00 C ATOM 484 CG LYS A 29 4.787 11.932 -7.158 1.00 0.00 C ATOM 485 CD LYS A 29 3.659 12.723 -6.479 1.00 0.00 C ATOM 486 CE LYS A 29 3.957 13.021 -5.002 1.00 0.00 C ATOM 487 NZ LYS A 29 2.893 13.840 -4.369 1.00 0.00 N ATOM 0 H LYS A 29 6.406 10.302 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 29 7.013 10.290 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.021 9.963 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.153 10.574 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.724 12.476 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.585 11.867 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.506 13.661 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.729 12.159 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.063 12.082 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.910 13.544 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.137 14.016 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.809 14.747 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.987 13.331 -4.419 1.00 0.00 H new ATOM 501 N LEU A 30 7.039 7.440 -7.331 1.00 0.00 N ATOM 502 CA LEU A 30 7.550 6.202 -6.735 1.00 0.00 C ATOM 503 C LEU A 30 8.787 6.528 -5.890 1.00 0.00 C ATOM 504 O LEU A 30 9.362 7.612 -6.019 1.00 0.00 O ATOM 505 CB LEU A 30 7.872 5.167 -7.829 1.00 0.00 C ATOM 506 CG LEU A 30 6.633 4.649 -8.586 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.073 3.710 -9.704 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.645 3.903 -7.686 1.00 0.00 C ATOM 0 H LEU A 30 7.227 7.531 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 30 6.789 5.763 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.562 5.613 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.387 4.321 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 30 6.122 5.527 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.196 3.344 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.722 4.247 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.616 2.866 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.796 3.565 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.140 3.042 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.294 4.571 -6.899 1.00 0.00 H new ATOM 520 N ALA A 31 9.219 5.589 -5.042 1.00 0.00 N ATOM 521 CA ALA A 31 10.418 5.720 -4.216 1.00 0.00 C ATOM 522 C ALA A 31 11.162 4.383 -4.200 1.00 0.00 C ATOM 523 O ALA A 31 10.534 3.339 -4.379 1.00 0.00 O ATOM 524 CB ALA A 31 10.024 6.155 -2.803 1.00 0.00 C ATOM 0 H ALA A 31 8.734 4.701 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 31 11.080 6.481 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.919 6.252 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.509 7.115 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.362 5.409 -2.364 1.00 0.00 H new ATOM 530 N GLY A 32 12.489 4.408 -4.040 1.00 0.00 N ATOM 531 CA GLY A 32 13.347 3.245 -4.257 1.00 0.00 C ATOM 532 C GLY A 32 14.664 3.652 -4.918 1.00 0.00 C ATOM 533 O GLY A 32 15.120 4.783 -4.731 1.00 0.00 O ATOM 0 H GLY A 32 12.999 5.244 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.550 2.756 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.830 2.519 -4.885 1.00 0.00 H new ATOM 537 N TRP A 33 15.279 2.765 -5.705 1.00 0.00 N ATOM 538 CA TRP A 33 16.533 3.041 -6.397 1.00 0.00 C ATOM 539 C TRP A 33 16.566 2.461 -7.809 1.00 0.00 C ATOM 540 O TRP A 33 15.818 1.540 -8.145 1.00 0.00 O ATOM 541 CB TRP A 33 17.732 2.528 -5.574 1.00 0.00 C ATOM 542 CG TRP A 33 17.853 1.053 -5.278 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.005 0.047 -6.179 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.941 0.406 -3.969 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.171 -1.158 -5.523 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.167 -0.990 -4.160 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.881 0.860 -2.632 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.342 -1.883 -3.094 1.00 0.00 C ATOM 549 CZ3 TRP A 33 18.043 -0.029 -1.551 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.276 -1.398 -1.779 1.00 0.00 C ATOM 0 H TRP A 33 14.914 1.828 -5.879 1.00 0.00 H new ATOM 0 HA TRP A 33 16.606 4.124 -6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.640 2.832 -6.095 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.721 3.053 -4.619 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.997 0.171 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.282 -2.057 -5.991 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.708 1.908 -2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.525 -2.931 -3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.988 0.343 -0.539 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.403 -2.073 -0.945 1.00 0.00 H new ATOM 561 N VAL A 34 17.533 2.927 -8.599 1.00 0.00 N ATOM 562 CA VAL A 34 18.040 2.233 -9.774 1.00 0.00 C ATOM 563 C VAL A 34 19.562 2.249 -9.659 1.00 0.00 C ATOM 564 O VAL A 34 20.134 3.236 -9.188 1.00 0.00 O ATOM 565 CB VAL A 34 17.483 2.862 -11.069 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.701 4.380 -11.173 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.062 2.188 -12.321 1.00 0.00 C ATOM 0 H VAL A 34 17.995 3.821 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 34 17.706 1.197 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 34 16.408 2.690 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.281 4.744 -12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.208 4.877 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.769 4.597 -11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.646 2.658 -13.212 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.146 2.298 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.805 1.129 -12.316 1.00 0.00 H new ATOM 577 N LYS A 35 20.235 1.158 -10.031 1.00 0.00 N ATOM 578 CA LYS A 35 21.679 1.064 -9.884 1.00 0.00 C ATOM 579 C LYS A 35 22.310 0.107 -10.883 1.00 0.00 C ATOM 580 O LYS A 35 21.667 -0.815 -11.387 1.00 0.00 O ATOM 581 CB LYS A 35 22.034 0.695 -8.434 1.00 0.00 C ATOM 582 CG LYS A 35 21.577 -0.695 -7.959 1.00 0.00 C ATOM 583 CD LYS A 35 21.953 -0.862 -6.480 1.00 0.00 C ATOM 584 CE LYS A 35 21.637 -2.271 -5.968 1.00 0.00 C ATOM 585 NZ LYS A 35 22.093 -2.467 -4.569 1.00 0.00 N ATOM 0 H LYS A 35 19.798 0.330 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 35 22.101 2.043 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.116 0.759 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.598 1.444 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.500 -0.803 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.050 -1.473 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.016 -0.658 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.412 -0.128 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.563 -2.446 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.117 -3.008 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.861 -3.433 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.122 -2.325 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.616 -1.781 -3.949 1.00 0.00 H new ATOM 599 N ASN A 36 23.597 0.334 -11.129 1.00 0.00 N ATOM 600 CA ASN A 36 24.462 -0.570 -11.876 1.00 0.00 C ATOM 601 C ASN A 36 24.572 -1.905 -11.133 1.00 0.00 C ATOM 602 O ASN A 36 24.633 -1.915 -9.902 1.00 0.00 O ATOM 603 CB ASN A 36 25.855 0.077 -11.967 1.00 0.00 C ATOM 604 CG ASN A 36 26.893 -0.868 -12.566 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.843 -1.180 -13.748 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.840 -1.347 -11.784 1.00 0.00 N ATOM 0 H ASN A 36 24.078 1.173 -10.806 1.00 0.00 H new ATOM 0 HA ASN A 36 24.055 -0.750 -12.871 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.795 0.980 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.177 0.383 -10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.540 -1.984 -12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.872 -1.080 -10.800 1.00 0.00 H new ATOM 668 N ARG A 41 24.210 -5.732 -16.210 1.00 0.00 N ATOM 669 CA ARG A 41 22.797 -5.516 -15.921 1.00 0.00 C ATOM 670 C ARG A 41 22.578 -4.272 -15.060 1.00 0.00 C ATOM 671 O ARG A 41 23.487 -3.748 -14.410 1.00 0.00 O ATOM 672 CB ARG A 41 22.210 -6.786 -15.263 1.00 0.00 C ATOM 673 CG ARG A 41 21.648 -7.725 -16.342 1.00 0.00 C ATOM 674 CD ARG A 41 21.314 -9.142 -15.891 1.00 0.00 C ATOM 675 NE ARG A 41 22.517 -9.970 -15.727 1.00 0.00 N ATOM 676 CZ ARG A 41 22.541 -11.286 -15.482 1.00 0.00 C ATOM 677 NH1 ARG A 41 21.411 -11.965 -15.301 1.00 0.00 N ATOM 678 NH2 ARG A 41 23.706 -11.918 -15.423 1.00 0.00 N ATOM 0 HA ARG A 41 22.269 -5.332 -16.857 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.982 -7.299 -14.690 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.422 -6.511 -14.562 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.745 -7.274 -16.752 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.372 -7.785 -17.155 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.771 -9.102 -14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.651 -9.607 -16.621 1.00 0.00 H new ATOM 0 HE ARG A 41 23.418 -9.498 -15.807 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.513 -11.483 -15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.443 -12.967 -15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.574 -11.401 -15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.734 -12.920 -15.237 1.00 0.00 H new ATOM 692 N VAL A 42 21.323 -3.848 -15.019 1.00 0.00 N ATOM 693 CA VAL A 42 20.825 -2.798 -14.145 1.00 0.00 C ATOM 694 C VAL A 42 19.852 -3.470 -13.186 1.00 0.00 C ATOM 695 O VAL A 42 19.157 -4.416 -13.565 1.00 0.00 O ATOM 696 CB VAL A 42 20.156 -1.694 -14.997 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.478 -0.588 -14.175 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.193 -1.019 -15.897 1.00 0.00 C ATOM 0 H VAL A 42 20.597 -4.242 -15.617 1.00 0.00 H new ATOM 0 HA VAL A 42 21.617 -2.309 -13.578 1.00 0.00 H new ATOM 0 HB VAL A 42 19.386 -2.210 -15.570 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.034 0.145 -14.848 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.699 -1.025 -13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.219 -0.099 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.709 -0.244 -16.492 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.972 -0.570 -15.281 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.637 -1.761 -16.561 1.00 0.00 H new ATOM 708 N GLU A 43 19.780 -2.958 -11.962 1.00 0.00 N ATOM 709 CA GLU A 43 18.797 -3.339 -10.967 1.00 0.00 C ATOM 710 C GLU A 43 17.961 -2.102 -10.668 1.00 0.00 C ATOM 711 O GLU A 43 18.490 -0.994 -10.569 1.00 0.00 O ATOM 712 CB GLU A 43 19.519 -3.827 -9.707 1.00 0.00 C ATOM 713 CG GLU A 43 18.549 -4.191 -8.575 1.00 0.00 C ATOM 714 CD GLU A 43 19.277 -4.427 -7.260 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.245 -5.216 -7.211 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.834 -3.874 -6.230 1.00 0.00 O ATOM 0 H GLU A 43 20.427 -2.244 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 43 18.156 -4.146 -11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.126 -4.698 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.202 -3.051 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.821 -3.390 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.992 -5.087 -8.848 1.00 0.00 H new ATOM 723 N ILE A 44 16.663 -2.298 -10.484 1.00 0.00 N ATOM 724 CA ILE A 44 15.701 -1.290 -10.092 1.00 0.00 C ATOM 725 C ILE A 44 14.960 -1.896 -8.900 1.00 0.00 C ATOM 726 O ILE A 44 14.718 -3.105 -8.864 1.00 0.00 O ATOM 727 CB ILE A 44 14.764 -1.008 -11.286 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.532 -0.676 -12.589 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.779 0.129 -10.965 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.703 -1.015 -13.818 1.00 0.00 C ATOM 0 H ILE A 44 16.235 -3.215 -10.612 1.00 0.00 H new ATOM 0 HA ILE A 44 16.149 -0.336 -9.815 1.00 0.00 H new ATOM 0 HB ILE A 44 14.210 -1.931 -11.455 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.790 0.383 -12.602 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.469 -1.233 -12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.133 0.304 -11.825 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.171 -0.149 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.335 1.039 -10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.269 -0.771 -14.717 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.467 -2.079 -13.816 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.778 -0.438 -13.803 1.00 0.00 H new ATOM 742 N LEU A 45 14.576 -1.081 -7.927 1.00 0.00 N ATOM 743 CA LEU A 45 13.769 -1.503 -6.789 1.00 0.00 C ATOM 744 C LEU A 45 12.858 -0.328 -6.493 1.00 0.00 C ATOM 745 O LEU A 45 13.353 0.793 -6.390 1.00 0.00 O ATOM 746 CB LEU A 45 14.693 -1.854 -5.609 1.00 0.00 C ATOM 747 CG LEU A 45 14.050 -2.737 -4.522 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.138 -3.153 -3.528 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.909 -2.066 -3.747 1.00 0.00 C ATOM 0 H LEU A 45 14.820 -0.091 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 45 13.177 -2.398 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.575 -2.364 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.037 -0.928 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 45 13.608 -3.588 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.700 -3.779 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.914 -3.712 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.575 -2.264 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.517 -2.760 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.284 -1.173 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.114 -1.787 -4.439 1.00 0.00 H new ATOM 761 N ALA A 46 11.550 -0.548 -6.395 1.00 0.00 N ATOM 762 CA ALA A 46 10.593 0.518 -6.156 1.00 0.00 C ATOM 763 C ALA A 46 9.484 0.028 -5.237 1.00 0.00 C ATOM 764 O ALA A 46 9.132 -1.152 -5.251 1.00 0.00 O ATOM 765 CB ALA A 46 10.005 0.999 -7.489 1.00 0.00 C ATOM 0 H ALA A 46 11.127 -1.472 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 46 11.102 1.352 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.288 1.799 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.806 1.372 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.502 0.169 -7.985 1.00 0.00 H new ATOM 771 N GLU A 47 8.894 0.966 -4.504 1.00 0.00 N ATOM 772 CA GLU A 47 7.630 0.825 -3.803 1.00 0.00 C ATOM 773 C GLU A 47 6.682 1.946 -4.237 1.00 0.00 C ATOM 774 O GLU A 47 7.128 3.019 -4.664 1.00 0.00 O ATOM 775 CB GLU A 47 7.849 0.831 -2.281 1.00 0.00 C ATOM 776 CG GLU A 47 8.465 2.137 -1.748 1.00 0.00 C ATOM 777 CD GLU A 47 8.528 2.153 -0.217 1.00 0.00 C ATOM 778 OE1 GLU A 47 9.234 1.295 0.352 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.904 3.038 0.411 1.00 0.00 O ATOM 0 H GLU A 47 9.308 1.890 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 47 7.178 -0.133 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.893 0.662 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.499 -0.002 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.469 2.258 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.876 2.985 -2.096 1.00 0.00 H new ATOM 786 N GLY A 48 5.376 1.700 -4.116 1.00 0.00 N ATOM 787 CA GLY A 48 4.334 2.670 -4.422 1.00 0.00 C ATOM 788 C GLY A 48 2.993 1.990 -4.698 1.00 0.00 C ATOM 789 O GLY A 48 2.843 0.800 -4.406 1.00 0.00 O ATOM 0 H GLY A 48 5.011 0.803 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.226 3.363 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.629 3.259 -5.290 1.00 0.00 H new ATOM 793 N PRO A 49 2.001 2.733 -5.220 1.00 0.00 N ATOM 794 CA PRO A 49 0.731 2.178 -5.670 1.00 0.00 C ATOM 795 C PRO A 49 0.937 1.094 -6.732 1.00 0.00 C ATOM 796 O PRO A 49 1.802 1.223 -7.598 1.00 0.00 O ATOM 797 CB PRO A 49 -0.066 3.360 -6.235 1.00 0.00 C ATOM 798 CG PRO A 49 0.557 4.583 -5.563 1.00 0.00 C ATOM 799 CD PRO A 49 2.019 4.179 -5.389 1.00 0.00 C ATOM 0 HA PRO A 49 0.201 1.694 -4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.018 3.415 -7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.127 3.274 -6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.457 5.476 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.083 4.802 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.612 4.466 -6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.462 4.671 -4.523 1.00 0.00 H new ATOM 807 N GLU A 50 0.097 0.058 -6.723 1.00 0.00 N ATOM 808 CA GLU A 50 0.167 -1.047 -7.679 1.00 0.00 C ATOM 809 C GLU A 50 -0.067 -0.554 -9.118 1.00 0.00 C ATOM 810 O GLU A 50 0.547 -1.061 -10.057 1.00 0.00 O ATOM 811 CB GLU A 50 -0.850 -2.116 -7.244 1.00 0.00 C ATOM 812 CG GLU A 50 -0.842 -3.383 -8.109 1.00 0.00 C ATOM 813 CD GLU A 50 -1.926 -4.379 -7.654 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.070 -4.307 -8.158 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.647 -5.252 -6.803 1.00 0.00 O ATOM 0 H GLU A 50 -0.659 -0.038 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 50 1.164 -1.488 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.647 -2.395 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.849 -1.681 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.007 -3.114 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.138 -3.858 -8.053 1.00 0.00 H new ATOM 822 N ASN A 51 -0.931 0.448 -9.320 1.00 0.00 N ATOM 823 CA ASN A 51 -1.167 1.036 -10.644 1.00 0.00 C ATOM 824 C ASN A 51 0.077 1.778 -11.143 1.00 0.00 C ATOM 825 O ASN A 51 0.516 1.567 -12.275 1.00 0.00 O ATOM 826 CB ASN A 51 -2.375 1.984 -10.588 1.00 0.00 C ATOM 827 CG ASN A 51 -2.579 2.706 -11.917 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.269 3.886 -12.043 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.086 2.024 -12.930 1.00 0.00 N ATOM 0 H ASN A 51 -1.483 0.872 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.381 0.232 -11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.272 1.418 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.229 2.716 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.224 2.479 -13.833 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.339 1.043 -12.809 1.00 0.00 H new ATOM 836 N ALA A 52 0.667 2.607 -10.273 1.00 0.00 N ATOM 837 CA ALA A 52 1.879 3.363 -10.570 1.00 0.00 C ATOM 838 C ALA A 52 3.024 2.416 -10.920 1.00 0.00 C ATOM 839 O ALA A 52 3.712 2.615 -11.923 1.00 0.00 O ATOM 840 CB ALA A 52 2.239 4.242 -9.367 1.00 0.00 C ATOM 0 H ALA A 52 0.308 2.770 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 52 1.704 4.005 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.144 4.807 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.421 4.932 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.408 3.612 -8.494 1.00 0.00 H new ATOM 846 N LEU A 53 3.193 1.363 -10.121 1.00 0.00 N ATOM 847 CA LEU A 53 4.215 0.354 -10.327 1.00 0.00 C ATOM 848 C LEU A 53 4.007 -0.371 -11.656 1.00 0.00 C ATOM 849 O LEU A 53 4.988 -0.589 -12.360 1.00 0.00 O ATOM 850 CB LEU A 53 4.212 -0.623 -9.141 1.00 0.00 C ATOM 851 CG LEU A 53 4.892 -0.056 -7.878 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.574 -0.964 -6.690 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.417 0.050 -8.004 1.00 0.00 C ATOM 0 H LEU A 53 2.611 1.190 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 53 5.192 0.835 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.182 -0.889 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.719 -1.542 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 53 4.502 0.952 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.051 -0.570 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.495 -1.002 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.949 -1.968 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.831 0.456 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.837 -0.939 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.668 0.709 -8.835 1.00 0.00 H new ATOM 865 N GLN A 54 2.773 -0.707 -12.048 1.00 0.00 N ATOM 866 CA GLN A 54 2.525 -1.342 -13.345 1.00 0.00 C ATOM 867 C GLN A 54 2.942 -0.422 -14.496 1.00 0.00 C ATOM 868 O GLN A 54 3.688 -0.864 -15.376 1.00 0.00 O ATOM 869 CB GLN A 54 1.054 -1.749 -13.483 1.00 0.00 C ATOM 870 CG GLN A 54 0.742 -3.038 -12.712 1.00 0.00 C ATOM 871 CD GLN A 54 -0.766 -3.253 -12.620 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.366 -3.995 -13.395 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.408 -2.582 -11.679 1.00 0.00 N ATOM 0 H GLN A 54 1.935 -0.550 -11.488 1.00 0.00 H new ATOM 0 HA GLN A 54 3.134 -2.245 -13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.418 -0.943 -13.115 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.813 -1.889 -14.537 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.207 -3.889 -13.210 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.169 -2.983 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.892 -1.971 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.420 -2.675 -11.586 1.00 0.00 H new ATOM 882 N SER A 55 2.534 0.855 -14.480 1.00 0.00 N ATOM 883 CA SER A 55 2.986 1.793 -15.511 1.00 0.00 C ATOM 884 C SER A 55 4.514 1.911 -15.527 1.00 0.00 C ATOM 885 O SER A 55 5.115 2.075 -16.590 1.00 0.00 O ATOM 886 CB SER A 55 2.331 3.168 -15.346 1.00 0.00 C ATOM 887 OG SER A 55 2.106 3.504 -13.987 1.00 0.00 O ATOM 0 H SER A 55 1.907 1.253 -13.781 1.00 0.00 H new ATOM 0 HA SER A 55 2.672 1.391 -16.474 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.966 3.926 -15.804 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.382 3.181 -15.882 1.00 0.00 H new ATOM 0 HG SER A 55 2.827 3.135 -13.435 1.00 0.00 H new ATOM 893 N PHE A 56 5.158 1.800 -14.364 1.00 0.00 N ATOM 894 CA PHE A 56 6.600 1.862 -14.271 1.00 0.00 C ATOM 895 C PHE A 56 7.248 0.600 -14.856 1.00 0.00 C ATOM 896 O PHE A 56 8.272 0.745 -15.518 1.00 0.00 O ATOM 897 CB PHE A 56 6.997 2.176 -12.824 1.00 0.00 C ATOM 898 CG PHE A 56 8.466 2.469 -12.586 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.119 3.473 -13.328 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.158 1.806 -11.554 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.462 3.785 -13.053 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.495 2.125 -11.273 1.00 0.00 C ATOM 903 CZ PHE A 56 11.143 3.119 -12.020 1.00 0.00 C ATOM 0 H PHE A 56 4.688 1.665 -13.469 1.00 0.00 H new ATOM 0 HA PHE A 56 6.989 2.675 -14.884 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.416 3.035 -12.487 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.709 1.331 -12.198 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.589 4.002 -14.106 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.655 1.046 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.971 4.538 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.022 1.608 -10.485 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.169 3.374 -11.801 1.00 0.00 H new ATOM 913 N VAL A 57 6.651 -0.601 -14.751 1.00 0.00 N ATOM 914 CA VAL A 57 7.143 -1.751 -15.520 1.00 0.00 C ATOM 915 C VAL A 57 7.005 -1.447 -17.012 1.00 0.00 C ATOM 916 O VAL A 57 7.950 -1.695 -17.755 1.00 0.00 O ATOM 917 CB VAL A 57 6.447 -3.092 -15.190 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.201 -4.261 -15.850 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.390 -3.397 -13.692 1.00 0.00 C ATOM 0 H VAL A 57 5.846 -0.796 -14.155 1.00 0.00 H new ATOM 0 HA VAL A 57 8.186 -1.888 -15.235 1.00 0.00 H new ATOM 0 HB VAL A 57 5.431 -2.989 -15.570 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.700 -5.199 -15.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.212 -4.123 -16.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.225 -4.290 -15.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.889 -4.352 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.403 -3.448 -13.292 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.838 -2.608 -13.181 1.00 0.00 H new ATOM 929 N GLU A 58 5.870 -0.898 -17.462 1.00 0.00 N ATOM 930 CA GLU A 58 5.660 -0.609 -18.880 1.00 0.00 C ATOM 931 C GLU A 58 6.702 0.389 -19.408 1.00 0.00 C ATOM 932 O GLU A 58 7.147 0.264 -20.551 1.00 0.00 O ATOM 933 CB GLU A 58 4.229 -0.115 -19.144 1.00 0.00 C ATOM 934 CG GLU A 58 3.191 -1.229 -18.953 1.00 0.00 C ATOM 935 CD GLU A 58 1.776 -0.750 -19.319 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.083 -0.155 -18.463 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.331 -0.979 -20.468 1.00 0.00 O ATOM 0 H GLU A 58 5.085 -0.646 -16.862 1.00 0.00 H new ATOM 0 HA GLU A 58 5.792 -1.542 -19.428 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.001 0.712 -18.471 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.161 0.273 -20.160 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.457 -2.086 -19.572 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.205 -1.567 -17.917 1.00 0.00 H new ATOM 944 N ALA A 59 7.133 1.344 -18.578 1.00 0.00 N ATOM 945 CA ALA A 59 8.233 2.235 -18.898 1.00 0.00 C ATOM 946 C ALA A 59 9.559 1.465 -18.951 1.00 0.00 C ATOM 947 O ALA A 59 10.271 1.518 -19.952 1.00 0.00 O ATOM 948 CB ALA A 59 8.300 3.373 -17.873 1.00 0.00 C ATOM 0 H ALA A 59 6.720 1.515 -17.661 1.00 0.00 H new ATOM 0 HA ALA A 59 8.060 2.666 -19.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.128 4.037 -18.120 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.366 3.935 -17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.453 2.957 -16.877 1.00 0.00 H new ATOM 954 N VAL A 60 9.892 0.737 -17.882 1.00 0.00 N ATOM 955 CA VAL A 60 11.169 0.055 -17.713 1.00 0.00 C ATOM 956 C VAL A 60 11.390 -0.983 -18.818 1.00 0.00 C ATOM 957 O VAL A 60 12.489 -1.053 -19.369 1.00 0.00 O ATOM 958 CB VAL A 60 11.211 -0.547 -16.289 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.295 -1.613 -16.096 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.448 0.565 -15.253 1.00 0.00 C ATOM 0 H VAL A 60 9.261 0.605 -17.091 1.00 0.00 H new ATOM 0 HA VAL A 60 11.996 0.758 -17.811 1.00 0.00 H new ATOM 0 HB VAL A 60 10.244 -1.030 -16.148 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.260 -1.986 -15.072 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.123 -2.437 -16.789 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.274 -1.175 -16.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.476 0.131 -14.253 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.397 1.059 -15.461 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.639 1.294 -15.310 1.00 0.00 H new ATOM 970 N LYS A 61 10.373 -1.771 -19.182 1.00 0.00 N ATOM 971 CA LYS A 61 10.524 -2.849 -20.158 1.00 0.00 C ATOM 972 C LYS A 61 10.836 -2.331 -21.566 1.00 0.00 C ATOM 973 O LYS A 61 11.356 -3.094 -22.379 1.00 0.00 O ATOM 974 CB LYS A 61 9.309 -3.793 -20.122 1.00 0.00 C ATOM 975 CG LYS A 61 8.027 -3.204 -20.735 1.00 0.00 C ATOM 976 CD LYS A 61 6.800 -4.098 -20.496 1.00 0.00 C ATOM 977 CE LYS A 61 6.885 -5.500 -21.124 1.00 0.00 C ATOM 978 NZ LYS A 61 6.874 -5.479 -22.611 1.00 0.00 N ATOM 0 H LYS A 61 9.428 -1.678 -18.809 1.00 0.00 H new ATOM 0 HA LYS A 61 11.397 -3.434 -19.869 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.562 -4.711 -20.652 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.109 -4.068 -19.086 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.843 -2.218 -20.309 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.170 -3.066 -21.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.652 -4.206 -19.422 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.918 -3.592 -20.890 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.796 -5.990 -20.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.047 -6.101 -20.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.933 -6.452 -22.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.993 -5.039 -22.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.688 -4.931 -22.956 1.00 0.00 H new ATOM 992 N ASN A 62 10.551 -1.057 -21.866 1.00 0.00 N ATOM 993 CA ASN A 62 10.956 -0.442 -23.131 1.00 0.00 C ATOM 994 C ASN A 62 12.468 -0.184 -23.173 1.00 0.00 C ATOM 995 O ASN A 62 13.038 -0.060 -24.257 1.00 0.00 O ATOM 996 CB ASN A 62 10.207 0.884 -23.353 1.00 0.00 C ATOM 997 CG ASN A 62 10.488 1.467 -24.737 1.00 0.00 C ATOM 998 OD1 ASN A 62 11.155 2.487 -24.882 1.00 0.00 O ATOM 999 ND2 ASN A 62 9.972 0.847 -25.788 1.00 0.00 N ATOM 0 H ASN A 62 10.039 -0.432 -21.244 1.00 0.00 H new ATOM 0 HA ASN A 62 10.701 -1.142 -23.927 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.136 0.720 -23.238 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.504 1.602 -22.589 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.128 1.217 -26.726 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.419 -0.000 -25.659 1.00 0.00 H new ATOM 1006 N GLY A 63 13.125 -0.096 -22.011 1.00 0.00 N ATOM 1007 CA GLY A 63 14.385 0.618 -21.886 1.00 0.00 C ATOM 1008 C GLY A 63 14.129 2.120 -22.059 1.00 0.00 C ATOM 1009 O GLY A 63 12.975 2.556 -22.089 1.00 0.00 O ATOM 0 H GLY A 63 12.796 -0.516 -21.142 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.833 0.423 -20.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.092 0.268 -22.638 1.00 0.00 H new ATOM 1013 N SER A 64 15.181 2.931 -22.188 1.00 0.00 N ATOM 1014 CA SER A 64 15.005 4.224 -22.837 1.00 0.00 C ATOM 1015 C SER A 64 14.754 3.977 -24.335 1.00 0.00 C ATOM 1016 O SER A 64 15.136 2.920 -24.848 1.00 0.00 O ATOM 1017 CB SER A 64 16.237 5.107 -22.610 1.00 0.00 C ATOM 1018 OG SER A 64 17.386 4.557 -23.233 1.00 0.00 O ATOM 0 H SER A 64 16.126 2.725 -21.865 1.00 0.00 H new ATOM 0 HA SER A 64 14.152 4.752 -22.411 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.049 6.106 -23.005 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.417 5.216 -21.541 1.00 0.00 H new ATOM 0 HG SER A 64 18.156 5.141 -23.073 1.00 0.00 H new ATOM 1024 N PRO A 65 14.225 4.958 -25.083 1.00 0.00 N ATOM 1025 CA PRO A 65 14.249 4.958 -26.542 1.00 0.00 C ATOM 1026 C PRO A 65 15.624 4.637 -27.162 1.00 0.00 C ATOM 1027 O PRO A 65 15.676 4.135 -28.287 1.00 0.00 O ATOM 1028 CB PRO A 65 13.763 6.353 -26.943 1.00 0.00 C ATOM 1029 CG PRO A 65 12.820 6.735 -25.803 1.00 0.00 C ATOM 1030 CD PRO A 65 13.466 6.089 -24.577 1.00 0.00 C ATOM 0 HA PRO A 65 13.615 4.158 -26.924 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.590 7.057 -27.034 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.249 6.339 -27.904 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.741 7.816 -25.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.812 6.357 -25.972 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.114 6.795 -24.058 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.710 5.765 -23.861 1.00 0.00 H new ATOM 1038 N PHE A 66 16.729 4.915 -26.455 1.00 0.00 N ATOM 1039 CA PHE A 66 18.085 4.630 -26.923 1.00 0.00 C ATOM 1040 C PHE A 66 18.528 3.207 -26.564 1.00 0.00 C ATOM 1041 O PHE A 66 19.421 2.658 -27.215 1.00 0.00 O ATOM 1042 CB PHE A 66 19.059 5.644 -26.304 1.00 0.00 C ATOM 1043 CG PHE A 66 18.661 7.096 -26.503 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.833 7.710 -27.759 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.090 7.828 -25.441 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.438 9.046 -27.952 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.696 9.164 -25.637 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.869 9.774 -26.892 1.00 0.00 C ATOM 0 H PHE A 66 16.701 5.349 -25.532 1.00 0.00 H new ATOM 0 HA PHE A 66 18.090 4.713 -28.010 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.141 5.445 -25.235 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.048 5.489 -26.734 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.269 7.154 -28.576 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.955 7.362 -24.476 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.572 9.514 -28.916 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.260 9.722 -24.822 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.565 10.800 -27.042 1.00 0.00 H new ATOM 1058 N SER A 67 17.940 2.603 -25.532 1.00 0.00 N ATOM 1059 CA SER A 67 18.305 1.278 -25.052 1.00 0.00 C ATOM 1060 C SER A 67 17.858 0.177 -26.024 1.00 0.00 C ATOM 1061 O SER A 67 17.068 0.407 -26.945 1.00 0.00 O ATOM 1062 CB SER A 67 17.642 1.047 -23.690 1.00 0.00 C ATOM 1063 OG SER A 67 18.043 1.993 -22.717 1.00 0.00 O ATOM 0 H SER A 67 17.183 3.032 -24.999 1.00 0.00 H new ATOM 0 HA SER A 67 19.391 1.231 -24.970 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.559 1.089 -23.806 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.886 0.045 -23.338 1.00 0.00 H new ATOM 0 HG SER A 67 17.803 2.894 -23.019 1.00 0.00 H new ATOM 1069 N LYS A 68 18.309 -1.050 -25.754 1.00 0.00 N ATOM 1070 CA LYS A 68 17.732 -2.286 -26.265 1.00 0.00 C ATOM 1071 C LYS A 68 17.741 -3.256 -25.092 1.00 0.00 C ATOM 1072 O LYS A 68 18.787 -3.829 -24.788 1.00 0.00 O ATOM 1073 CB LYS A 68 18.530 -2.821 -27.470 1.00 0.00 C ATOM 1074 CG LYS A 68 17.882 -4.086 -28.060 1.00 0.00 C ATOM 1075 CD LYS A 68 18.799 -4.754 -29.095 1.00 0.00 C ATOM 1076 CE LYS A 68 18.159 -5.996 -29.737 1.00 0.00 C ATOM 1077 NZ LYS A 68 17.019 -5.670 -30.633 1.00 0.00 N ATOM 0 H LYS A 68 19.116 -1.211 -25.151 1.00 0.00 H new ATOM 0 HA LYS A 68 16.719 -2.136 -26.639 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.591 -2.050 -28.238 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.551 -3.044 -27.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.661 -4.791 -27.259 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.932 -3.826 -28.527 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.047 -4.033 -29.874 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.735 -5.039 -28.615 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.917 -6.535 -30.306 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.814 -6.667 -28.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.642 -6.546 -31.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.272 -5.196 -30.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.344 -5.039 -31.393 1.00 0.00 H new ATOM 1091 N VAL A 69 16.610 -3.400 -24.404 1.00 0.00 N ATOM 1092 CA VAL A 69 16.434 -4.478 -23.436 1.00 0.00 C ATOM 1093 C VAL A 69 16.488 -5.791 -24.223 1.00 0.00 C ATOM 1094 O VAL A 69 15.847 -5.900 -25.274 1.00 0.00 O ATOM 1095 CB VAL A 69 15.097 -4.311 -22.676 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.868 -5.436 -21.654 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.045 -2.961 -21.944 1.00 0.00 C ATOM 0 H VAL A 69 15.803 -2.784 -24.500 1.00 0.00 H new ATOM 0 HA VAL A 69 17.217 -4.466 -22.678 1.00 0.00 H new ATOM 0 HB VAL A 69 14.309 -4.356 -23.428 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.917 -5.277 -21.145 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.848 -6.397 -22.169 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.676 -5.433 -20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.095 -2.869 -21.418 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.864 -2.904 -21.227 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.139 -2.151 -22.667 1.00 0.00 H new ATOM 1107 N THR A 70 17.215 -6.785 -23.719 1.00 0.00 N ATOM 1108 CA THR A 70 17.284 -8.116 -24.312 1.00 0.00 C ATOM 1109 C THR A 70 16.692 -9.165 -23.360 1.00 0.00 C ATOM 1110 O THR A 70 16.240 -10.215 -23.823 1.00 0.00 O ATOM 1111 CB THR A 70 18.734 -8.424 -24.733 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.614 -8.296 -23.632 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.221 -7.463 -25.828 1.00 0.00 C ATOM 0 H THR A 70 17.780 -6.686 -22.876 1.00 0.00 H new ATOM 0 HA THR A 70 16.675 -8.151 -25.215 1.00 0.00 H new ATOM 0 HB THR A 70 18.736 -9.446 -25.111 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.529 -8.497 -23.919 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.247 -7.711 -26.099 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.581 -7.557 -26.705 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.181 -6.439 -25.457 1.00 0.00 H new ATOM 1121 N ASP A 71 16.619 -8.877 -22.054 1.00 0.00 N ATOM 1122 CA ASP A 71 15.901 -9.680 -21.065 1.00 0.00 C ATOM 1123 C ASP A 71 15.559 -8.797 -19.862 1.00 0.00 C ATOM 1124 O ASP A 71 16.223 -7.785 -19.621 1.00 0.00 O ATOM 1125 CB ASP A 71 16.752 -10.883 -20.623 1.00 0.00 C ATOM 1126 CG ASP A 71 16.004 -11.795 -19.638 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.805 -12.075 -19.859 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.624 -12.259 -18.655 1.00 0.00 O ATOM 0 H ASP A 71 17.071 -8.057 -21.649 1.00 0.00 H new ATOM 0 HA ASP A 71 14.983 -10.065 -21.509 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.044 -11.461 -21.500 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.670 -10.525 -20.158 1.00 0.00 H new ATOM 1133 N ILE A 72 14.531 -9.171 -19.105 1.00 0.00 N ATOM 1134 CA ILE A 72 14.059 -8.479 -17.912 1.00 0.00 C ATOM 1135 C ILE A 72 13.520 -9.535 -16.935 1.00 0.00 C ATOM 1136 O ILE A 72 12.956 -10.549 -17.360 1.00 0.00 O ATOM 1137 CB ILE A 72 13.028 -7.385 -18.305 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.494 -6.644 -17.058 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.867 -7.922 -19.170 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.720 -5.358 -17.372 1.00 0.00 C ATOM 0 H ILE A 72 13.980 -10.003 -19.317 1.00 0.00 H new ATOM 0 HA ILE A 72 14.863 -7.946 -17.405 1.00 0.00 H new ATOM 0 HB ILE A 72 13.568 -6.672 -18.927 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.844 -7.318 -16.500 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.334 -6.399 -16.408 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.184 -7.107 -19.409 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.266 -8.344 -20.093 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.331 -8.695 -18.620 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.381 -4.901 -16.442 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.370 -4.662 -17.902 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.858 -5.595 -17.995 1.00 0.00 H new ATOM 1152 N SER A 73 13.677 -9.288 -15.635 1.00 0.00 N ATOM 1153 CA SER A 73 13.305 -10.187 -14.546 1.00 0.00 C ATOM 1154 C SER A 73 12.627 -9.354 -13.460 1.00 0.00 C ATOM 1155 O SER A 73 13.024 -8.209 -13.252 1.00 0.00 O ATOM 1156 CB SER A 73 14.573 -10.856 -13.988 1.00 0.00 C ATOM 1157 OG SER A 73 15.271 -11.565 -15.000 1.00 0.00 O ATOM 0 H SER A 73 14.086 -8.416 -15.298 1.00 0.00 H new ATOM 0 HA SER A 73 12.626 -10.964 -14.897 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.226 -10.098 -13.556 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.302 -11.540 -13.183 1.00 0.00 H new ATOM 0 HG SER A 73 16.073 -11.978 -14.616 1.00 0.00 H new ATOM 1163 N VAL A 74 11.631 -9.906 -12.761 1.00 0.00 N ATOM 1164 CA VAL A 74 10.820 -9.190 -11.774 1.00 0.00 C ATOM 1165 C VAL A 74 10.613 -10.105 -10.562 1.00 0.00 C ATOM 1166 O VAL A 74 10.403 -11.312 -10.721 1.00 0.00 O ATOM 1167 CB VAL A 74 9.462 -8.777 -12.400 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.589 -7.966 -11.424 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.631 -7.980 -13.707 1.00 0.00 C ATOM 0 H VAL A 74 11.361 -10.884 -12.868 1.00 0.00 H new ATOM 0 HA VAL A 74 11.327 -8.279 -11.455 1.00 0.00 H new ATOM 0 HB VAL A 74 8.957 -9.716 -12.628 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.650 -7.701 -11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.383 -8.565 -10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.116 -7.057 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.650 -7.717 -14.102 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.198 -7.071 -13.508 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.165 -8.588 -14.437 1.00 0.00 H new ATOM 1179 N THR A 75 10.618 -9.519 -9.364 1.00 0.00 N ATOM 1180 CA THR A 75 10.278 -10.165 -8.105 1.00 0.00 C ATOM 1181 C THR A 75 9.414 -9.160 -7.335 1.00 0.00 C ATOM 1182 O THR A 75 9.902 -8.089 -6.971 1.00 0.00 O ATOM 1183 CB THR A 75 11.570 -10.527 -7.336 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.512 -11.180 -8.173 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.292 -11.451 -6.147 1.00 0.00 C ATOM 0 H THR A 75 10.871 -8.538 -9.244 1.00 0.00 H new ATOM 0 HA THR A 75 9.733 -11.098 -8.250 1.00 0.00 H new ATOM 0 HB THR A 75 11.974 -9.579 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.317 -11.393 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.228 -11.679 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.611 -10.957 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.839 -12.376 -6.503 1.00 0.00 H new ATOM 1193 N GLU A 76 8.127 -9.454 -7.131 1.00 0.00 N ATOM 1194 CA GLU A 76 7.279 -8.676 -6.234 1.00 0.00 C ATOM 1195 C GLU A 76 7.724 -8.916 -4.788 1.00 0.00 C ATOM 1196 O GLU A 76 8.361 -9.926 -4.472 1.00 0.00 O ATOM 1197 CB GLU A 76 5.793 -9.015 -6.457 1.00 0.00 C ATOM 1198 CG GLU A 76 5.427 -10.485 -6.190 1.00 0.00 C ATOM 1199 CD GLU A 76 3.936 -10.751 -6.449 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.128 -10.601 -5.504 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.564 -11.130 -7.584 1.00 0.00 O ATOM 0 H GLU A 76 7.649 -10.234 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 76 7.388 -7.613 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.188 -8.380 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.527 -8.769 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.029 -11.132 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.669 -10.739 -5.158 1.00 0.00 H new ATOM 1208 N SER A 77 7.407 -7.984 -3.896 1.00 0.00 N ATOM 1209 CA SER A 77 7.727 -8.049 -2.473 1.00 0.00 C ATOM 1210 C SER A 77 6.744 -7.172 -1.685 1.00 0.00 C ATOM 1211 O SER A 77 6.044 -6.335 -2.261 1.00 0.00 O ATOM 1212 CB SER A 77 9.181 -7.599 -2.264 1.00 0.00 C ATOM 1213 OG SER A 77 10.079 -8.508 -2.877 1.00 0.00 O ATOM 0 H SER A 77 6.904 -7.134 -4.151 1.00 0.00 H new ATOM 0 HA SER A 77 7.629 -9.071 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.322 -6.602 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.396 -7.531 -1.198 1.00 0.00 H new ATOM 0 HG SER A 77 9.572 -9.183 -3.375 1.00 0.00 H new ATOM 1219 N ARG A 78 6.659 -7.389 -0.368 1.00 0.00 N ATOM 1220 CA ARG A 78 5.738 -6.700 0.546 1.00 0.00 C ATOM 1221 C ARG A 78 6.482 -6.407 1.857 1.00 0.00 C ATOM 1222 O ARG A 78 5.952 -6.605 2.953 1.00 0.00 O ATOM 1223 CB ARG A 78 4.451 -7.536 0.738 1.00 0.00 C ATOM 1224 CG ARG A 78 3.607 -7.603 -0.546 1.00 0.00 C ATOM 1225 CD ARG A 78 2.378 -8.511 -0.405 1.00 0.00 C ATOM 1226 NE ARG A 78 1.631 -8.589 -1.675 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.018 -9.246 -2.780 1.00 0.00 C ATOM 1228 NH1 ARG A 78 3.104 -10.008 -2.799 1.00 0.00 N ATOM 1229 NH2 ARG A 78 1.332 -9.151 -3.910 1.00 0.00 N ATOM 0 H ARG A 78 7.249 -8.072 0.108 1.00 0.00 H new ATOM 0 HA ARG A 78 5.413 -5.746 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.718 -8.546 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.855 -7.103 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.281 -6.598 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.228 -7.965 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.692 -9.510 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.727 -8.129 0.381 1.00 0.00 H new ATOM 0 HE ARG A 78 0.738 -8.098 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.672 -10.108 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.371 -10.494 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.494 -8.571 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.642 -9.658 -4.739 1.00 0.00 H new ATOM 1243 N SER A 79 7.734 -5.969 1.730 1.00 0.00 N ATOM 1244 CA SER A 79 8.709 -5.781 2.798 1.00 0.00 C ATOM 1245 C SER A 79 9.394 -4.436 2.528 1.00 0.00 C ATOM 1246 O SER A 79 10.583 -4.372 2.205 1.00 0.00 O ATOM 1247 CB SER A 79 9.678 -6.975 2.813 1.00 0.00 C ATOM 1248 OG SER A 79 8.975 -8.208 2.911 1.00 0.00 O ATOM 0 H SER A 79 8.117 -5.720 0.818 1.00 0.00 H new ATOM 0 HA SER A 79 8.258 -5.750 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.281 -6.969 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.366 -6.878 3.653 1.00 0.00 H new ATOM 0 HG SER A 79 9.615 -8.950 2.917 1.00 0.00 H new ATOM 1254 N LEU A 80 8.571 -3.378 2.518 1.00 0.00 N ATOM 1255 CA LEU A 80 8.865 -2.075 1.926 1.00 0.00 C ATOM 1256 C LEU A 80 10.153 -1.445 2.470 1.00 0.00 C ATOM 1257 O LEU A 80 10.565 -1.689 3.607 1.00 0.00 O ATOM 1258 CB LEU A 80 7.654 -1.135 2.090 1.00 0.00 C ATOM 1259 CG LEU A 80 6.710 -1.169 0.871 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.049 -2.539 0.651 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.613 -0.112 1.017 1.00 0.00 C ATOM 0 H LEU A 80 7.644 -3.413 2.942 1.00 0.00 H new ATOM 0 HA LEU A 80 9.045 -2.233 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.098 -1.417 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.008 -0.115 2.243 1.00 0.00 H new ATOM 0 HG LEU A 80 7.335 -0.960 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.398 -2.493 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.819 -3.293 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.460 -2.804 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.955 -0.148 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.035 -0.310 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.067 0.876 1.087 1.00 0.00 H new ATOM 1273 N GLU A 81 10.766 -0.601 1.641 1.00 0.00 N ATOM 1274 CA GLU A 81 11.995 0.121 1.939 1.00 0.00 C ATOM 1275 C GLU A 81 11.714 1.257 2.930 1.00 0.00 C ATOM 1276 O GLU A 81 12.551 1.557 3.784 1.00 0.00 O ATOM 1277 CB GLU A 81 12.555 0.746 0.643 1.00 0.00 C ATOM 1278 CG GLU A 81 12.810 -0.224 -0.519 1.00 0.00 C ATOM 1279 CD GLU A 81 13.762 -1.367 -0.127 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.885 -1.099 0.359 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.380 -2.545 -0.300 1.00 0.00 O ATOM 0 H GLU A 81 10.404 -0.396 0.710 1.00 0.00 H new ATOM 0 HA GLU A 81 12.711 -0.580 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.859 1.513 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.492 1.249 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.861 -0.643 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.232 0.324 -1.361 1.00 0.00 H new ATOM 1288 N GLY A 82 10.557 1.916 2.792 1.00 0.00 N ATOM 1289 CA GLY A 82 10.302 3.219 3.396 1.00 0.00 C ATOM 1290 C GLY A 82 11.204 4.302 2.787 1.00 0.00 C ATOM 1291 O GLY A 82 11.523 5.287 3.458 1.00 0.00 O ATOM 0 H GLY A 82 9.770 1.554 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.256 3.491 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.472 3.163 4.471 1.00 0.00 H new ATOM 1295 N HIS A 83 11.671 4.098 1.547 1.00 0.00 N ATOM 1296 CA HIS A 83 12.617 4.990 0.885 1.00 0.00 C ATOM 1297 C HIS A 83 11.993 6.386 0.778 1.00 0.00 C ATOM 1298 O HIS A 83 10.820 6.521 0.424 1.00 0.00 O ATOM 1299 CB HIS A 83 13.018 4.434 -0.495 1.00 0.00 C ATOM 1300 CG HIS A 83 14.499 4.521 -0.774 1.00 0.00 C ATOM 1301 ND1 HIS A 83 15.114 5.327 -1.704 1.00 0.00 N ATOM 1302 CD2 HIS A 83 15.482 3.767 -0.187 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.429 5.060 -1.686 1.00 0.00 C ATOM 1304 NE2 HIS A 83 16.709 4.118 -0.766 1.00 0.00 N ATOM 0 H HIS A 83 11.396 3.300 0.975 1.00 0.00 H new ATOM 0 HA HIS A 83 13.532 5.061 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.704 3.392 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.478 4.980 -1.268 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.650 6.010 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.336 3.029 0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.161 5.535 -2.322 1.00 0.00 H new ATOM 1312 N HIS A 84 12.767 7.423 1.104 1.00 0.00 N ATOM 1313 CA HIS A 84 12.249 8.788 1.197 1.00 0.00 C ATOM 1314 C HIS A 84 12.149 9.466 -0.183 1.00 0.00 C ATOM 1315 O HIS A 84 11.464 10.482 -0.319 1.00 0.00 O ATOM 1316 CB HIS A 84 13.134 9.607 2.150 1.00 0.00 C ATOM 1317 CG HIS A 84 13.154 9.140 3.594 1.00 0.00 C ATOM 1318 ND1 HIS A 84 12.638 7.971 4.127 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.705 9.836 4.638 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.878 7.970 5.447 1.00 0.00 C ATOM 1321 NE2 HIS A 84 13.527 9.092 5.813 1.00 0.00 N ATOM 0 H HIS A 84 13.763 7.341 1.309 1.00 0.00 H new ATOM 0 HA HIS A 84 11.235 8.741 1.595 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.155 9.594 1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.798 10.644 2.127 1.00 0.00 H new ATOM 0 HD1 HIS A 84 12.158 7.237 3.606 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.194 10.796 4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.590 7.178 6.123 1.00 0.00 H new ATOM 1329 N ARG A 85 12.818 8.921 -1.206 1.00 0.00 N ATOM 1330 CA ARG A 85 12.827 9.412 -2.586 1.00 0.00 C ATOM 1331 C ARG A 85 13.122 8.240 -3.521 1.00 0.00 C ATOM 1332 O ARG A 85 13.420 7.138 -3.048 1.00 0.00 O ATOM 1333 CB ARG A 85 13.875 10.539 -2.746 1.00 0.00 C ATOM 1334 CG ARG A 85 15.281 10.167 -2.232 1.00 0.00 C ATOM 1335 CD ARG A 85 16.372 11.109 -2.760 1.00 0.00 C ATOM 1336 NE ARG A 85 16.598 10.900 -4.198 1.00 0.00 N ATOM 1337 CZ ARG A 85 17.266 11.684 -5.049 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.896 12.775 -4.619 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.289 11.356 -6.338 1.00 0.00 N ATOM 0 H ARG A 85 13.394 8.087 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 85 11.854 9.833 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.945 10.809 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.527 11.423 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.283 10.190 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.514 9.145 -2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.082 12.144 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.300 10.939 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 85 16.195 10.051 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.872 13.021 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.402 13.365 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.802 10.519 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.793 11.941 -7.004 1.00 0.00 H new ATOM 1353 N PHE A 86 13.068 8.451 -4.835 1.00 0.00 N ATOM 1354 CA PHE A 86 13.692 7.537 -5.785 1.00 0.00 C ATOM 1355 C PHE A 86 15.133 8.014 -6.003 1.00 0.00 C ATOM 1356 O PHE A 86 15.350 9.227 -6.029 1.00 0.00 O ATOM 1357 CB PHE A 86 12.897 7.503 -7.096 1.00 0.00 C ATOM 1358 CG PHE A 86 13.175 6.253 -7.899 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.667 5.004 -7.496 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.961 6.335 -9.054 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.993 3.841 -8.213 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.282 5.178 -9.783 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.809 3.929 -9.353 1.00 0.00 C ATOM 0 H PHE A 86 12.598 9.248 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 86 13.699 6.517 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.831 7.561 -6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.147 8.380 -7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.023 4.939 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.324 7.296 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.617 2.882 -7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.891 5.250 -10.672 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.072 3.035 -9.899 1.00 0.00 H new ATOM 1373 N SER A 87 16.103 7.111 -6.157 1.00 0.00 N ATOM 1374 CA SER A 87 17.529 7.455 -6.171 1.00 0.00 C ATOM 1375 C SER A 87 18.292 6.696 -7.262 1.00 0.00 C ATOM 1376 O SER A 87 17.784 5.714 -7.813 1.00 0.00 O ATOM 1377 CB SER A 87 18.122 7.164 -4.786 1.00 0.00 C ATOM 1378 OG SER A 87 17.400 7.864 -3.785 1.00 0.00 O ATOM 0 H SER A 87 15.922 6.114 -6.276 1.00 0.00 H new ATOM 0 HA SER A 87 17.630 8.515 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.089 6.093 -4.586 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.171 7.460 -4.762 1.00 0.00 H new ATOM 0 HG SER A 87 17.787 7.669 -2.906 1.00 0.00 H new ATOM 1384 N ILE A 88 19.507 7.143 -7.590 1.00 0.00 N ATOM 1385 CA ILE A 88 20.442 6.433 -8.463 1.00 0.00 C ATOM 1386 C ILE A 88 21.610 6.022 -7.562 1.00 0.00 C ATOM 1387 O ILE A 88 22.033 6.814 -6.713 1.00 0.00 O ATOM 1388 CB ILE A 88 20.937 7.299 -9.658 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.808 8.071 -10.371 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.636 6.398 -10.694 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.248 8.983 -11.526 1.00 0.00 C ATOM 0 H ILE A 88 19.876 8.030 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 88 19.952 5.576 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 88 21.622 8.035 -9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.088 7.350 -10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.286 8.679 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.982 7.006 -11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.488 5.902 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.933 5.648 -11.057 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.375 9.475 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.942 9.736 -11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.740 8.386 -12.294 1.00 0.00 H new ATOM 1403 N VAL A 89 22.148 4.816 -7.749 1.00 0.00 N ATOM 1404 CA VAL A 89 23.347 4.349 -7.050 1.00 0.00 C ATOM 1405 C VAL A 89 24.305 3.758 -8.093 1.00 0.00 C ATOM 1406 O VAL A 89 23.884 3.343 -9.176 1.00 0.00 O ATOM 1407 CB VAL A 89 22.994 3.361 -5.902 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.089 3.346 -4.822 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.657 3.665 -5.197 1.00 0.00 C ATOM 0 H VAL A 89 21.760 4.129 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 89 23.847 5.181 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 89 22.910 2.394 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.813 2.646 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.035 3.037 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.197 4.345 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.485 2.931 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.695 4.663 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.844 3.617 -5.922 1.00 0.00 H new