USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 971 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 60 ASN : amide:sc= -9.48! C(o=-42!,f=-42!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -11.5! C(o=-44!,f=-42!) USER MOD Set 1.3: A 95 HIS :FLIP no HE2:sc= -21.1! C(o=-43!,f=-42!) USER MOD Set 1.4: A 109 TYR OH : rot 164:sc= 0.56 USER MOD Set 2.1: A 68 ASN : amide:sc= -9.16! C(o=-19!,f=-26!) USER MOD Set 2.2: A 99 GLN : amide:sc= -9.99! C(o=-19!,f=-25!) USER MOD Set 3.1: A 28 MET CE :methyl -103:sc= -9.13! (180deg=-11.2!) USER MOD Set 3.2: A 84 MET CE :methyl -107:sc= -3.3 (180deg=-7.79!) USER MOD Set 4.1: A 26 MET CE :methyl 138:sc= -10.2! (180deg=-14.5!) USER MOD Set 4.2: A 70 SER OG : rot 164:sc= -1.66! USER MOD Single : A 1 VAL N :NH3+ -166:sc= -0.715 (180deg=-1.06) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 161:sc= -4.75! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 63:sc= 0.143 USER MOD Single : A 15 THR OG1 : rot -14:sc= 0.667 USER MOD Single : A 19 GLN :FLIP amide:sc= -9.35! C(o=-11!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -5.71! C(o=-5.7!,f=-12!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -1.06! C(o=-3.7!,f=-1.1!) USER MOD Single : A 40 TYR OH : rot 101:sc= 0 USER MOD Single : A 44 CYS SG : rot 12:sc= -2.06! USER MOD Single : A 45 TYR OH : rot 180:sc= 0.329 USER MOD Single : A 49 SER OG : rot 180:sc= -1.26 USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.655 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 8:sc= 0.241 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 160:sc= -0.721 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.222 USER MOD Single : A 63 TYR OH : rot -27:sc= -6! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -150:sc= -1.6 USER MOD Single : A 71 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 65:sc= -3.17! USER MOD Single : A 82 THR OG1 : rot 75:sc= 0.164 USER MOD Single : A 83 GLN : amide:sc= -0.595 X(o=-0.59,f=-0.54) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.052) USER MOD Single : A 103 SER OG : rot -97:sc= 0.199 USER MOD Single : A 105 THR OG1 : rot 180:sc=0.000954 USER MOD Single : A 111 LYS NZ :NH3+ -160:sc= -0.181 (180deg=-0.917) USER MOD Single : A 112 GLN : amide:sc= -2.46! C(o=-2.5!,f=-4.7!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -146:sc= -0.136 (180deg=-0.87) USER MOD Single : A 118 GLN : amide:sc= -0.704 K(o=-0.7,f=-2.2!) USER MOD Single : A 123 SER OG : rot 180:sc= -0.646 USER MOD Single : A 125 MET CE :methyl -152:sc= -0.479 (180deg=-2.42!) USER MOD Single : A 126 LYS NZ :NH3+ -159:sc= -0.628 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.580 -17.076 -28.278 1.00 0.00 N ATOM 2 CA VAL A 1 13.923 -17.521 -27.807 1.00 0.00 C ATOM 3 C VAL A 1 14.904 -16.350 -27.882 1.00 0.00 C ATOM 4 O VAL A 1 16.050 -16.511 -28.252 1.00 0.00 O ATOM 5 CB VAL A 1 14.424 -18.662 -28.696 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.631 -19.329 -28.037 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.309 -19.693 -28.879 1.00 0.00 C ATOM 0 H1 VAL A 1 11.866 -17.783 -28.010 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.344 -16.163 -27.840 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.592 -16.971 -29.313 1.00 0.00 H new ATOM 0 HA VAL A 1 13.849 -17.868 -26.776 1.00 0.00 H new ATOM 0 HB VAL A 1 14.714 -18.264 -29.668 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.988 -20.142 -28.670 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.426 -18.595 -27.906 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.341 -19.727 -27.065 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.665 -20.506 -29.512 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.018 -20.091 -27.907 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.448 -19.218 -29.349 1.00 0.00 H new ATOM 19 N GLU A 2 14.465 -15.171 -27.532 1.00 0.00 N ATOM 20 CA GLU A 2 15.376 -13.992 -27.583 1.00 0.00 C ATOM 21 C GLU A 2 14.591 -12.727 -27.233 1.00 0.00 C ATOM 22 O GLU A 2 13.968 -12.115 -28.079 1.00 0.00 O ATOM 23 CB GLU A 2 15.960 -13.860 -28.992 1.00 0.00 C ATOM 24 CG GLU A 2 14.846 -14.033 -30.026 1.00 0.00 C ATOM 25 CD GLU A 2 15.461 -14.343 -31.392 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.290 -15.235 -31.457 1.00 0.00 O ATOM 27 OE2 GLU A 2 15.092 -13.684 -32.349 1.00 0.00 O ATOM 0 H GLU A 2 13.516 -14.974 -27.213 1.00 0.00 H new ATOM 0 HA GLU A 2 16.186 -14.126 -26.866 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.433 -12.885 -29.111 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.735 -14.611 -29.148 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.178 -14.840 -29.725 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.245 -13.126 -30.084 1.00 0.00 H new ATOM 34 N LEU A 3 14.611 -12.331 -25.988 1.00 0.00 N ATOM 35 CA LEU A 3 13.861 -11.106 -25.582 1.00 0.00 C ATOM 36 C LEU A 3 14.587 -9.847 -26.068 1.00 0.00 C ATOM 37 O LEU A 3 14.175 -8.737 -25.788 1.00 0.00 O ATOM 38 CB LEU A 3 13.695 -11.066 -24.052 1.00 0.00 C ATOM 39 CG LEU A 3 15.000 -10.665 -23.348 1.00 0.00 C ATOM 40 CD1 LEU A 3 16.203 -11.353 -23.992 1.00 0.00 C ATOM 41 CD2 LEU A 3 15.175 -9.150 -23.421 1.00 0.00 C ATOM 0 H LEU A 3 15.113 -12.802 -25.235 1.00 0.00 H new ATOM 0 HA LEU A 3 12.873 -11.137 -26.042 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.908 -10.359 -23.790 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.375 -12.045 -23.695 1.00 0.00 H new ATOM 0 HG LEU A 3 14.941 -10.981 -22.306 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.114 -11.052 -23.475 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.085 -12.434 -23.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.269 -11.064 -25.041 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.101 -8.866 -22.921 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.216 -8.838 -24.465 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.333 -8.662 -22.929 1.00 0.00 H new ATOM 53 N SER A 4 15.664 -9.998 -26.790 1.00 0.00 N ATOM 54 CA SER A 4 16.397 -8.801 -27.284 1.00 0.00 C ATOM 55 C SER A 4 15.905 -8.415 -28.686 1.00 0.00 C ATOM 56 O SER A 4 15.487 -9.252 -29.459 1.00 0.00 O ATOM 57 CB SER A 4 17.894 -9.102 -27.334 1.00 0.00 C ATOM 58 OG SER A 4 18.235 -9.576 -28.630 1.00 0.00 O ATOM 0 H SER A 4 16.066 -10.896 -27.058 1.00 0.00 H new ATOM 0 HA SER A 4 16.212 -7.970 -26.604 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.465 -8.203 -27.101 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.152 -9.848 -26.582 1.00 0.00 H new ATOM 0 HG SER A 4 19.195 -9.768 -28.666 1.00 0.00 H new ATOM 64 N LYS A 5 15.977 -7.152 -29.013 1.00 0.00 N ATOM 65 CA LYS A 5 15.547 -6.675 -30.361 1.00 0.00 C ATOM 66 C LYS A 5 14.185 -7.261 -30.739 1.00 0.00 C ATOM 67 O LYS A 5 13.154 -6.653 -30.531 1.00 0.00 O ATOM 68 CB LYS A 5 16.590 -7.099 -31.399 1.00 0.00 C ATOM 69 CG LYS A 5 16.109 -6.713 -32.800 1.00 0.00 C ATOM 70 CD LYS A 5 16.380 -7.865 -33.770 1.00 0.00 C ATOM 71 CE LYS A 5 17.852 -7.843 -34.190 1.00 0.00 C ATOM 72 NZ LYS A 5 18.087 -8.889 -35.225 1.00 0.00 N ATOM 0 H LYS A 5 16.321 -6.419 -28.393 1.00 0.00 H new ATOM 0 HA LYS A 5 15.459 -5.589 -30.337 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.545 -6.618 -31.187 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.755 -8.175 -31.344 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.043 -6.484 -32.780 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.622 -5.812 -33.137 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.140 -8.817 -33.297 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.739 -7.774 -34.647 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.115 -6.861 -34.583 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.491 -8.021 -33.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.087 -8.875 -35.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.852 -9.823 -34.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.487 -8.699 -36.053 1.00 0.00 H new ATOM 86 N LYS A 6 14.181 -8.433 -31.308 1.00 0.00 N ATOM 87 CA LYS A 6 12.897 -9.069 -31.727 1.00 0.00 C ATOM 88 C LYS A 6 11.819 -8.835 -30.665 1.00 0.00 C ATOM 89 O LYS A 6 10.641 -8.808 -30.961 1.00 0.00 O ATOM 90 CB LYS A 6 13.111 -10.573 -31.911 1.00 0.00 C ATOM 91 CG LYS A 6 14.170 -10.809 -32.989 1.00 0.00 C ATOM 92 CD LYS A 6 13.516 -11.445 -34.218 1.00 0.00 C ATOM 93 CE LYS A 6 14.525 -12.356 -34.920 1.00 0.00 C ATOM 94 NZ LYS A 6 14.378 -12.215 -36.397 1.00 0.00 N ATOM 0 H LYS A 6 15.017 -8.983 -31.503 1.00 0.00 H new ATOM 0 HA LYS A 6 12.571 -8.624 -32.667 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.427 -11.024 -30.970 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.174 -11.052 -32.195 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.642 -9.865 -33.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.956 -11.459 -32.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.638 -12.018 -33.920 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.173 -10.669 -34.903 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.539 -12.094 -34.618 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.362 -13.393 -34.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.064 -12.834 -36.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.414 -12.485 -36.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.554 -11.227 -36.671 1.00 0.00 H new ATOM 108 N VAL A 7 12.207 -8.671 -29.432 1.00 0.00 N ATOM 109 CA VAL A 7 11.198 -8.445 -28.361 1.00 0.00 C ATOM 110 C VAL A 7 11.280 -6.997 -27.876 1.00 0.00 C ATOM 111 O VAL A 7 10.292 -6.408 -27.483 1.00 0.00 O ATOM 112 CB VAL A 7 11.484 -9.389 -27.199 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.564 -9.061 -26.024 1.00 0.00 C ATOM 114 CG2 VAL A 7 11.248 -10.831 -27.648 1.00 0.00 C ATOM 0 H VAL A 7 13.178 -8.684 -29.120 1.00 0.00 H new ATOM 0 HA VAL A 7 10.199 -8.636 -28.752 1.00 0.00 H new ATOM 0 HB VAL A 7 12.521 -9.269 -26.884 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.774 -9.740 -25.197 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.736 -8.034 -25.703 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.525 -9.176 -26.333 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.452 -11.508 -26.819 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.212 -10.948 -27.966 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.912 -11.066 -28.480 1.00 0.00 H new ATOM 124 N THR A 8 12.449 -6.417 -27.903 1.00 0.00 N ATOM 125 CA THR A 8 12.587 -5.007 -27.443 1.00 0.00 C ATOM 126 C THR A 8 11.954 -4.069 -28.475 1.00 0.00 C ATOM 127 O THR A 8 11.888 -2.872 -28.279 1.00 0.00 O ATOM 128 CB THR A 8 14.070 -4.665 -27.281 1.00 0.00 C ATOM 129 OG1 THR A 8 14.782 -5.093 -28.434 1.00 0.00 O ATOM 130 CG2 THR A 8 14.626 -5.372 -26.043 1.00 0.00 C ATOM 0 H THR A 8 13.312 -6.857 -28.223 1.00 0.00 H new ATOM 0 HA THR A 8 12.081 -4.886 -26.485 1.00 0.00 H new ATOM 0 HB THR A 8 14.184 -3.587 -27.163 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.641 -4.624 -28.480 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.682 -5.128 -25.928 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.079 -5.042 -25.159 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.513 -6.450 -26.158 1.00 0.00 H new ATOM 138 N GLY A 9 11.484 -4.604 -29.570 1.00 0.00 N ATOM 139 CA GLY A 9 10.851 -3.747 -30.609 1.00 0.00 C ATOM 140 C GLY A 9 9.510 -3.232 -30.090 1.00 0.00 C ATOM 141 O GLY A 9 8.472 -3.810 -30.345 1.00 0.00 O ATOM 0 H GLY A 9 11.512 -5.600 -29.788 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.505 -2.910 -30.854 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.704 -4.317 -31.527 1.00 0.00 H new ATOM 145 N LYS A 10 9.531 -2.153 -29.358 1.00 0.00 N ATOM 146 CA LYS A 10 8.267 -1.585 -28.808 1.00 0.00 C ATOM 147 C LYS A 10 7.861 -2.358 -27.551 1.00 0.00 C ATOM 148 O LYS A 10 6.934 -3.142 -27.562 1.00 0.00 O ATOM 149 CB LYS A 10 7.152 -1.686 -29.854 1.00 0.00 C ATOM 150 CG LYS A 10 7.716 -1.342 -31.234 1.00 0.00 C ATOM 151 CD LYS A 10 6.602 -0.770 -32.113 1.00 0.00 C ATOM 152 CE LYS A 10 5.596 -1.872 -32.448 1.00 0.00 C ATOM 153 NZ LYS A 10 5.801 -2.322 -33.854 1.00 0.00 N ATOM 0 H LYS A 10 10.376 -1.636 -29.115 1.00 0.00 H new ATOM 0 HA LYS A 10 8.427 -0.537 -28.554 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.735 -2.693 -29.860 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.339 -1.005 -29.601 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.525 -0.618 -31.138 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.139 -2.233 -31.698 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.101 0.049 -31.596 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.024 -0.358 -33.030 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.720 -2.712 -31.764 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.579 -1.502 -32.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.117 -3.071 -34.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.662 -1.518 -34.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.767 -2.691 -33.963 1.00 0.00 H new ATOM 167 N LEU A 11 8.548 -2.135 -26.463 1.00 0.00 N ATOM 168 CA LEU A 11 8.205 -2.847 -25.199 1.00 0.00 C ATOM 169 C LEU A 11 7.168 -2.026 -24.426 1.00 0.00 C ATOM 170 O LEU A 11 7.154 -2.018 -23.211 1.00 0.00 O ATOM 171 CB LEU A 11 9.464 -3.003 -24.343 1.00 0.00 C ATOM 172 CG LEU A 11 10.130 -4.346 -24.648 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.616 -4.270 -24.293 1.00 0.00 C ATOM 174 CD2 LEU A 11 9.466 -5.444 -23.816 1.00 0.00 C ATOM 0 H LEU A 11 9.334 -1.489 -26.395 1.00 0.00 H new ATOM 0 HA LEU A 11 7.799 -3.831 -25.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.158 -2.187 -24.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.206 -2.946 -23.285 1.00 0.00 H new ATOM 0 HG LEU A 11 10.019 -4.574 -25.708 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.091 -5.227 -24.510 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.091 -3.486 -24.883 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.726 -4.043 -23.233 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.940 -6.401 -24.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.578 -5.215 -22.756 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.406 -5.499 -24.065 1.00 0.00 H new ATOM 186 N ASP A 12 6.308 -1.331 -25.122 1.00 0.00 N ATOM 187 CA ASP A 12 5.276 -0.504 -24.432 1.00 0.00 C ATOM 188 C ASP A 12 5.916 0.793 -23.933 1.00 0.00 C ATOM 189 O ASP A 12 5.955 1.064 -22.750 1.00 0.00 O ATOM 190 CB ASP A 12 4.703 -1.281 -23.245 1.00 0.00 C ATOM 191 CG ASP A 12 3.184 -1.101 -23.201 1.00 0.00 C ATOM 192 OD1 ASP A 12 2.538 -1.439 -24.180 1.00 0.00 O ATOM 193 OD2 ASP A 12 2.693 -0.627 -22.190 1.00 0.00 O ATOM 0 H ASP A 12 6.276 -1.301 -26.141 1.00 0.00 H new ATOM 0 HA ASP A 12 4.473 -0.270 -25.130 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.952 -2.338 -23.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.149 -0.927 -22.316 1.00 0.00 H new ATOM 198 N LYS A 13 6.421 1.598 -24.830 1.00 0.00 N ATOM 199 CA LYS A 13 7.063 2.877 -24.411 1.00 0.00 C ATOM 200 C LYS A 13 5.985 3.937 -24.175 1.00 0.00 C ATOM 201 O LYS A 13 6.253 5.000 -23.650 1.00 0.00 O ATOM 202 CB LYS A 13 8.013 3.352 -25.511 1.00 0.00 C ATOM 203 CG LYS A 13 9.410 2.781 -25.262 1.00 0.00 C ATOM 204 CD LYS A 13 10.177 2.713 -26.585 1.00 0.00 C ATOM 205 CE LYS A 13 11.128 1.514 -26.565 1.00 0.00 C ATOM 206 NZ LYS A 13 12.527 1.993 -26.376 1.00 0.00 N ATOM 0 H LYS A 13 6.416 1.424 -25.835 1.00 0.00 H new ATOM 0 HA LYS A 13 7.623 2.718 -23.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.646 3.031 -26.486 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.052 4.441 -25.527 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.948 3.406 -24.549 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.335 1.787 -24.821 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.479 2.623 -27.417 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.740 3.634 -26.739 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.854 0.832 -25.760 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.046 0.956 -27.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.174 1.179 -26.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.785 2.627 -27.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.599 2.508 -25.475 1.00 0.00 H new ATOM 220 N THR A 14 4.770 3.659 -24.558 1.00 0.00 N ATOM 221 CA THR A 14 3.681 4.655 -24.353 1.00 0.00 C ATOM 222 C THR A 14 2.329 3.941 -24.340 1.00 0.00 C ATOM 223 O THR A 14 1.516 4.113 -25.226 1.00 0.00 O ATOM 224 CB THR A 14 3.709 5.681 -25.488 1.00 0.00 C ATOM 225 OG1 THR A 14 3.734 5.003 -26.737 1.00 0.00 O ATOM 226 CG2 THR A 14 4.957 6.554 -25.353 1.00 0.00 C ATOM 0 H THR A 14 4.484 2.787 -25.003 1.00 0.00 H new ATOM 0 HA THR A 14 3.829 5.164 -23.400 1.00 0.00 H new ATOM 0 HB THR A 14 2.820 6.309 -25.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.913 4.479 -26.841 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.978 7.285 -26.161 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.936 7.073 -24.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.847 5.927 -25.407 1.00 0.00 H new ATOM 234 N THR A 15 2.084 3.141 -23.339 1.00 0.00 N ATOM 235 CA THR A 15 0.786 2.415 -23.265 1.00 0.00 C ATOM 236 C THR A 15 0.564 1.925 -21.828 1.00 0.00 C ATOM 237 O THR A 15 1.343 1.143 -21.322 1.00 0.00 O ATOM 238 CB THR A 15 0.821 1.213 -24.211 1.00 0.00 C ATOM 239 OG1 THR A 15 1.008 1.667 -25.544 1.00 0.00 O ATOM 240 CG2 THR A 15 -0.497 0.443 -24.112 1.00 0.00 C ATOM 0 H THR A 15 2.727 2.959 -22.569 1.00 0.00 H new ATOM 0 HA THR A 15 -0.025 3.083 -23.555 1.00 0.00 H new ATOM 0 HB THR A 15 1.644 0.555 -23.932 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.848 2.633 -25.586 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.470 -0.413 -24.787 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.639 0.094 -23.089 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.323 1.098 -24.390 1.00 0.00 H new ATOM 248 N PRO A 16 -0.491 2.397 -21.210 1.00 0.00 N ATOM 249 CA PRO A 16 -0.829 2.015 -19.829 1.00 0.00 C ATOM 250 C PRO A 16 -1.448 0.614 -19.804 1.00 0.00 C ATOM 251 O PRO A 16 -2.651 0.455 -19.875 1.00 0.00 O ATOM 252 CB PRO A 16 -1.845 3.075 -19.397 1.00 0.00 C ATOM 253 CG PRO A 16 -2.449 3.654 -20.698 1.00 0.00 C ATOM 254 CD PRO A 16 -1.442 3.347 -21.823 1.00 0.00 C ATOM 0 HA PRO A 16 0.037 1.976 -19.168 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.621 2.637 -18.770 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.364 3.857 -18.810 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.418 3.202 -20.911 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.612 4.728 -20.606 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.936 2.911 -22.691 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.938 4.251 -22.164 1.00 0.00 H new ATOM 262 N GLY A 17 -0.634 -0.401 -19.708 1.00 0.00 N ATOM 263 CA GLY A 17 -1.171 -1.791 -19.680 1.00 0.00 C ATOM 264 C GLY A 17 -0.041 -2.757 -19.327 1.00 0.00 C ATOM 265 O GLY A 17 0.839 -2.438 -18.553 1.00 0.00 O ATOM 0 H GLY A 17 0.382 -0.328 -19.648 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.975 -1.869 -18.948 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.597 -2.049 -20.650 1.00 0.00 H new ATOM 269 N ILE A 18 -0.051 -3.938 -19.885 1.00 0.00 N ATOM 270 CA ILE A 18 1.034 -4.908 -19.568 1.00 0.00 C ATOM 271 C ILE A 18 1.162 -5.942 -20.688 1.00 0.00 C ATOM 272 O ILE A 18 0.185 -6.402 -21.246 1.00 0.00 O ATOM 273 CB ILE A 18 0.714 -5.634 -18.258 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.410 -6.645 -18.498 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.273 -4.625 -17.197 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.712 -7.390 -17.199 1.00 0.00 C ATOM 0 H ILE A 18 -0.758 -4.270 -20.541 1.00 0.00 H new ATOM 0 HA ILE A 18 1.971 -4.360 -19.470 1.00 0.00 H new ATOM 0 HB ILE A 18 1.607 -6.153 -17.909 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.305 -6.133 -18.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.118 -7.351 -19.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.047 -5.149 -16.268 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.074 -3.907 -17.023 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.617 -4.099 -17.543 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.512 -8.110 -17.370 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.183 -7.915 -16.864 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.022 -6.678 -16.435 1.00 0.00 H new ATOM 288 N GLN A 19 2.366 -6.329 -20.994 1.00 0.00 N ATOM 289 CA GLN A 19 2.587 -7.358 -22.049 1.00 0.00 C ATOM 290 C GLN A 19 3.343 -8.521 -21.411 1.00 0.00 C ATOM 291 O GLN A 19 4.445 -8.357 -20.937 1.00 0.00 O ATOM 292 CB GLN A 19 3.420 -6.757 -23.184 1.00 0.00 C ATOM 293 CG GLN A 19 3.663 -7.818 -24.259 1.00 0.00 C ATOM 294 CD GLN A 19 5.115 -7.741 -24.738 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.769 -6.615 -24.634 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 5.662 -8.717 -25.213 1.00 0.00 N flip ATOM 0 H GLN A 19 3.216 -5.974 -20.555 1.00 0.00 H new ATOM 0 HA GLN A 19 1.637 -7.701 -22.459 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.902 -5.900 -23.615 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.371 -6.392 -22.797 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.454 -8.810 -23.859 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.984 -7.663 -25.098 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.153 -9.597 -25.295 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.630 -8.656 -25.529 1.00 0.00 H new ATOM 305 N ILE A 20 2.766 -9.691 -21.365 1.00 0.00 N ATOM 306 CA ILE A 20 3.484 -10.823 -20.711 1.00 0.00 C ATOM 307 C ILE A 20 4.322 -11.588 -21.726 1.00 0.00 C ATOM 308 O ILE A 20 4.309 -11.306 -22.905 1.00 0.00 O ATOM 309 CB ILE A 20 2.485 -11.800 -20.080 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.237 -11.048 -19.618 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.134 -12.492 -18.877 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.293 -12.028 -18.919 1.00 0.00 C ATOM 0 H ILE A 20 1.845 -9.911 -21.744 1.00 0.00 H new ATOM 0 HA ILE A 20 4.130 -10.401 -19.942 1.00 0.00 H new ATOM 0 HB ILE A 20 2.201 -12.545 -20.823 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.514 -10.242 -18.938 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.738 -10.588 -20.471 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.423 -13.186 -18.429 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.018 -13.039 -19.205 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.424 -11.744 -18.139 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.600 -11.499 -18.586 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.009 -12.818 -19.614 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.797 -12.467 -18.058 1.00 0.00 H new ATOM 324 N TRP A 21 5.025 -12.580 -21.258 1.00 0.00 N ATOM 325 CA TRP A 21 5.849 -13.428 -22.154 1.00 0.00 C ATOM 326 C TRP A 21 5.637 -14.872 -21.703 1.00 0.00 C ATOM 327 O TRP A 21 5.858 -15.202 -20.556 1.00 0.00 O ATOM 328 CB TRP A 21 7.326 -13.046 -22.040 1.00 0.00 C ATOM 329 CG TRP A 21 7.616 -11.885 -22.939 1.00 0.00 C ATOM 330 CD1 TRP A 21 8.102 -11.972 -24.201 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.448 -10.464 -22.665 1.00 0.00 C ATOM 332 NE1 TRP A 21 8.240 -10.693 -24.715 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.849 -9.729 -23.805 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.990 -9.751 -21.545 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.798 -8.332 -23.831 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.935 -8.349 -21.567 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.339 -7.642 -22.706 1.00 0.00 C ATOM 0 H TRP A 21 5.062 -12.842 -20.273 1.00 0.00 H new ATOM 0 HA TRP A 21 5.559 -13.295 -23.196 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.567 -12.789 -21.008 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.953 -13.895 -22.312 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.342 -12.888 -24.721 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.588 -10.488 -25.652 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.678 -10.286 -20.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.110 -7.791 -24.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.579 -7.812 -20.700 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.296 -6.563 -22.715 1.00 0.00 H new ATOM 348 N ARG A 22 5.162 -15.726 -22.567 1.00 0.00 N ATOM 349 CA ARG A 22 4.883 -17.127 -22.138 1.00 0.00 C ATOM 350 C ARG A 22 6.136 -17.998 -22.187 1.00 0.00 C ATOM 351 O ARG A 22 6.821 -18.085 -23.186 1.00 0.00 O ATOM 352 CB ARG A 22 3.807 -17.732 -23.044 1.00 0.00 C ATOM 353 CG ARG A 22 4.235 -17.608 -24.507 1.00 0.00 C ATOM 354 CD ARG A 22 3.391 -18.550 -25.367 1.00 0.00 C ATOM 355 NE ARG A 22 2.217 -17.808 -25.910 1.00 0.00 N ATOM 356 CZ ARG A 22 1.545 -18.300 -26.914 1.00 0.00 C ATOM 357 NH1 ARG A 22 1.374 -19.590 -27.015 1.00 0.00 N ATOM 358 NH2 ARG A 22 1.044 -17.502 -27.817 1.00 0.00 N ATOM 0 H ARG A 22 4.956 -15.518 -23.544 1.00 0.00 H new ATOM 0 HA ARG A 22 4.537 -17.097 -21.105 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.650 -18.780 -22.789 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.857 -17.220 -22.888 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.112 -16.580 -24.847 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.292 -17.853 -24.610 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.991 -18.950 -26.184 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.055 -19.400 -24.773 1.00 0.00 H new ATOM 0 HE ARG A 22 1.940 -16.917 -25.497 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.766 -20.213 -26.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.849 -19.975 -27.800 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.178 -16.494 -27.738 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.519 -17.886 -28.602 1.00 0.00 H new ATOM 372 N ILE A 23 6.408 -18.671 -21.104 1.00 0.00 N ATOM 373 CA ILE A 23 7.583 -19.584 -21.035 1.00 0.00 C ATOM 374 C ILE A 23 7.049 -21.016 -20.954 1.00 0.00 C ATOM 375 O ILE A 23 7.418 -21.783 -20.086 1.00 0.00 O ATOM 376 CB ILE A 23 8.392 -19.272 -19.772 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.633 -17.751 -19.672 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.722 -20.031 -19.804 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.975 -17.356 -20.308 1.00 0.00 C ATOM 0 H ILE A 23 5.855 -18.626 -20.248 1.00 0.00 H new ATOM 0 HA ILE A 23 8.223 -19.459 -21.908 1.00 0.00 H new ATOM 0 HB ILE A 23 7.833 -19.594 -18.893 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.822 -17.219 -20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.620 -17.447 -18.625 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.292 -19.804 -18.903 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.528 -21.103 -19.851 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.293 -19.727 -20.681 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.115 -16.279 -20.222 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.787 -17.870 -19.794 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.976 -17.639 -21.361 1.00 0.00 H new ATOM 391 N GLU A 24 6.157 -21.371 -21.842 1.00 0.00 N ATOM 392 CA GLU A 24 5.563 -22.741 -21.813 1.00 0.00 C ATOM 393 C GLU A 24 6.355 -23.680 -22.716 1.00 0.00 C ATOM 394 O GLU A 24 6.582 -24.828 -22.386 1.00 0.00 O ATOM 395 CB GLU A 24 4.114 -22.676 -22.295 1.00 0.00 C ATOM 396 CG GLU A 24 4.016 -21.748 -23.509 1.00 0.00 C ATOM 397 CD GLU A 24 2.657 -21.929 -24.187 1.00 0.00 C ATOM 398 OE1 GLU A 24 1.667 -21.988 -23.479 1.00 0.00 O ATOM 399 OE2 GLU A 24 2.631 -22.002 -25.405 1.00 0.00 O ATOM 0 H GLU A 24 5.813 -20.768 -22.589 1.00 0.00 H new ATOM 0 HA GLU A 24 5.597 -23.120 -20.792 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.763 -23.674 -22.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.470 -22.313 -21.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.143 -20.711 -23.198 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.817 -21.969 -24.214 1.00 0.00 H new ATOM 406 N ASN A 25 6.791 -23.208 -23.847 1.00 0.00 N ATOM 407 CA ASN A 25 7.583 -24.090 -24.752 1.00 0.00 C ATOM 408 C ASN A 25 9.055 -23.979 -24.370 1.00 0.00 C ATOM 409 O ASN A 25 9.925 -23.873 -25.211 1.00 0.00 O ATOM 410 CB ASN A 25 7.385 -23.688 -26.226 1.00 0.00 C ATOM 411 CG ASN A 25 6.843 -22.258 -26.332 1.00 0.00 C ATOM 412 OD1 ASN A 25 7.411 -21.336 -25.783 1.00 0.00 O ATOM 413 ND2 ASN A 25 5.756 -22.033 -27.020 1.00 0.00 N ATOM 0 H ASN A 25 6.637 -22.258 -24.185 1.00 0.00 H new ATOM 0 HA ASN A 25 7.243 -25.120 -24.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.333 -23.763 -26.759 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.694 -24.380 -26.707 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.387 -21.085 -27.095 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.276 -22.805 -27.483 1.00 0.00 H new ATOM 420 N MET A 26 9.335 -24.002 -23.094 1.00 0.00 N ATOM 421 CA MET A 26 10.743 -23.894 -22.636 1.00 0.00 C ATOM 422 C MET A 26 11.391 -22.694 -23.323 1.00 0.00 C ATOM 423 O MET A 26 12.594 -22.614 -23.473 1.00 0.00 O ATOM 424 CB MET A 26 11.486 -25.183 -22.980 1.00 0.00 C ATOM 425 CG MET A 26 10.699 -26.375 -22.429 1.00 0.00 C ATOM 426 SD MET A 26 11.771 -27.362 -21.356 1.00 0.00 S ATOM 427 CE MET A 26 11.905 -26.161 -20.007 1.00 0.00 C ATOM 0 H MET A 26 8.644 -24.091 -22.349 1.00 0.00 H new ATOM 0 HA MET A 26 10.784 -23.750 -21.556 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.601 -25.275 -24.060 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.489 -25.165 -22.553 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.831 -26.024 -21.871 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.324 -26.987 -23.249 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.827 -26.678 -19.051 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.867 -25.652 -20.067 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.102 -25.429 -20.090 1.00 0.00 H new ATOM 437 N GLU A 27 10.584 -21.752 -23.727 1.00 0.00 N ATOM 438 CA GLU A 27 11.109 -20.529 -24.392 1.00 0.00 C ATOM 439 C GLU A 27 10.131 -19.391 -24.111 1.00 0.00 C ATOM 440 O GLU A 27 8.963 -19.621 -23.867 1.00 0.00 O ATOM 441 CB GLU A 27 11.217 -20.761 -25.901 1.00 0.00 C ATOM 442 CG GLU A 27 9.899 -21.328 -26.425 1.00 0.00 C ATOM 443 CD GLU A 27 10.174 -22.241 -27.621 1.00 0.00 C ATOM 444 OE1 GLU A 27 10.673 -23.333 -27.404 1.00 0.00 O ATOM 445 OE2 GLU A 27 9.881 -21.833 -28.733 1.00 0.00 O ATOM 0 H GLU A 27 9.570 -21.779 -23.623 1.00 0.00 H new ATOM 0 HA GLU A 27 12.100 -20.284 -24.011 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.449 -19.824 -26.408 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.033 -21.451 -26.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.393 -21.886 -25.637 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.233 -20.516 -26.719 1.00 0.00 H new ATOM 452 N MET A 28 10.581 -18.170 -24.119 1.00 0.00 N ATOM 453 CA MET A 28 9.643 -17.056 -23.822 1.00 0.00 C ATOM 454 C MET A 28 9.127 -16.423 -25.115 1.00 0.00 C ATOM 455 O MET A 28 9.872 -16.130 -26.030 1.00 0.00 O ATOM 456 CB MET A 28 10.347 -16.007 -22.958 1.00 0.00 C ATOM 457 CG MET A 28 11.212 -15.098 -23.828 1.00 0.00 C ATOM 458 SD MET A 28 11.904 -13.788 -22.793 1.00 0.00 S ATOM 459 CE MET A 28 10.541 -12.613 -22.970 1.00 0.00 C ATOM 0 H MET A 28 11.544 -17.897 -24.315 1.00 0.00 H new ATOM 0 HA MET A 28 8.787 -17.453 -23.276 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.608 -15.412 -22.421 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.965 -16.500 -22.208 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.012 -15.672 -24.295 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.616 -14.668 -24.633 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.825 -11.829 -23.672 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.659 -13.133 -23.344 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.316 -12.168 -22.001 1.00 0.00 H new ATOM 469 N VAL A 29 7.845 -16.209 -25.175 1.00 0.00 N ATOM 470 CA VAL A 29 7.219 -15.591 -26.375 1.00 0.00 C ATOM 471 C VAL A 29 6.521 -14.304 -25.923 1.00 0.00 C ATOM 472 O VAL A 29 6.081 -14.222 -24.803 1.00 0.00 O ATOM 473 CB VAL A 29 6.222 -16.601 -26.972 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.918 -15.924 -27.418 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.873 -17.284 -28.176 1.00 0.00 C ATOM 0 H VAL A 29 7.191 -16.441 -24.428 1.00 0.00 H new ATOM 0 HA VAL A 29 7.952 -15.342 -27.142 1.00 0.00 H new ATOM 0 HB VAL A 29 5.971 -17.329 -26.200 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.243 -16.672 -27.833 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.445 -15.445 -26.561 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.139 -15.174 -28.177 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.176 -18.002 -28.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.131 -16.534 -28.924 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.776 -17.803 -27.855 1.00 0.00 H new ATOM 485 N PRO A 30 6.457 -13.337 -26.797 1.00 0.00 N ATOM 486 CA PRO A 30 5.834 -12.033 -26.487 1.00 0.00 C ATOM 487 C PRO A 30 4.306 -12.129 -26.388 1.00 0.00 C ATOM 488 O PRO A 30 3.594 -11.907 -27.345 1.00 0.00 O ATOM 489 CB PRO A 30 6.268 -11.142 -27.656 1.00 0.00 C ATOM 490 CG PRO A 30 6.634 -12.094 -28.817 1.00 0.00 C ATOM 491 CD PRO A 30 6.986 -13.448 -28.172 1.00 0.00 C ATOM 0 HA PRO A 30 6.145 -11.645 -25.517 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.465 -10.465 -27.947 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.121 -10.523 -27.377 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.800 -12.199 -29.511 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.477 -11.705 -29.388 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.528 -14.278 -28.710 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.062 -13.623 -28.173 1.00 0.00 H new ATOM 499 N VAL A 31 3.804 -12.440 -25.217 1.00 0.00 N ATOM 500 CA VAL A 31 2.323 -12.533 -25.018 1.00 0.00 C ATOM 501 C VAL A 31 1.717 -11.122 -25.017 1.00 0.00 C ATOM 502 O VAL A 31 1.963 -10.350 -24.105 1.00 0.00 O ATOM 503 CB VAL A 31 2.024 -13.178 -23.660 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.549 -13.567 -23.592 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.881 -14.427 -23.474 1.00 0.00 C ATOM 0 H VAL A 31 4.361 -12.635 -24.385 1.00 0.00 H new ATOM 0 HA VAL A 31 1.896 -13.131 -25.823 1.00 0.00 H new ATOM 0 HB VAL A 31 2.254 -12.462 -22.871 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.338 -14.026 -22.626 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.068 -12.677 -23.714 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.323 -14.277 -24.388 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.661 -14.878 -22.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.659 -15.142 -24.266 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.935 -14.154 -23.516 1.00 0.00 H new ATOM 515 N PRO A 32 0.936 -10.826 -26.027 1.00 0.00 N ATOM 516 CA PRO A 32 0.279 -9.513 -26.159 1.00 0.00 C ATOM 517 C PRO A 32 -0.946 -9.441 -25.241 1.00 0.00 C ATOM 518 O PRO A 32 -1.064 -10.186 -24.289 1.00 0.00 O ATOM 519 CB PRO A 32 -0.140 -9.466 -27.631 1.00 0.00 C ATOM 520 CG PRO A 32 -0.219 -10.935 -28.109 1.00 0.00 C ATOM 521 CD PRO A 32 0.631 -11.765 -27.128 1.00 0.00 C ATOM 0 HA PRO A 32 0.923 -8.679 -25.879 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.103 -8.968 -27.745 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.582 -8.903 -28.223 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.251 -11.284 -28.118 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.159 -11.032 -29.127 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.085 -12.637 -26.768 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.541 -12.132 -27.602 1.00 0.00 H new ATOM 529 N THR A 33 -1.858 -8.552 -25.522 1.00 0.00 N ATOM 530 CA THR A 33 -3.075 -8.437 -24.666 1.00 0.00 C ATOM 531 C THR A 33 -4.141 -9.394 -25.191 1.00 0.00 C ATOM 532 O THR A 33 -5.057 -9.768 -24.486 1.00 0.00 O ATOM 533 CB THR A 33 -3.621 -7.003 -24.711 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.726 -6.943 -25.604 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.535 -6.042 -25.194 1.00 0.00 C ATOM 0 H THR A 33 -1.815 -7.901 -26.306 1.00 0.00 H new ATOM 0 HA THR A 33 -2.816 -8.687 -23.637 1.00 0.00 H new ATOM 0 HB THR A 33 -3.938 -6.715 -23.709 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.075 -6.028 -25.631 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.933 -5.028 -25.222 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.686 -6.080 -24.512 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.210 -6.332 -26.193 1.00 0.00 H new ATOM 543 N LYS A 34 -4.037 -9.785 -26.429 1.00 0.00 N ATOM 544 CA LYS A 34 -5.049 -10.708 -27.003 1.00 0.00 C ATOM 545 C LYS A 34 -4.759 -12.141 -26.544 1.00 0.00 C ATOM 546 O LYS A 34 -5.411 -13.077 -26.960 1.00 0.00 O ATOM 547 CB LYS A 34 -4.993 -10.643 -28.531 1.00 0.00 C ATOM 548 CG LYS A 34 -5.403 -9.244 -29.000 1.00 0.00 C ATOM 549 CD LYS A 34 -5.783 -9.296 -30.481 1.00 0.00 C ATOM 550 CE LYS A 34 -6.800 -8.194 -30.786 1.00 0.00 C ATOM 551 NZ LYS A 34 -8.128 -8.808 -31.069 1.00 0.00 N ATOM 0 H LYS A 34 -3.293 -9.504 -27.068 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.041 -10.412 -26.662 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.986 -10.874 -28.878 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.658 -11.392 -28.962 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.245 -8.883 -28.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.583 -8.542 -28.848 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.895 -9.167 -31.100 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.204 -10.271 -30.725 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.876 -7.511 -29.940 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.469 -7.606 -31.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.819 -8.059 -31.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.049 -9.443 -31.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.443 -9.351 -30.240 1.00 0.00 H new ATOM 565 N SER A 35 -3.784 -12.321 -25.694 1.00 0.00 N ATOM 566 CA SER A 35 -3.458 -13.695 -25.218 1.00 0.00 C ATOM 567 C SER A 35 -3.416 -13.717 -23.688 1.00 0.00 C ATOM 568 O SER A 35 -3.822 -14.676 -23.062 1.00 0.00 O ATOM 569 CB SER A 35 -2.094 -14.112 -25.768 1.00 0.00 C ATOM 570 OG SER A 35 -2.114 -14.024 -27.187 1.00 0.00 O ATOM 0 H SER A 35 -3.201 -11.578 -25.310 1.00 0.00 H new ATOM 0 HA SER A 35 -4.223 -14.388 -25.568 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.313 -13.468 -25.363 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.860 -15.131 -25.458 1.00 0.00 H new ATOM 0 HG SER A 35 -1.240 -14.289 -27.544 1.00 0.00 H new ATOM 576 N TYR A 36 -2.926 -12.669 -23.081 1.00 0.00 N ATOM 577 CA TYR A 36 -2.854 -12.633 -21.592 1.00 0.00 C ATOM 578 C TYR A 36 -4.153 -13.188 -20.998 1.00 0.00 C ATOM 579 O TYR A 36 -5.168 -13.265 -21.662 1.00 0.00 O ATOM 580 CB TYR A 36 -2.638 -11.187 -21.123 1.00 0.00 C ATOM 581 CG TYR A 36 -3.946 -10.426 -21.141 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.920 -10.719 -22.104 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.182 -9.424 -20.192 1.00 0.00 C ATOM 584 CE1 TYR A 36 -6.128 -10.011 -22.116 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.390 -8.716 -20.204 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.363 -9.010 -21.167 1.00 0.00 C ATOM 587 OH TYR A 36 -7.553 -8.311 -21.180 1.00 0.00 O ATOM 0 H TYR A 36 -2.573 -11.836 -23.552 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.019 -13.247 -21.254 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.221 -11.183 -20.116 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.913 -10.693 -21.770 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.739 -11.491 -22.837 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.431 -9.197 -19.450 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.879 -10.238 -22.858 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.571 -7.944 -19.471 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.554 -7.653 -20.454 1.00 0.00 H new ATOM 597 N GLY A 37 -4.127 -13.576 -19.753 1.00 0.00 N ATOM 598 CA GLY A 37 -5.356 -14.126 -19.117 1.00 0.00 C ATOM 599 C GLY A 37 -5.167 -15.622 -18.855 1.00 0.00 C ATOM 600 O GLY A 37 -5.191 -16.072 -17.728 1.00 0.00 O ATOM 0 H GLY A 37 -3.307 -13.536 -19.148 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.559 -13.605 -18.182 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.217 -13.965 -19.765 1.00 0.00 H new ATOM 604 N ASN A 38 -4.981 -16.396 -19.889 1.00 0.00 N ATOM 605 CA ASN A 38 -4.792 -17.862 -19.696 1.00 0.00 C ATOM 606 C ASN A 38 -3.309 -18.207 -19.865 1.00 0.00 C ATOM 607 O ASN A 38 -2.786 -18.204 -20.962 1.00 0.00 O ATOM 608 CB ASN A 38 -5.614 -18.638 -20.734 1.00 0.00 C ATOM 609 CG ASN A 38 -6.779 -17.781 -21.240 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.378 -16.960 -20.421 1.00 0.00 O flip ATOM 611 ND2 ASN A 38 -7.148 -17.860 -22.395 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.952 -16.078 -20.858 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.126 -18.138 -18.696 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.977 -18.927 -21.570 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.996 -19.558 -20.291 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.681 -18.501 -23.037 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.924 -17.285 -22.723 1.00 0.00 H new ATOM 618 N PHE A 39 -2.626 -18.506 -18.792 1.00 0.00 N ATOM 619 CA PHE A 39 -1.178 -18.851 -18.909 1.00 0.00 C ATOM 620 C PHE A 39 -0.884 -20.146 -18.142 1.00 0.00 C ATOM 621 O PHE A 39 -1.295 -20.327 -17.015 1.00 0.00 O ATOM 622 CB PHE A 39 -0.307 -17.708 -18.363 1.00 0.00 C ATOM 623 CG PHE A 39 -1.123 -16.801 -17.468 1.00 0.00 C ATOM 624 CD1 PHE A 39 -2.078 -15.941 -18.027 1.00 0.00 C ATOM 625 CD2 PHE A 39 -0.918 -16.814 -16.083 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.827 -15.097 -17.200 1.00 0.00 C ATOM 627 CE2 PHE A 39 -1.667 -15.967 -15.257 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.622 -15.110 -15.816 1.00 0.00 C ATOM 0 H PHE A 39 -3.005 -18.526 -17.845 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.939 -18.998 -19.962 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.534 -18.119 -17.805 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.110 -17.133 -19.190 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.236 -15.930 -19.095 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.182 -17.477 -15.652 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.564 -14.435 -17.630 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.508 -15.975 -14.189 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.201 -14.458 -15.179 1.00 0.00 H new ATOM 638 N TYR A 40 -0.180 -21.051 -18.767 1.00 0.00 N ATOM 639 CA TYR A 40 0.144 -22.357 -18.117 1.00 0.00 C ATOM 640 C TYR A 40 0.492 -22.175 -16.641 1.00 0.00 C ATOM 641 O TYR A 40 1.323 -21.367 -16.284 1.00 0.00 O ATOM 642 CB TYR A 40 1.354 -22.988 -18.815 1.00 0.00 C ATOM 643 CG TYR A 40 0.997 -23.372 -20.240 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.275 -23.085 -20.747 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.937 -24.022 -21.049 1.00 0.00 C ATOM 646 CE1 TYR A 40 -0.609 -23.446 -22.058 1.00 0.00 C ATOM 647 CE2 TYR A 40 1.603 -24.382 -22.362 1.00 0.00 C ATOM 648 CZ TYR A 40 0.330 -24.095 -22.865 1.00 0.00 C ATOM 649 OH TYR A 40 0.001 -24.451 -24.157 1.00 0.00 O ATOM 0 H TYR A 40 0.189 -20.941 -19.711 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.735 -22.996 -18.201 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.188 -22.286 -18.818 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.682 -23.870 -18.264 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.002 -22.583 -20.125 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.920 -24.246 -20.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.592 -23.223 -22.446 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.329 -24.882 -22.986 1.00 0.00 H new ATOM 0 HH TYR A 40 0.381 -23.799 -24.783 1.00 0.00 H new ATOM 659 N GLU A 41 -0.103 -22.961 -15.783 1.00 0.00 N ATOM 660 CA GLU A 41 0.236 -22.872 -14.342 1.00 0.00 C ATOM 661 C GLU A 41 1.376 -23.857 -14.076 1.00 0.00 C ATOM 662 O GLU A 41 1.218 -25.056 -14.185 1.00 0.00 O ATOM 663 CB GLU A 41 -1.007 -23.194 -13.482 1.00 0.00 C ATOM 664 CG GLU A 41 -1.086 -24.689 -13.148 1.00 0.00 C ATOM 665 CD GLU A 41 -1.299 -25.493 -14.432 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.173 -25.125 -15.199 1.00 0.00 O ATOM 667 OE2 GLU A 41 -0.586 -26.464 -14.625 1.00 0.00 O ATOM 0 H GLU A 41 -0.808 -23.659 -16.022 1.00 0.00 H new ATOM 0 HA GLU A 41 0.554 -21.864 -14.075 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.972 -22.615 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.908 -22.891 -14.015 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.169 -25.010 -12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.904 -24.873 -12.452 1.00 0.00 H new ATOM 674 N GLY A 42 2.536 -23.362 -13.769 1.00 0.00 N ATOM 675 CA GLY A 42 3.682 -24.276 -13.533 1.00 0.00 C ATOM 676 C GLY A 42 4.743 -24.040 -14.610 1.00 0.00 C ATOM 677 O GLY A 42 5.286 -24.959 -15.190 1.00 0.00 O ATOM 0 H GLY A 42 2.741 -22.368 -13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.105 -24.100 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.347 -25.313 -13.557 1.00 0.00 H new ATOM 681 N ASP A 43 5.035 -22.804 -14.874 1.00 0.00 N ATOM 682 CA ASP A 43 6.054 -22.466 -15.902 1.00 0.00 C ATOM 683 C ASP A 43 6.622 -21.075 -15.592 1.00 0.00 C ATOM 684 O ASP A 43 6.945 -20.772 -14.460 1.00 0.00 O ATOM 685 CB ASP A 43 5.400 -22.475 -17.286 1.00 0.00 C ATOM 686 CG ASP A 43 4.731 -23.830 -17.526 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.629 -24.019 -17.040 1.00 0.00 O ATOM 688 OD2 ASP A 43 5.334 -24.656 -18.191 1.00 0.00 O ATOM 0 H ASP A 43 4.606 -22.000 -14.416 1.00 0.00 H new ATOM 0 HA ASP A 43 6.861 -23.198 -15.891 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.662 -21.676 -17.356 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.149 -22.286 -18.055 1.00 0.00 H new ATOM 693 N CYS A 44 6.747 -20.224 -16.575 1.00 0.00 N ATOM 694 CA CYS A 44 7.292 -18.863 -16.311 1.00 0.00 C ATOM 695 C CYS A 44 6.618 -17.857 -17.240 1.00 0.00 C ATOM 696 O CYS A 44 6.424 -18.112 -18.410 1.00 0.00 O ATOM 697 CB CYS A 44 8.801 -18.866 -16.569 1.00 0.00 C ATOM 698 SG CYS A 44 9.644 -19.734 -15.223 1.00 0.00 S ATOM 0 H CYS A 44 6.496 -20.412 -17.546 1.00 0.00 H new ATOM 0 HA CYS A 44 7.099 -18.585 -15.275 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.017 -19.352 -17.520 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.170 -17.843 -16.643 1.00 0.00 H new ATOM 0 HG CYS A 44 8.767 -20.353 -14.490 1.00 0.00 H new ATOM 704 N TYR A 45 6.255 -16.716 -16.727 1.00 0.00 N ATOM 705 CA TYR A 45 5.592 -15.697 -17.583 1.00 0.00 C ATOM 706 C TYR A 45 6.114 -14.309 -17.211 1.00 0.00 C ATOM 707 O TYR A 45 5.791 -13.775 -16.170 1.00 0.00 O ATOM 708 CB TYR A 45 4.081 -15.749 -17.357 1.00 0.00 C ATOM 709 CG TYR A 45 3.499 -16.887 -18.159 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.724 -18.209 -17.762 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.740 -16.618 -19.303 1.00 0.00 C ATOM 712 CE1 TYR A 45 3.189 -19.264 -18.507 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.206 -17.673 -20.052 1.00 0.00 C ATOM 714 CZ TYR A 45 2.430 -18.997 -19.653 1.00 0.00 C ATOM 715 OH TYR A 45 1.906 -20.037 -20.392 1.00 0.00 O ATOM 0 H TYR A 45 6.389 -16.446 -15.753 1.00 0.00 H new ATOM 0 HA TYR A 45 5.810 -15.901 -18.631 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.864 -15.886 -16.298 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.624 -14.806 -17.656 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.311 -18.415 -16.879 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.566 -15.597 -19.608 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.361 -20.285 -18.199 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.622 -17.466 -20.937 1.00 0.00 H new ATOM 0 HH TYR A 45 1.405 -19.677 -21.154 1.00 0.00 H new ATOM 725 N VAL A 46 6.910 -13.713 -18.055 1.00 0.00 N ATOM 726 CA VAL A 46 7.440 -12.356 -17.735 1.00 0.00 C ATOM 727 C VAL A 46 6.352 -11.328 -18.030 1.00 0.00 C ATOM 728 O VAL A 46 5.793 -11.303 -19.102 1.00 0.00 O ATOM 729 CB VAL A 46 8.672 -12.066 -18.596 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.401 -10.837 -18.050 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.612 -13.273 -18.561 1.00 0.00 C ATOM 0 H VAL A 46 7.215 -14.103 -18.947 1.00 0.00 H new ATOM 0 HA VAL A 46 7.725 -12.306 -16.684 1.00 0.00 H new ATOM 0 HB VAL A 46 8.360 -11.876 -19.623 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.278 -10.632 -18.664 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.732 -9.977 -18.074 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.713 -11.026 -17.023 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.490 -13.068 -19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.923 -13.463 -17.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.094 -14.149 -18.951 1.00 0.00 H new ATOM 741 N LEU A 47 6.028 -10.494 -17.083 1.00 0.00 N ATOM 742 CA LEU A 47 4.955 -9.487 -17.317 1.00 0.00 C ATOM 743 C LEU A 47 5.534 -8.072 -17.235 1.00 0.00 C ATOM 744 O LEU A 47 6.029 -7.653 -16.212 1.00 0.00 O ATOM 745 CB LEU A 47 3.871 -9.665 -16.254 1.00 0.00 C ATOM 746 CG LEU A 47 2.828 -8.559 -16.396 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.459 -9.094 -15.975 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.217 -7.383 -15.498 1.00 0.00 C ATOM 0 H LEU A 47 6.458 -10.465 -16.159 1.00 0.00 H new ATOM 0 HA LEU A 47 4.529 -9.632 -18.310 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.398 -10.641 -16.362 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.315 -9.635 -15.259 1.00 0.00 H new ATOM 0 HG LEU A 47 2.782 -8.227 -17.433 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.713 -8.305 -16.076 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.186 -9.935 -16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.501 -9.423 -14.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.476 -6.590 -15.595 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.259 -7.715 -14.461 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.194 -7.005 -15.797 1.00 0.00 H new ATOM 760 N LEU A 48 5.468 -7.331 -18.307 1.00 0.00 N ATOM 761 CA LEU A 48 6.011 -5.943 -18.298 1.00 0.00 C ATOM 762 C LEU A 48 4.860 -4.950 -18.127 1.00 0.00 C ATOM 763 O LEU A 48 4.013 -4.812 -18.985 1.00 0.00 O ATOM 764 CB LEU A 48 6.735 -5.671 -19.623 1.00 0.00 C ATOM 765 CG LEU A 48 6.966 -4.168 -19.790 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.944 -3.675 -18.722 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.551 -3.895 -21.178 1.00 0.00 C ATOM 0 H LEU A 48 5.059 -7.629 -19.193 1.00 0.00 H new ATOM 0 HA LEU A 48 6.713 -5.829 -17.472 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.689 -6.199 -19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.144 -6.052 -20.456 1.00 0.00 H new ATOM 0 HG LEU A 48 6.017 -3.643 -19.682 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.106 -2.604 -18.844 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.530 -3.869 -17.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.893 -4.200 -18.828 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.716 -2.824 -21.299 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.499 -4.423 -21.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.855 -4.243 -21.941 1.00 0.00 H new ATOM 779 N SER A 49 4.824 -4.256 -17.024 1.00 0.00 N ATOM 780 CA SER A 49 3.730 -3.274 -16.798 1.00 0.00 C ATOM 781 C SER A 49 4.250 -1.865 -17.051 1.00 0.00 C ATOM 782 O SER A 49 5.288 -1.470 -16.560 1.00 0.00 O ATOM 783 CB SER A 49 3.231 -3.385 -15.357 1.00 0.00 C ATOM 784 OG SER A 49 1.904 -2.884 -15.280 1.00 0.00 O ATOM 0 H SER A 49 5.506 -4.327 -16.269 1.00 0.00 H new ATOM 0 HA SER A 49 2.908 -3.485 -17.482 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.259 -4.424 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.884 -2.822 -14.690 1.00 0.00 H new ATOM 0 HG SER A 49 1.580 -2.955 -14.358 1.00 0.00 H new ATOM 790 N THR A 50 3.531 -1.113 -17.826 1.00 0.00 N ATOM 791 CA THR A 50 3.966 0.270 -18.139 1.00 0.00 C ATOM 792 C THR A 50 2.881 1.255 -17.687 1.00 0.00 C ATOM 793 O THR A 50 1.701 0.986 -17.794 1.00 0.00 O ATOM 794 CB THR A 50 4.188 0.362 -19.651 1.00 0.00 C ATOM 795 OG1 THR A 50 5.518 -0.032 -19.953 1.00 0.00 O ATOM 796 CG2 THR A 50 3.957 1.794 -20.148 1.00 0.00 C ATOM 0 H THR A 50 2.653 -1.399 -18.260 1.00 0.00 H new ATOM 0 HA THR A 50 4.891 0.519 -17.618 1.00 0.00 H new ATOM 0 HB THR A 50 3.478 -0.298 -20.150 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.122 0.729 -19.823 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.120 1.836 -21.225 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.934 2.096 -19.924 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.652 2.469 -19.649 1.00 0.00 H new ATOM 804 N ARG A 51 3.273 2.393 -17.182 1.00 0.00 N ATOM 805 CA ARG A 51 2.266 3.392 -16.726 1.00 0.00 C ATOM 806 C ARG A 51 2.717 4.795 -17.138 1.00 0.00 C ATOM 807 O ARG A 51 3.689 4.961 -17.848 1.00 0.00 O ATOM 808 CB ARG A 51 2.136 3.327 -15.202 1.00 0.00 C ATOM 809 CG ARG A 51 0.672 3.517 -14.805 1.00 0.00 C ATOM 810 CD ARG A 51 0.440 2.930 -13.411 1.00 0.00 C ATOM 811 NE ARG A 51 -0.736 2.014 -13.448 1.00 0.00 N ATOM 812 CZ ARG A 51 -1.533 1.935 -12.419 1.00 0.00 C ATOM 813 NH1 ARG A 51 -1.264 1.107 -11.446 1.00 0.00 N ATOM 814 NH2 ARG A 51 -2.601 2.683 -12.361 1.00 0.00 N ATOM 0 H ARG A 51 4.247 2.674 -17.066 1.00 0.00 H new ATOM 0 HA ARG A 51 1.302 3.170 -17.183 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.501 2.367 -14.836 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.752 4.099 -14.741 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.417 4.577 -14.812 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.021 3.028 -15.530 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.326 2.388 -13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.269 3.730 -12.691 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.917 1.449 -14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.430 0.521 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.888 1.046 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.813 3.330 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.224 2.621 -11.556 1.00 0.00 H new ATOM 828 N LYS A 52 2.018 5.807 -16.701 1.00 0.00 N ATOM 829 CA LYS A 52 2.408 7.197 -17.070 1.00 0.00 C ATOM 830 C LYS A 52 2.952 7.919 -15.836 1.00 0.00 C ATOM 831 O LYS A 52 2.837 7.442 -14.725 1.00 0.00 O ATOM 832 CB LYS A 52 1.182 7.945 -17.600 1.00 0.00 C ATOM 833 CG LYS A 52 0.227 8.245 -16.444 1.00 0.00 C ATOM 834 CD LYS A 52 -1.099 8.768 -16.999 1.00 0.00 C ATOM 835 CE LYS A 52 -2.246 8.316 -16.092 1.00 0.00 C ATOM 836 NZ LYS A 52 -2.915 7.127 -16.690 1.00 0.00 N ATOM 0 H LYS A 52 1.194 5.731 -16.105 1.00 0.00 H new ATOM 0 HA LYS A 52 3.178 7.167 -17.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.489 8.873 -18.082 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.676 7.345 -18.357 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.057 7.343 -15.856 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.670 8.983 -15.775 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.076 9.856 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.254 8.396 -18.012 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.865 8.071 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.965 9.126 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.694 6.820 -16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.292 7.375 -17.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.226 6.354 -16.788 1.00 0.00 H new ATOM 850 N THR A 53 3.545 9.067 -16.022 1.00 0.00 N ATOM 851 CA THR A 53 4.096 9.818 -14.859 1.00 0.00 C ATOM 852 C THR A 53 4.338 11.275 -15.261 1.00 0.00 C ATOM 853 O THR A 53 3.940 11.710 -16.323 1.00 0.00 O ATOM 854 CB THR A 53 5.419 9.185 -14.422 1.00 0.00 C ATOM 855 OG1 THR A 53 6.184 8.850 -15.571 1.00 0.00 O ATOM 856 CG2 THR A 53 5.137 7.920 -13.609 1.00 0.00 C ATOM 0 H THR A 53 3.671 9.517 -16.929 1.00 0.00 H new ATOM 0 HA THR A 53 3.385 9.781 -14.034 1.00 0.00 H new ATOM 0 HB THR A 53 5.976 9.893 -13.808 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.749 9.212 -16.371 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.080 7.470 -13.298 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.550 8.177 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.580 7.210 -14.221 1.00 0.00 H new ATOM 864 N GLY A 54 4.988 12.034 -14.420 1.00 0.00 N ATOM 865 CA GLY A 54 5.254 13.461 -14.756 1.00 0.00 C ATOM 866 C GLY A 54 6.499 13.555 -15.640 1.00 0.00 C ATOM 867 O GLY A 54 6.732 14.552 -16.296 1.00 0.00 O ATOM 0 H GLY A 54 5.346 11.727 -13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.395 13.890 -15.273 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.399 14.039 -13.844 1.00 0.00 H new ATOM 871 N SER A 55 7.303 12.527 -15.662 1.00 0.00 N ATOM 872 CA SER A 55 8.532 12.561 -16.504 1.00 0.00 C ATOM 873 C SER A 55 8.301 11.743 -17.778 1.00 0.00 C ATOM 874 O SER A 55 8.658 12.155 -18.864 1.00 0.00 O ATOM 875 CB SER A 55 9.702 11.965 -15.721 1.00 0.00 C ATOM 876 OG SER A 55 9.661 12.437 -14.382 1.00 0.00 O ATOM 0 H SER A 55 7.162 11.666 -15.134 1.00 0.00 H new ATOM 0 HA SER A 55 8.761 13.593 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.648 10.876 -15.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.647 12.244 -16.188 1.00 0.00 H new ATOM 0 HG SER A 55 10.409 12.055 -13.877 1.00 0.00 H new ATOM 882 N GLY A 56 7.706 10.588 -17.653 1.00 0.00 N ATOM 883 CA GLY A 56 7.454 9.746 -18.858 1.00 0.00 C ATOM 884 C GLY A 56 6.648 8.509 -18.458 1.00 0.00 C ATOM 885 O GLY A 56 5.618 8.607 -17.821 1.00 0.00 O ATOM 0 H GLY A 56 7.384 10.191 -16.770 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.910 10.320 -19.608 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.400 9.446 -19.309 1.00 0.00 H new ATOM 889 N PHE A 57 7.108 7.345 -18.828 1.00 0.00 N ATOM 890 CA PHE A 57 6.367 6.102 -18.468 1.00 0.00 C ATOM 891 C PHE A 57 7.175 5.304 -17.446 1.00 0.00 C ATOM 892 O PHE A 57 8.390 5.351 -17.425 1.00 0.00 O ATOM 893 CB PHE A 57 6.156 5.249 -19.720 1.00 0.00 C ATOM 894 CG PHE A 57 5.060 5.850 -20.565 1.00 0.00 C ATOM 895 CD1 PHE A 57 5.314 6.994 -21.330 1.00 0.00 C ATOM 896 CD2 PHE A 57 3.788 5.261 -20.585 1.00 0.00 C ATOM 897 CE1 PHE A 57 4.298 7.550 -22.115 1.00 0.00 C ATOM 898 CE2 PHE A 57 2.773 5.818 -21.371 1.00 0.00 C ATOM 899 CZ PHE A 57 3.027 6.963 -22.137 1.00 0.00 C ATOM 0 H PHE A 57 7.964 7.201 -19.364 1.00 0.00 H new ATOM 0 HA PHE A 57 5.400 6.370 -18.042 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.081 5.192 -20.294 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.893 4.230 -19.437 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.294 7.448 -21.314 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.592 4.378 -19.994 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.494 8.433 -22.705 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.793 5.365 -21.387 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.244 7.392 -22.744 1.00 0.00 H new ATOM 909 N SER A 58 6.511 4.562 -16.604 1.00 0.00 N ATOM 910 CA SER A 58 7.239 3.751 -15.589 1.00 0.00 C ATOM 911 C SER A 58 7.076 2.269 -15.926 1.00 0.00 C ATOM 912 O SER A 58 5.987 1.731 -15.881 1.00 0.00 O ATOM 913 CB SER A 58 6.658 4.027 -14.200 1.00 0.00 C ATOM 914 OG SER A 58 5.836 5.184 -14.258 1.00 0.00 O ATOM 0 H SER A 58 5.495 4.482 -16.575 1.00 0.00 H new ATOM 0 HA SER A 58 8.296 4.016 -15.595 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.077 3.170 -13.859 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.462 4.174 -13.479 1.00 0.00 H new ATOM 0 HG SER A 58 5.222 5.188 -13.494 1.00 0.00 H new ATOM 920 N TYR A 59 8.144 1.604 -16.273 1.00 0.00 N ATOM 921 CA TYR A 59 8.033 0.160 -16.621 1.00 0.00 C ATOM 922 C TYR A 59 8.251 -0.694 -15.370 1.00 0.00 C ATOM 923 O TYR A 59 8.884 -0.281 -14.419 1.00 0.00 O ATOM 924 CB TYR A 59 9.082 -0.202 -17.674 1.00 0.00 C ATOM 925 CG TYR A 59 9.077 0.834 -18.773 1.00 0.00 C ATOM 926 CD1 TYR A 59 9.755 2.047 -18.597 1.00 0.00 C ATOM 927 CD2 TYR A 59 8.395 0.581 -19.969 1.00 0.00 C ATOM 928 CE1 TYR A 59 9.750 3.005 -19.617 1.00 0.00 C ATOM 929 CE2 TYR A 59 8.390 1.540 -20.988 1.00 0.00 C ATOM 930 CZ TYR A 59 9.067 2.753 -20.812 1.00 0.00 C ATOM 931 OH TYR A 59 9.062 3.698 -21.818 1.00 0.00 O ATOM 0 H TYR A 59 9.084 1.996 -16.330 1.00 0.00 H new ATOM 0 HA TYR A 59 7.038 -0.033 -17.021 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.069 -0.255 -17.215 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.870 -1.188 -18.089 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.281 2.243 -17.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.873 -0.354 -20.105 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.274 3.940 -19.482 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.864 1.344 -21.911 1.00 0.00 H new ATOM 0 HH TYR A 59 9.892 4.218 -21.782 1.00 0.00 H new ATOM 941 N ASN A 60 7.725 -1.886 -15.375 1.00 0.00 N ATOM 942 CA ASN A 60 7.884 -2.792 -14.204 1.00 0.00 C ATOM 943 C ASN A 60 7.944 -4.228 -14.711 1.00 0.00 C ATOM 944 O ASN A 60 6.936 -4.868 -14.901 1.00 0.00 O ATOM 945 CB ASN A 60 6.686 -2.624 -13.268 1.00 0.00 C ATOM 946 CG ASN A 60 7.075 -1.714 -12.102 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.839 -0.783 -12.269 1.00 0.00 O ATOM 948 ND2 ASN A 60 6.577 -1.943 -10.917 1.00 0.00 N ATOM 0 H ASN A 60 7.186 -2.275 -16.148 1.00 0.00 H new ATOM 0 HA ASN A 60 8.797 -2.552 -13.660 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.843 -2.197 -13.811 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.364 -3.596 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.829 -1.341 -10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.936 -2.724 -10.775 1.00 0.00 H new ATOM 955 N ILE A 61 9.121 -4.730 -14.954 1.00 0.00 N ATOM 956 CA ILE A 61 9.245 -6.120 -15.470 1.00 0.00 C ATOM 957 C ILE A 61 9.050 -7.126 -14.339 1.00 0.00 C ATOM 958 O ILE A 61 9.602 -6.993 -13.266 1.00 0.00 O ATOM 959 CB ILE A 61 10.625 -6.309 -16.093 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.931 -5.132 -17.022 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.636 -7.608 -16.896 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.329 -5.302 -17.620 1.00 0.00 C ATOM 0 H ILE A 61 10.004 -4.237 -14.817 1.00 0.00 H new ATOM 0 HA ILE A 61 8.476 -6.288 -16.224 1.00 0.00 H new ATOM 0 HB ILE A 61 11.380 -6.355 -15.308 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.188 -5.080 -17.818 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.872 -4.194 -16.469 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.619 -7.750 -17.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.414 -8.446 -16.235 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.883 -7.556 -17.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.546 -4.463 -18.282 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.067 -5.332 -16.818 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.372 -6.232 -18.187 1.00 0.00 H new ATOM 974 N HIS A 62 8.268 -8.139 -14.588 1.00 0.00 N ATOM 975 CA HIS A 62 8.012 -9.177 -13.553 1.00 0.00 C ATOM 976 C HIS A 62 8.452 -10.531 -14.076 1.00 0.00 C ATOM 977 O HIS A 62 8.571 -10.737 -15.266 1.00 0.00 O ATOM 978 CB HIS A 62 6.512 -9.284 -13.289 1.00 0.00 C ATOM 979 CG HIS A 62 5.972 -7.980 -12.777 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.752 -6.782 -13.404 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.567 -7.802 -11.464 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.216 -5.869 -12.498 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.126 -6.536 -11.345 1.00 0.00 N flip ATOM 0 H HIS A 62 7.790 -8.293 -15.476 1.00 0.00 H new ATOM 0 HA HIS A 62 8.554 -8.901 -12.649 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.995 -9.563 -14.207 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.320 -10.074 -12.563 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.950 -6.588 -14.385 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.599 -8.544 -10.679 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.934 -4.844 -12.687 1.00 0.00 H new ATOM 991 N TYR A 63 8.629 -11.481 -13.208 1.00 0.00 N ATOM 992 CA TYR A 63 8.984 -12.831 -13.698 1.00 0.00 C ATOM 993 C TYR A 63 8.178 -13.875 -12.929 1.00 0.00 C ATOM 994 O TYR A 63 8.510 -14.271 -11.828 1.00 0.00 O ATOM 995 CB TYR A 63 10.495 -13.097 -13.603 1.00 0.00 C ATOM 996 CG TYR A 63 10.953 -13.212 -12.168 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.311 -12.065 -11.453 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.047 -14.471 -11.563 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.764 -12.175 -10.133 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.495 -14.582 -10.242 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.854 -13.435 -9.527 1.00 0.00 C ATOM 1002 OH TYR A 63 12.306 -13.547 -8.228 1.00 0.00 O ATOM 0 H TYR A 63 8.545 -11.383 -12.196 1.00 0.00 H new ATOM 0 HA TYR A 63 8.730 -12.897 -14.756 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.737 -14.016 -14.137 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.038 -12.290 -14.095 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.238 -11.094 -11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.774 -15.357 -12.116 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.044 -11.289 -9.582 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.564 -15.553 -9.775 1.00 0.00 H new ATOM 0 HH TYR A 63 12.902 -12.797 -8.023 1.00 0.00 H new ATOM 1012 N TRP A 64 7.101 -14.309 -13.526 1.00 0.00 N ATOM 1013 CA TRP A 64 6.216 -15.323 -12.892 1.00 0.00 C ATOM 1014 C TRP A 64 6.900 -16.680 -12.968 1.00 0.00 C ATOM 1015 O TRP A 64 7.496 -17.023 -13.966 1.00 0.00 O ATOM 1016 CB TRP A 64 4.897 -15.355 -13.662 1.00 0.00 C ATOM 1017 CG TRP A 64 3.846 -16.056 -12.871 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.455 -15.735 -11.615 1.00 0.00 C ATOM 1019 CD2 TRP A 64 3.032 -17.187 -13.276 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.455 -16.608 -11.227 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.158 -17.519 -12.218 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.975 -17.948 -14.453 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.252 -18.573 -12.324 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 2.063 -19.009 -14.565 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.204 -19.320 -13.502 1.00 0.00 C ATOM 0 H TRP A 64 6.793 -13.995 -14.446 1.00 0.00 H new ATOM 0 HA TRP A 64 6.023 -15.077 -11.848 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.575 -14.338 -13.885 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.039 -15.861 -14.617 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.857 -14.931 -11.016 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.993 -16.581 -10.318 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.635 -17.717 -15.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.593 -18.810 -11.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.023 -19.589 -15.475 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.505 -20.138 -13.594 1.00 0.00 H new ATOM 1036 N LEU A 65 6.855 -17.441 -11.912 1.00 0.00 N ATOM 1037 CA LEU A 65 7.548 -18.759 -11.925 1.00 0.00 C ATOM 1038 C LEU A 65 6.592 -19.888 -11.532 1.00 0.00 C ATOM 1039 O LEU A 65 6.795 -20.544 -10.534 1.00 0.00 O ATOM 1040 CB LEU A 65 8.693 -18.729 -10.902 1.00 0.00 C ATOM 1041 CG LEU A 65 9.988 -18.104 -11.464 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.005 -19.211 -11.728 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.747 -17.331 -12.766 1.00 0.00 C ATOM 0 H LEU A 65 6.371 -17.210 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 65 7.921 -18.940 -12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.375 -18.165 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.902 -19.746 -10.569 1.00 0.00 H new ATOM 0 HG LEU A 65 10.360 -17.398 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.922 -18.776 -12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.225 -19.733 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.596 -19.916 -12.451 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.689 -16.911 -13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.345 -18.006 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.036 -16.525 -12.584 1.00 0.00 H new ATOM 1055 N GLY A 66 5.576 -20.154 -12.310 1.00 0.00 N ATOM 1056 CA GLY A 66 4.666 -21.282 -11.947 1.00 0.00 C ATOM 1057 C GLY A 66 5.548 -22.497 -11.652 1.00 0.00 C ATOM 1058 O GLY A 66 6.007 -23.169 -12.555 1.00 0.00 O ATOM 0 H GLY A 66 5.339 -19.651 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.062 -21.025 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.975 -21.497 -12.762 1.00 0.00 H new ATOM 1062 N LYS A 67 5.820 -22.730 -10.390 1.00 0.00 N ATOM 1063 CA LYS A 67 6.721 -23.840 -9.955 1.00 0.00 C ATOM 1064 C LYS A 67 6.289 -25.210 -10.479 1.00 0.00 C ATOM 1065 O LYS A 67 5.575 -25.946 -9.827 1.00 0.00 O ATOM 1066 CB LYS A 67 6.750 -23.880 -8.427 1.00 0.00 C ATOM 1067 CG LYS A 67 8.145 -24.295 -7.953 1.00 0.00 C ATOM 1068 CD LYS A 67 9.173 -23.264 -8.425 1.00 0.00 C ATOM 1069 CE LYS A 67 10.448 -23.397 -7.591 1.00 0.00 C ATOM 1070 NZ LYS A 67 11.637 -23.316 -8.485 1.00 0.00 N ATOM 0 H LYS A 67 5.441 -22.177 -9.621 1.00 0.00 H new ATOM 0 HA LYS A 67 7.707 -23.636 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.493 -22.901 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.004 -24.584 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.163 -24.371 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.396 -25.280 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.399 -23.416 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.766 -22.258 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.489 -22.607 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.447 -24.346 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.504 -23.406 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.599 -24.085 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.639 -22.400 -8.978 1.00 0.00 H new ATOM 1084 N ASN A 68 6.772 -25.570 -11.628 1.00 0.00 N ATOM 1085 CA ASN A 68 6.464 -26.916 -12.198 1.00 0.00 C ATOM 1086 C ASN A 68 7.505 -27.245 -13.271 1.00 0.00 C ATOM 1087 O ASN A 68 7.943 -28.371 -13.404 1.00 0.00 O ATOM 1088 CB ASN A 68 5.070 -26.936 -12.816 1.00 0.00 C ATOM 1089 CG ASN A 68 4.017 -26.766 -11.719 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.764 -25.668 -11.266 1.00 0.00 O ATOM 1091 ND2 ASN A 68 3.389 -27.817 -11.266 1.00 0.00 N ATOM 0 H ASN A 68 7.375 -24.987 -12.208 1.00 0.00 H new ATOM 0 HA ASN A 68 6.495 -27.657 -11.400 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.976 -26.136 -13.551 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.910 -27.875 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.687 -27.715 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.600 -28.740 -11.645 1.00 0.00 H new ATOM 1098 N SER A 69 7.907 -26.264 -14.035 1.00 0.00 N ATOM 1099 CA SER A 69 8.924 -26.507 -15.097 1.00 0.00 C ATOM 1100 C SER A 69 10.268 -26.847 -14.447 1.00 0.00 C ATOM 1101 O SER A 69 10.323 -27.467 -13.404 1.00 0.00 O ATOM 1102 CB SER A 69 9.071 -25.249 -15.953 1.00 0.00 C ATOM 1103 OG SER A 69 9.813 -24.275 -15.230 1.00 0.00 O ATOM 0 H SER A 69 7.573 -25.302 -13.968 1.00 0.00 H new ATOM 0 HA SER A 69 8.606 -27.339 -15.726 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.577 -25.488 -16.888 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.089 -24.855 -16.214 1.00 0.00 H new ATOM 0 HG SER A 69 9.529 -23.378 -15.503 1.00 0.00 H new ATOM 1109 N SER A 70 11.352 -26.449 -15.055 1.00 0.00 N ATOM 1110 CA SER A 70 12.688 -26.756 -14.469 1.00 0.00 C ATOM 1111 C SER A 70 13.381 -25.458 -14.043 1.00 0.00 C ATOM 1112 O SER A 70 13.062 -24.381 -14.514 1.00 0.00 O ATOM 1113 CB SER A 70 13.548 -27.472 -15.511 1.00 0.00 C ATOM 1114 OG SER A 70 13.328 -26.884 -16.786 1.00 0.00 O ATOM 0 H SER A 70 11.371 -25.926 -15.930 1.00 0.00 H new ATOM 0 HA SER A 70 12.558 -27.397 -13.597 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.602 -27.400 -15.241 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.298 -28.533 -15.539 1.00 0.00 H new ATOM 0 HG SER A 70 14.041 -27.158 -17.400 1.00 0.00 H new ATOM 1120 N GLN A 71 14.329 -25.554 -13.151 1.00 0.00 N ATOM 1121 CA GLN A 71 15.047 -24.333 -12.692 1.00 0.00 C ATOM 1122 C GLN A 71 15.538 -23.546 -13.906 1.00 0.00 C ATOM 1123 O GLN A 71 15.567 -22.331 -13.901 1.00 0.00 O ATOM 1124 CB GLN A 71 16.242 -24.739 -11.827 1.00 0.00 C ATOM 1125 CG GLN A 71 15.988 -24.321 -10.378 1.00 0.00 C ATOM 1126 CD GLN A 71 17.324 -24.136 -9.657 1.00 0.00 C ATOM 1127 OE1 GLN A 71 17.432 -23.337 -8.749 1.00 0.00 O ATOM 1128 NE2 GLN A 71 18.354 -24.848 -10.025 1.00 0.00 N ATOM 0 H GLN A 71 14.637 -26.426 -12.721 1.00 0.00 H new ATOM 0 HA GLN A 71 14.371 -23.711 -12.106 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.396 -25.816 -11.884 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.151 -24.266 -12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.417 -23.393 -10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.390 -25.078 -9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.264 -25.519 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.249 -24.733 -9.550 1.00 0.00 H new ATOM 1137 N ASP A 72 15.923 -24.226 -14.951 1.00 0.00 N ATOM 1138 CA ASP A 72 16.406 -23.509 -16.163 1.00 0.00 C ATOM 1139 C ASP A 72 15.307 -22.575 -16.661 1.00 0.00 C ATOM 1140 O ASP A 72 15.551 -21.423 -16.957 1.00 0.00 O ATOM 1141 CB ASP A 72 16.757 -24.522 -17.255 1.00 0.00 C ATOM 1142 CG ASP A 72 15.601 -25.509 -17.425 1.00 0.00 C ATOM 1143 OD1 ASP A 72 14.652 -25.166 -18.111 1.00 0.00 O ATOM 1144 OD2 ASP A 72 15.684 -26.590 -16.866 1.00 0.00 O ATOM 0 H ASP A 72 15.924 -25.244 -15.017 1.00 0.00 H new ATOM 0 HA ASP A 72 17.296 -22.929 -15.917 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.950 -24.006 -18.196 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.670 -25.056 -16.991 1.00 0.00 H new ATOM 1149 N GLU A 73 14.096 -23.050 -16.741 1.00 0.00 N ATOM 1150 CA GLU A 73 12.995 -22.163 -17.201 1.00 0.00 C ATOM 1151 C GLU A 73 12.949 -20.951 -16.278 1.00 0.00 C ATOM 1152 O GLU A 73 12.703 -19.841 -16.704 1.00 0.00 O ATOM 1153 CB GLU A 73 11.665 -22.917 -17.147 1.00 0.00 C ATOM 1154 CG GLU A 73 11.581 -23.887 -18.328 1.00 0.00 C ATOM 1155 CD GLU A 73 11.888 -23.139 -19.625 1.00 0.00 C ATOM 1156 OE1 GLU A 73 11.458 -22.004 -19.749 1.00 0.00 O ATOM 1157 OE2 GLU A 73 12.552 -23.712 -20.474 1.00 0.00 O ATOM 0 H GLU A 73 13.823 -24.005 -16.510 1.00 0.00 H new ATOM 0 HA GLU A 73 13.167 -21.845 -18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.582 -23.463 -16.207 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.834 -22.213 -17.181 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.288 -24.705 -18.191 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.587 -24.330 -18.378 1.00 0.00 H new ATOM 1164 N GLN A 74 13.214 -21.152 -15.016 1.00 0.00 N ATOM 1165 CA GLN A 74 13.215 -20.001 -14.076 1.00 0.00 C ATOM 1166 C GLN A 74 14.322 -19.040 -14.509 1.00 0.00 C ATOM 1167 O GLN A 74 14.183 -17.836 -14.423 1.00 0.00 O ATOM 1168 CB GLN A 74 13.480 -20.495 -12.649 1.00 0.00 C ATOM 1169 CG GLN A 74 13.909 -19.321 -11.764 1.00 0.00 C ATOM 1170 CD GLN A 74 15.409 -19.419 -11.475 1.00 0.00 C ATOM 1171 OE1 GLN A 74 16.218 -18.893 -12.213 1.00 0.00 O ATOM 1172 NE2 GLN A 74 15.815 -20.077 -10.423 1.00 0.00 N ATOM 0 H GLN A 74 13.428 -22.058 -14.599 1.00 0.00 H new ATOM 0 HA GLN A 74 12.249 -19.497 -14.092 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.581 -20.959 -12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.258 -21.259 -12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.685 -18.377 -12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.347 -19.332 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.135 -20.518 -9.804 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.812 -20.150 -10.220 1.00 0.00 H new ATOM 1181 N GLY A 75 15.418 -19.566 -14.989 1.00 0.00 N ATOM 1182 CA GLY A 75 16.528 -18.684 -15.443 1.00 0.00 C ATOM 1183 C GLY A 75 16.226 -18.193 -16.859 1.00 0.00 C ATOM 1184 O GLY A 75 16.863 -17.292 -17.366 1.00 0.00 O ATOM 0 H GLY A 75 15.590 -20.567 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.637 -17.837 -14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.472 -19.228 -15.427 1.00 0.00 H new ATOM 1188 N ALA A 76 15.251 -18.778 -17.504 1.00 0.00 N ATOM 1189 CA ALA A 76 14.903 -18.344 -18.885 1.00 0.00 C ATOM 1190 C ALA A 76 14.087 -17.053 -18.818 1.00 0.00 C ATOM 1191 O ALA A 76 14.424 -16.061 -19.431 1.00 0.00 O ATOM 1192 CB ALA A 76 14.079 -19.435 -19.569 1.00 0.00 C ATOM 0 H ALA A 76 14.681 -19.538 -17.132 1.00 0.00 H new ATOM 0 HA ALA A 76 15.816 -18.169 -19.455 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.824 -19.118 -20.580 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.660 -20.356 -19.613 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.165 -19.610 -19.002 1.00 0.00 H new ATOM 1198 N ALA A 77 13.016 -17.057 -18.073 1.00 0.00 N ATOM 1199 CA ALA A 77 12.181 -15.825 -17.965 1.00 0.00 C ATOM 1200 C ALA A 77 12.910 -14.792 -17.106 1.00 0.00 C ATOM 1201 O ALA A 77 12.808 -13.602 -17.326 1.00 0.00 O ATOM 1202 CB ALA A 77 10.842 -16.167 -17.312 1.00 0.00 C ATOM 0 H ALA A 77 12.683 -17.857 -17.535 1.00 0.00 H new ATOM 0 HA ALA A 77 12.007 -15.419 -18.961 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.234 -15.265 -17.234 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.319 -16.906 -17.919 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.016 -16.574 -16.316 1.00 0.00 H new ATOM 1208 N ALA A 78 13.642 -15.238 -16.122 1.00 0.00 N ATOM 1209 CA ALA A 78 14.373 -14.284 -15.243 1.00 0.00 C ATOM 1210 C ALA A 78 15.558 -13.685 -16.002 1.00 0.00 C ATOM 1211 O ALA A 78 15.834 -12.506 -15.908 1.00 0.00 O ATOM 1212 CB ALA A 78 14.881 -15.023 -14.003 1.00 0.00 C ATOM 0 H ALA A 78 13.765 -16.223 -15.889 1.00 0.00 H new ATOM 0 HA ALA A 78 13.699 -13.483 -14.941 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.417 -14.326 -13.358 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.036 -15.445 -13.459 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.553 -15.825 -14.307 1.00 0.00 H new ATOM 1218 N ILE A 79 16.269 -14.486 -16.750 1.00 0.00 N ATOM 1219 CA ILE A 79 17.437 -13.950 -17.502 1.00 0.00 C ATOM 1220 C ILE A 79 16.955 -13.028 -18.624 1.00 0.00 C ATOM 1221 O ILE A 79 17.486 -11.953 -18.819 1.00 0.00 O ATOM 1222 CB ILE A 79 18.245 -15.099 -18.102 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.956 -15.861 -16.980 1.00 0.00 C ATOM 1224 CG2 ILE A 79 19.285 -14.531 -19.069 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.645 -17.097 -17.559 1.00 0.00 C ATOM 0 H ILE A 79 16.092 -15.483 -16.872 1.00 0.00 H new ATOM 0 HA ILE A 79 18.068 -13.386 -16.815 1.00 0.00 H new ATOM 0 HB ILE A 79 17.579 -15.777 -18.636 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.689 -15.216 -16.496 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.238 -16.157 -16.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.865 -15.347 -19.500 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.781 -13.984 -19.865 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.952 -13.857 -18.531 1.00 0.00 H new ATOM 0 HD11 ILE A 79 20.151 -17.639 -16.760 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.901 -17.745 -18.022 1.00 0.00 H new ATOM 0 HD13 ILE A 79 20.375 -16.789 -18.308 1.00 0.00 H new ATOM 1237 N TYR A 80 15.951 -13.425 -19.362 1.00 0.00 N ATOM 1238 CA TYR A 80 15.465 -12.539 -20.452 1.00 0.00 C ATOM 1239 C TYR A 80 14.821 -11.312 -19.808 1.00 0.00 C ATOM 1240 O TYR A 80 14.839 -10.226 -20.351 1.00 0.00 O ATOM 1241 CB TYR A 80 14.441 -13.278 -21.319 1.00 0.00 C ATOM 1242 CG TYR A 80 15.141 -14.291 -22.205 1.00 0.00 C ATOM 1243 CD1 TYR A 80 16.094 -15.171 -21.669 1.00 0.00 C ATOM 1244 CD2 TYR A 80 14.834 -14.352 -23.571 1.00 0.00 C ATOM 1245 CE1 TYR A 80 16.735 -16.101 -22.496 1.00 0.00 C ATOM 1246 CE2 TYR A 80 15.476 -15.282 -24.396 1.00 0.00 C ATOM 1247 CZ TYR A 80 16.426 -16.157 -23.859 1.00 0.00 C ATOM 1248 OH TYR A 80 17.058 -17.074 -24.673 1.00 0.00 O ATOM 0 H TYR A 80 15.456 -14.310 -19.258 1.00 0.00 H new ATOM 0 HA TYR A 80 16.295 -12.239 -21.092 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.712 -13.781 -20.684 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.891 -12.565 -21.933 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.333 -15.131 -20.617 1.00 0.00 H new ATOM 0 HD2 TYR A 80 14.100 -13.679 -23.988 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.469 -16.776 -22.081 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.238 -15.324 -25.449 1.00 0.00 H new ATOM 0 HH TYR A 80 16.727 -16.980 -25.591 1.00 0.00 H new ATOM 1258 N THR A 81 14.276 -11.479 -18.633 1.00 0.00 N ATOM 1259 CA THR A 81 13.655 -10.327 -17.925 1.00 0.00 C ATOM 1260 C THR A 81 14.769 -9.378 -17.491 1.00 0.00 C ATOM 1261 O THR A 81 14.562 -8.196 -17.300 1.00 0.00 O ATOM 1262 CB THR A 81 12.900 -10.836 -16.692 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.716 -11.502 -17.106 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.535 -9.658 -15.785 1.00 0.00 C ATOM 0 H THR A 81 14.235 -12.367 -18.133 1.00 0.00 H new ATOM 0 HA THR A 81 12.955 -9.809 -18.580 1.00 0.00 H new ATOM 0 HB THR A 81 13.535 -11.529 -16.140 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.953 -12.307 -17.611 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.998 -10.025 -14.910 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.445 -9.149 -15.466 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.902 -8.960 -16.332 1.00 0.00 H new ATOM 1272 N THR A 82 15.959 -9.897 -17.343 1.00 0.00 N ATOM 1273 CA THR A 82 17.110 -9.048 -16.932 1.00 0.00 C ATOM 1274 C THR A 82 17.514 -8.156 -18.109 1.00 0.00 C ATOM 1275 O THR A 82 17.676 -6.960 -17.969 1.00 0.00 O ATOM 1276 CB THR A 82 18.282 -9.957 -16.534 1.00 0.00 C ATOM 1277 OG1 THR A 82 18.073 -10.439 -15.214 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.599 -9.180 -16.588 1.00 0.00 C ATOM 0 H THR A 82 16.182 -10.881 -17.491 1.00 0.00 H new ATOM 0 HA THR A 82 16.836 -8.422 -16.083 1.00 0.00 H new ATOM 0 HB THR A 82 18.336 -10.793 -17.232 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.385 -11.137 -15.226 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.421 -9.837 -16.303 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.763 -8.812 -17.601 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.553 -8.337 -15.898 1.00 0.00 H new ATOM 1286 N GLN A 83 17.674 -8.730 -19.270 1.00 0.00 N ATOM 1287 CA GLN A 83 18.065 -7.918 -20.456 1.00 0.00 C ATOM 1288 C GLN A 83 17.009 -6.840 -20.703 1.00 0.00 C ATOM 1289 O GLN A 83 17.324 -5.697 -20.976 1.00 0.00 O ATOM 1290 CB GLN A 83 18.161 -8.825 -21.684 1.00 0.00 C ATOM 1291 CG GLN A 83 19.587 -9.362 -21.814 1.00 0.00 C ATOM 1292 CD GLN A 83 19.566 -10.680 -22.589 1.00 0.00 C ATOM 1293 OE1 GLN A 83 19.464 -11.740 -22.004 1.00 0.00 O ATOM 1294 NE2 GLN A 83 19.661 -10.660 -23.890 1.00 0.00 N ATOM 0 H GLN A 83 17.551 -9.727 -19.448 1.00 0.00 H new ATOM 0 HA GLN A 83 19.031 -7.448 -20.274 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.457 -9.652 -21.594 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.887 -8.270 -22.581 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.215 -8.635 -22.329 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.021 -9.516 -20.826 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.747 -9.770 -24.381 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.650 -11.534 -24.416 1.00 0.00 H new ATOM 1303 N MET A 84 15.756 -7.193 -20.611 1.00 0.00 N ATOM 1304 CA MET A 84 14.680 -6.189 -20.842 1.00 0.00 C ATOM 1305 C MET A 84 14.888 -4.991 -19.913 1.00 0.00 C ATOM 1306 O MET A 84 14.669 -3.857 -20.289 1.00 0.00 O ATOM 1307 CB MET A 84 13.319 -6.827 -20.554 1.00 0.00 C ATOM 1308 CG MET A 84 12.835 -7.580 -21.796 1.00 0.00 C ATOM 1309 SD MET A 84 11.054 -7.324 -22.002 1.00 0.00 S ATOM 1310 CE MET A 84 10.603 -9.058 -22.255 1.00 0.00 C ATOM 0 H MET A 84 15.431 -8.133 -20.386 1.00 0.00 H new ATOM 0 HA MET A 84 14.714 -5.853 -21.878 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.398 -7.511 -19.709 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.597 -6.059 -20.277 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.368 -7.227 -22.679 1.00 0.00 H new ATOM 0 HG3 MET A 84 13.051 -8.644 -21.697 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.352 -9.219 -23.303 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.443 -9.696 -21.981 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.742 -9.304 -21.633 1.00 0.00 H new ATOM 1320 N ASP A 85 15.314 -5.233 -18.703 1.00 0.00 N ATOM 1321 CA ASP A 85 15.537 -4.106 -17.753 1.00 0.00 C ATOM 1322 C ASP A 85 16.637 -3.192 -18.295 1.00 0.00 C ATOM 1323 O ASP A 85 16.544 -1.983 -18.226 1.00 0.00 O ATOM 1324 CB ASP A 85 15.961 -4.661 -16.392 1.00 0.00 C ATOM 1325 CG ASP A 85 16.053 -3.515 -15.382 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.013 -3.006 -14.998 1.00 0.00 O ATOM 1327 OD2 ASP A 85 17.161 -3.168 -15.009 1.00 0.00 O ATOM 0 H ASP A 85 15.517 -6.161 -18.332 1.00 0.00 H new ATOM 0 HA ASP A 85 14.614 -3.538 -17.642 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.241 -5.405 -16.050 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.924 -5.164 -16.476 1.00 0.00 H new ATOM 1332 N GLU A 86 17.682 -3.760 -18.832 1.00 0.00 N ATOM 1333 CA GLU A 86 18.788 -2.924 -19.375 1.00 0.00 C ATOM 1334 C GLU A 86 18.524 -2.614 -20.851 1.00 0.00 C ATOM 1335 O GLU A 86 19.338 -2.013 -21.523 1.00 0.00 O ATOM 1336 CB GLU A 86 20.110 -3.681 -19.245 1.00 0.00 C ATOM 1337 CG GLU A 86 20.273 -4.182 -17.808 1.00 0.00 C ATOM 1338 CD GLU A 86 21.716 -3.960 -17.350 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.573 -4.721 -17.767 1.00 0.00 O ATOM 1340 OE2 GLU A 86 21.939 -3.032 -16.590 1.00 0.00 O ATOM 0 H GLU A 86 17.817 -4.767 -18.918 1.00 0.00 H new ATOM 0 HA GLU A 86 18.843 -1.991 -18.813 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.130 -4.522 -19.939 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.942 -3.029 -19.511 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.585 -3.654 -17.147 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.021 -5.241 -17.750 1.00 0.00 H new ATOM 1347 N TYR A 87 17.393 -3.019 -21.362 1.00 0.00 N ATOM 1348 CA TYR A 87 17.085 -2.746 -22.793 1.00 0.00 C ATOM 1349 C TYR A 87 16.003 -1.670 -22.888 1.00 0.00 C ATOM 1350 O TYR A 87 15.766 -1.104 -23.938 1.00 0.00 O ATOM 1351 CB TYR A 87 16.586 -4.029 -23.461 1.00 0.00 C ATOM 1352 CG TYR A 87 17.183 -4.140 -24.844 1.00 0.00 C ATOM 1353 CD1 TYR A 87 16.746 -3.287 -25.864 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.172 -5.094 -25.104 1.00 0.00 C ATOM 1355 CE1 TYR A 87 17.299 -3.389 -27.146 1.00 0.00 C ATOM 1356 CE2 TYR A 87 18.727 -5.196 -26.385 1.00 0.00 C ATOM 1357 CZ TYR A 87 18.290 -4.344 -27.407 1.00 0.00 C ATOM 1358 OH TYR A 87 18.835 -4.445 -28.670 1.00 0.00 O ATOM 0 H TYR A 87 16.671 -3.526 -20.851 1.00 0.00 H new ATOM 0 HA TYR A 87 17.987 -2.399 -23.297 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.865 -4.896 -22.862 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.498 -4.021 -23.522 1.00 0.00 H new ATOM 0 HD1 TYR A 87 15.982 -2.550 -25.662 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.508 -5.752 -24.316 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.962 -2.732 -27.934 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.492 -5.932 -26.585 1.00 0.00 H new ATOM 0 HH TYR A 87 19.509 -5.156 -28.680 1.00 0.00 H new ATOM 1368 N LEU A 88 15.343 -1.381 -21.801 1.00 0.00 N ATOM 1369 CA LEU A 88 14.277 -0.341 -21.831 1.00 0.00 C ATOM 1370 C LEU A 88 14.897 1.036 -21.588 1.00 0.00 C ATOM 1371 O LEU A 88 14.912 1.883 -22.458 1.00 0.00 O ATOM 1372 CB LEU A 88 13.244 -0.637 -20.742 1.00 0.00 C ATOM 1373 CG LEU A 88 12.362 -1.808 -21.183 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.738 -2.472 -19.954 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.251 -1.291 -22.099 1.00 0.00 C ATOM 0 H LEU A 88 15.496 -1.820 -20.893 1.00 0.00 H new ATOM 0 HA LEU A 88 13.789 -0.350 -22.806 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.746 -0.878 -19.805 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.631 0.245 -20.557 1.00 0.00 H new ATOM 0 HG LEU A 88 12.970 -2.537 -21.720 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.110 -3.305 -20.270 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.528 -2.840 -19.299 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.131 -1.744 -19.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.622 -2.124 -22.414 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.645 -0.562 -21.561 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.693 -0.818 -22.976 1.00 0.00 H new ATOM 1387 N GLY A 89 15.413 1.268 -20.412 1.00 0.00 N ATOM 1388 CA GLY A 89 16.031 2.593 -20.119 1.00 0.00 C ATOM 1389 C GLY A 89 16.363 2.686 -18.629 1.00 0.00 C ATOM 1390 O GLY A 89 16.232 3.728 -18.018 1.00 0.00 O ATOM 0 H GLY A 89 15.434 0.599 -19.642 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.936 2.723 -20.712 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.348 3.394 -20.400 1.00 0.00 H new ATOM 1394 N SER A 90 16.795 1.605 -18.039 1.00 0.00 N ATOM 1395 CA SER A 90 17.135 1.634 -16.588 1.00 0.00 C ATOM 1396 C SER A 90 15.986 2.270 -15.806 1.00 0.00 C ATOM 1397 O SER A 90 16.167 2.764 -14.710 1.00 0.00 O ATOM 1398 CB SER A 90 18.410 2.451 -16.380 1.00 0.00 C ATOM 1399 OG SER A 90 19.529 1.702 -16.836 1.00 0.00 O ATOM 0 H SER A 90 16.927 0.704 -18.498 1.00 0.00 H new ATOM 0 HA SER A 90 17.294 0.616 -16.232 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.344 3.394 -16.923 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.529 2.698 -15.325 1.00 0.00 H new ATOM 0 HG SER A 90 20.348 2.225 -16.705 1.00 0.00 H new ATOM 1405 N VAL A 91 14.803 2.260 -16.356 1.00 0.00 N ATOM 1406 CA VAL A 91 13.644 2.863 -15.641 1.00 0.00 C ATOM 1407 C VAL A 91 12.685 1.752 -15.211 1.00 0.00 C ATOM 1408 O VAL A 91 11.946 1.891 -14.256 1.00 0.00 O ATOM 1409 CB VAL A 91 12.913 3.830 -16.574 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.827 5.009 -16.908 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.530 3.103 -17.864 1.00 0.00 C ATOM 0 H VAL A 91 14.589 1.860 -17.270 1.00 0.00 H new ATOM 0 HA VAL A 91 13.998 3.404 -14.764 1.00 0.00 H new ATOM 0 HB VAL A 91 12.013 4.197 -16.081 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.305 5.697 -17.573 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.101 5.529 -15.990 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.728 4.643 -17.400 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.009 3.792 -18.529 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.431 2.735 -18.356 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.877 2.263 -17.628 1.00 0.00 H new ATOM 1421 N ALA A 92 12.691 0.651 -15.909 1.00 0.00 N ATOM 1422 CA ALA A 92 11.779 -0.468 -15.543 1.00 0.00 C ATOM 1423 C ALA A 92 12.175 -1.023 -14.173 1.00 0.00 C ATOM 1424 O ALA A 92 13.185 -0.651 -13.609 1.00 0.00 O ATOM 1425 CB ALA A 92 11.885 -1.576 -16.591 1.00 0.00 C ATOM 0 H ALA A 92 13.288 0.478 -16.717 1.00 0.00 H new ATOM 0 HA ALA A 92 10.753 -0.101 -15.504 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.218 -2.395 -16.323 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.602 -1.182 -17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.911 -1.942 -16.631 1.00 0.00 H new ATOM 1431 N VAL A 93 11.384 -1.909 -13.634 1.00 0.00 N ATOM 1432 CA VAL A 93 11.709 -2.489 -12.303 1.00 0.00 C ATOM 1433 C VAL A 93 11.707 -4.015 -12.402 1.00 0.00 C ATOM 1434 O VAL A 93 11.419 -4.578 -13.438 1.00 0.00 O ATOM 1435 CB VAL A 93 10.653 -2.049 -11.285 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.184 -2.269 -9.869 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.338 -0.566 -11.486 1.00 0.00 C ATOM 0 H VAL A 93 10.525 -2.256 -14.060 1.00 0.00 H new ATOM 0 HA VAL A 93 12.692 -2.142 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 93 9.746 -2.637 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.432 -1.955 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.408 -3.326 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.092 -1.683 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.586 -0.252 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.245 0.021 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.957 -0.408 -12.495 1.00 0.00 H new ATOM 1447 N GLN A 94 12.017 -4.691 -11.334 1.00 0.00 N ATOM 1448 CA GLN A 94 12.019 -6.178 -11.375 1.00 0.00 C ATOM 1449 C GLN A 94 11.114 -6.709 -10.262 1.00 0.00 C ATOM 1450 O GLN A 94 11.195 -6.284 -9.127 1.00 0.00 O ATOM 1451 CB GLN A 94 13.445 -6.696 -11.172 1.00 0.00 C ATOM 1452 CG GLN A 94 13.744 -7.788 -12.200 1.00 0.00 C ATOM 1453 CD GLN A 94 14.936 -8.622 -11.728 1.00 0.00 C ATOM 1454 OE1 GLN A 94 16.053 -8.399 -12.152 1.00 0.00 O ATOM 1455 NE2 GLN A 94 14.747 -9.579 -10.862 1.00 0.00 N ATOM 0 H GLN A 94 12.269 -4.279 -10.435 1.00 0.00 H new ATOM 0 HA GLN A 94 11.650 -6.520 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.158 -5.878 -11.277 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.559 -7.091 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.870 -8.426 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.962 -7.340 -13.169 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.810 -9.767 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.536 -10.140 -10.541 1.00 0.00 H new ATOM 1464 N HIS A 95 10.244 -7.626 -10.579 1.00 0.00 N ATOM 1465 CA HIS A 95 9.325 -8.175 -9.542 1.00 0.00 C ATOM 1466 C HIS A 95 9.393 -9.702 -9.556 1.00 0.00 C ATOM 1467 O HIS A 95 9.693 -10.307 -10.565 1.00 0.00 O ATOM 1468 CB HIS A 95 7.902 -7.723 -9.852 1.00 0.00 C ATOM 1469 CG HIS A 95 7.928 -6.294 -10.322 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.887 -5.744 -11.578 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.017 -5.224 -9.444 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 7.950 -4.357 -11.487 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.028 -4.096 -10.180 1.00 0.00 N flip ATOM 0 H HIS A 95 10.129 -8.020 -11.513 1.00 0.00 H new ATOM 0 HA HIS A 95 9.620 -7.813 -8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.463 -8.362 -10.618 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.277 -7.815 -8.964 1.00 0.00 H new ATOM 0 HD1 HIS A 95 7.820 -6.272 -12.448 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.068 -5.284 -8.367 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.938 -3.645 -12.299 1.00 0.00 H new ATOM 1481 N ARG A 96 9.125 -10.331 -8.444 1.00 0.00 N ATOM 1482 CA ARG A 96 9.186 -11.820 -8.398 1.00 0.00 C ATOM 1483 C ARG A 96 7.795 -12.402 -8.143 1.00 0.00 C ATOM 1484 O ARG A 96 7.082 -11.967 -7.260 1.00 0.00 O ATOM 1485 CB ARG A 96 10.122 -12.249 -7.267 1.00 0.00 C ATOM 1486 CG ARG A 96 10.026 -13.764 -7.073 1.00 0.00 C ATOM 1487 CD ARG A 96 11.002 -14.203 -5.980 1.00 0.00 C ATOM 1488 NE ARG A 96 11.590 -15.524 -6.340 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.871 -16.608 -6.239 1.00 0.00 C ATOM 1490 NH1 ARG A 96 10.727 -17.191 -5.081 1.00 0.00 N ATOM 1491 NH2 ARG A 96 10.296 -17.111 -7.298 1.00 0.00 N ATOM 0 H ARG A 96 8.867 -9.879 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 96 9.556 -12.189 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.148 -11.966 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.854 -11.736 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.008 -14.042 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.256 -14.276 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.792 -13.461 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.486 -14.272 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 96 12.555 -15.581 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.177 -16.799 -4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.165 -18.038 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.409 -16.656 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.734 -17.958 -7.219 1.00 0.00 H new ATOM 1505 N GLU A 97 7.411 -13.396 -8.898 1.00 0.00 N ATOM 1506 CA GLU A 97 6.075 -14.020 -8.685 1.00 0.00 C ATOM 1507 C GLU A 97 6.198 -15.537 -8.852 1.00 0.00 C ATOM 1508 O GLU A 97 7.187 -16.037 -9.351 1.00 0.00 O ATOM 1509 CB GLU A 97 5.075 -13.467 -9.697 1.00 0.00 C ATOM 1510 CG GLU A 97 5.071 -11.938 -9.629 1.00 0.00 C ATOM 1511 CD GLU A 97 4.118 -11.382 -10.691 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.239 -11.786 -11.836 1.00 0.00 O ATOM 1513 OE2 GLU A 97 3.286 -10.562 -10.340 1.00 0.00 O ATOM 0 H GLU A 97 7.965 -13.802 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 97 5.721 -13.790 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.339 -13.796 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.078 -13.853 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.760 -11.608 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.078 -11.553 -9.792 1.00 0.00 H new ATOM 1520 N VAL A 98 5.214 -16.278 -8.417 1.00 0.00 N ATOM 1521 CA VAL A 98 5.288 -17.762 -8.527 1.00 0.00 C ATOM 1522 C VAL A 98 3.868 -18.341 -8.543 1.00 0.00 C ATOM 1523 O VAL A 98 2.910 -17.639 -8.795 1.00 0.00 O ATOM 1524 CB VAL A 98 6.039 -18.296 -7.306 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.701 -19.629 -7.644 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.119 -17.296 -6.882 1.00 0.00 C ATOM 0 H VAL A 98 4.361 -15.918 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 98 5.804 -18.049 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 98 5.329 -18.437 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.234 -20.003 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.938 -20.349 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.404 -19.488 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.651 -17.682 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.822 -17.151 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.654 -16.343 -6.630 1.00 0.00 H new ATOM 1536 N GLN A 99 3.720 -19.613 -8.263 1.00 0.00 N ATOM 1537 CA GLN A 99 2.359 -20.224 -8.246 1.00 0.00 C ATOM 1538 C GLN A 99 1.708 -19.925 -6.894 1.00 0.00 C ATOM 1539 O GLN A 99 1.586 -20.782 -6.042 1.00 0.00 O ATOM 1540 CB GLN A 99 2.467 -21.738 -8.447 1.00 0.00 C ATOM 1541 CG GLN A 99 3.287 -22.353 -7.310 1.00 0.00 C ATOM 1542 CD GLN A 99 3.897 -23.675 -7.780 1.00 0.00 C ATOM 1543 OE1 GLN A 99 4.192 -23.841 -8.947 1.00 0.00 O ATOM 1544 NE2 GLN A 99 4.101 -24.631 -6.914 1.00 0.00 N ATOM 0 H GLN A 99 4.484 -20.253 -8.046 1.00 0.00 H new ATOM 0 HA GLN A 99 1.754 -19.807 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.472 -22.183 -8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.938 -21.954 -9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.075 -21.666 -7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.653 -22.522 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.854 -24.493 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.508 -25.516 -7.218 1.00 0.00 H new ATOM 1553 N GLY A 100 1.314 -18.702 -6.690 1.00 0.00 N ATOM 1554 CA GLY A 100 0.694 -18.304 -5.397 1.00 0.00 C ATOM 1555 C GLY A 100 1.283 -16.955 -4.991 1.00 0.00 C ATOM 1556 O GLY A 100 0.723 -16.227 -4.195 1.00 0.00 O ATOM 0 H GLY A 100 1.396 -17.950 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.389 -18.233 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.893 -19.054 -4.631 1.00 0.00 H new ATOM 1560 N HIS A 101 2.414 -16.618 -5.552 1.00 0.00 N ATOM 1561 CA HIS A 101 3.064 -15.319 -5.235 1.00 0.00 C ATOM 1562 C HIS A 101 2.502 -14.246 -6.169 1.00 0.00 C ATOM 1563 O HIS A 101 2.555 -13.067 -5.887 1.00 0.00 O ATOM 1564 CB HIS A 101 4.574 -15.452 -5.457 1.00 0.00 C ATOM 1565 CG HIS A 101 5.238 -15.882 -4.178 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.383 -15.027 -3.096 1.00 0.00 N ATOM 1567 CD2 HIS A 101 5.805 -17.072 -3.794 1.00 0.00 C ATOM 1568 CE1 HIS A 101 6.015 -15.709 -2.123 1.00 0.00 C ATOM 1569 NE2 HIS A 101 6.295 -16.961 -2.496 1.00 0.00 N ATOM 0 H HIS A 101 2.919 -17.196 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 101 2.870 -15.042 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.773 -16.180 -6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.988 -14.500 -5.791 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.862 -17.960 -4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.265 -15.294 -1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.766 -17.680 -1.948 1.00 0.00 H new ATOM 1577 N GLU A 102 1.965 -14.657 -7.287 1.00 0.00 N ATOM 1578 CA GLU A 102 1.394 -13.680 -8.256 1.00 0.00 C ATOM 1579 C GLU A 102 -0.092 -13.457 -7.930 1.00 0.00 C ATOM 1580 O GLU A 102 -0.877 -13.061 -8.767 1.00 0.00 O ATOM 1581 CB GLU A 102 1.581 -14.240 -9.682 1.00 0.00 C ATOM 1582 CG GLU A 102 0.326 -14.987 -10.168 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.135 -15.990 -9.106 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.523 -17.004 -8.951 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -1.143 -15.729 -8.470 1.00 0.00 O ATOM 0 H GLU A 102 1.898 -15.634 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 102 1.903 -12.718 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.807 -13.423 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.436 -14.916 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.472 -14.275 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.542 -15.507 -11.101 1.00 0.00 H new ATOM 1592 N SER A 103 -0.478 -13.730 -6.716 1.00 0.00 N ATOM 1593 CA SER A 103 -1.909 -13.568 -6.322 1.00 0.00 C ATOM 1594 C SER A 103 -2.395 -12.130 -6.560 1.00 0.00 C ATOM 1595 O SER A 103 -2.753 -11.763 -7.662 1.00 0.00 O ATOM 1596 CB SER A 103 -2.065 -13.930 -4.844 1.00 0.00 C ATOM 1597 OG SER A 103 -0.903 -13.522 -4.135 1.00 0.00 O ATOM 0 H SER A 103 0.138 -14.061 -5.973 1.00 0.00 H new ATOM 0 HA SER A 103 -2.516 -14.232 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.948 -13.443 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.213 -15.004 -4.735 1.00 0.00 H new ATOM 0 HG SER A 103 -0.295 -14.284 -4.038 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.445 -11.325 -5.531 1.00 0.00 N ATOM 1604 CA GLU A 104 -2.947 -9.927 -5.690 1.00 0.00 C ATOM 1605 C GLU A 104 -2.049 -9.123 -6.633 1.00 0.00 C ATOM 1606 O GLU A 104 -2.446 -8.095 -7.141 1.00 0.00 O ATOM 1607 CB GLU A 104 -2.980 -9.245 -4.320 1.00 0.00 C ATOM 1608 CG GLU A 104 -1.550 -9.002 -3.834 1.00 0.00 C ATOM 1609 CD GLU A 104 -1.586 -8.296 -2.478 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -2.619 -7.735 -2.152 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -0.579 -8.326 -1.790 1.00 0.00 O ATOM 0 H GLU A 104 -2.159 -11.576 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.949 -9.966 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.518 -8.299 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.517 -9.868 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.017 -9.949 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.007 -8.395 -4.558 1.00 0.00 H new ATOM 1618 N THR A 105 -0.846 -9.563 -6.870 1.00 0.00 N ATOM 1619 CA THR A 105 0.056 -8.793 -7.776 1.00 0.00 C ATOM 1620 C THR A 105 -0.297 -9.077 -9.238 1.00 0.00 C ATOM 1621 O THR A 105 -0.664 -8.189 -9.986 1.00 0.00 O ATOM 1622 CB THR A 105 1.509 -9.202 -7.515 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.684 -9.459 -6.130 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.446 -8.074 -7.950 1.00 0.00 C ATOM 0 H THR A 105 -0.448 -10.417 -6.479 1.00 0.00 H new ATOM 0 HA THR A 105 -0.069 -7.728 -7.581 1.00 0.00 H new ATOM 0 HB THR A 105 1.741 -10.102 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.613 -9.723 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.479 -8.367 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.311 -7.878 -9.014 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.217 -7.172 -7.383 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.184 -10.302 -9.659 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.509 -10.629 -11.072 1.00 0.00 C ATOM 1634 C PHE A 106 -1.961 -10.229 -11.332 1.00 0.00 C ATOM 1635 O PHE A 106 -2.257 -9.447 -12.213 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.346 -12.131 -11.287 1.00 0.00 C ATOM 1637 CG PHE A 106 0.390 -12.392 -12.580 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.498 -11.606 -12.920 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.019 -13.428 -13.428 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.199 -11.857 -14.105 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.679 -13.676 -14.616 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.790 -12.891 -14.954 1.00 0.00 C ATOM 0 H PHE A 106 0.119 -11.091 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 106 0.155 -10.095 -11.752 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.202 -12.569 -10.453 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.324 -12.611 -11.313 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.812 -10.805 -12.267 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.873 -14.036 -13.166 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.056 -11.253 -14.364 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.361 -14.473 -15.272 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.330 -13.084 -15.869 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.869 -10.754 -10.553 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.302 -10.400 -10.731 1.00 0.00 C ATOM 1654 C ARG A 107 -4.464 -8.884 -10.609 1.00 0.00 C ATOM 1655 O ARG A 107 -5.321 -8.291 -11.233 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.137 -11.091 -9.650 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.429 -11.630 -10.266 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.625 -11.160 -9.435 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.775 -12.081 -9.652 1.00 0.00 N ATOM 1660 CZ ARG A 107 -9.612 -12.320 -8.680 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -9.180 -12.818 -7.554 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -10.882 -12.059 -8.833 1.00 0.00 N ATOM 0 H ARG A 107 -2.677 -11.414 -9.800 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.641 -10.727 -11.714 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.568 -11.906 -9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.369 -10.387 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.527 -11.281 -11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.402 -12.719 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.360 -11.136 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.901 -10.144 -9.718 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.908 -12.525 -10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.188 -13.021 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.835 -13.005 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.220 -11.668 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.536 -12.246 -8.073 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.642 -8.243 -9.813 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.759 -6.764 -9.675 1.00 0.00 C ATOM 1678 C ALA A 108 -3.753 -6.152 -11.072 1.00 0.00 C ATOM 1679 O ALA A 108 -4.648 -5.420 -11.447 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.578 -6.213 -8.872 1.00 0.00 C ATOM 0 H ALA A 108 -2.904 -8.678 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.682 -6.514 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.675 -5.131 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.571 -6.664 -7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.646 -6.451 -9.386 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.755 -6.463 -11.855 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.703 -5.917 -13.237 1.00 0.00 C ATOM 1688 C TYR A 109 -3.884 -6.484 -14.026 1.00 0.00 C ATOM 1689 O TYR A 109 -4.338 -5.907 -14.993 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.389 -6.333 -13.904 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.225 -5.842 -13.076 1.00 0.00 C ATOM 1692 CD1 TYR A 109 -0.326 -4.639 -12.367 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.957 -6.591 -13.019 1.00 0.00 C ATOM 1694 CE1 TYR A 109 0.754 -4.185 -11.600 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.037 -6.136 -12.251 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.935 -4.933 -11.543 1.00 0.00 C ATOM 1697 OH TYR A 109 3.000 -4.484 -10.788 1.00 0.00 O ATOM 0 H TYR A 109 -1.977 -7.070 -11.596 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.758 -4.829 -13.213 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.347 -7.418 -14.003 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -1.333 -5.919 -14.911 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.237 -4.061 -12.412 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.036 -7.519 -13.567 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.675 -3.257 -11.052 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.948 -6.714 -12.205 1.00 0.00 H new ATOM 0 HH TYR A 109 3.632 -5.219 -10.645 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.388 -7.614 -13.606 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.546 -8.233 -14.310 1.00 0.00 C ATOM 1709 C PHE A 110 -6.822 -7.982 -13.503 1.00 0.00 C ATOM 1710 O PHE A 110 -7.166 -8.739 -12.617 1.00 0.00 O ATOM 1711 CB PHE A 110 -5.323 -9.741 -14.437 1.00 0.00 C ATOM 1712 CG PHE A 110 -4.203 -10.007 -15.410 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.908 -9.557 -15.128 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -4.458 -10.706 -16.596 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.868 -9.806 -16.030 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -3.417 -10.956 -17.497 1.00 0.00 C ATOM 1717 CZ PHE A 110 -2.123 -10.506 -17.215 1.00 0.00 C ATOM 0 H PHE A 110 -4.044 -8.137 -12.801 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.643 -7.793 -15.303 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.081 -10.166 -13.463 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.237 -10.226 -14.778 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.711 -9.017 -14.213 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.457 -11.052 -16.815 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.869 -9.458 -15.812 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.613 -11.497 -18.411 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.321 -10.699 -17.912 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.524 -6.926 -13.800 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.777 -6.628 -13.049 1.00 0.00 C ATOM 1729 C LYS A 111 -9.929 -7.450 -13.630 1.00 0.00 C ATOM 1730 O LYS A 111 -10.623 -7.020 -14.530 1.00 0.00 O ATOM 1731 CB LYS A 111 -9.101 -5.138 -13.163 1.00 0.00 C ATOM 1732 CG LYS A 111 -7.838 -4.319 -12.887 1.00 0.00 C ATOM 1733 CD LYS A 111 -8.148 -2.830 -13.054 1.00 0.00 C ATOM 1734 CE LYS A 111 -8.577 -2.557 -14.497 1.00 0.00 C ATOM 1735 NZ LYS A 111 -7.537 -3.075 -15.429 1.00 0.00 N ATOM 0 H LYS A 111 -7.286 -6.255 -14.530 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.641 -6.888 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.483 -4.913 -14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.884 -4.870 -12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.478 -4.515 -11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.043 -4.615 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.939 -2.533 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.269 -2.235 -12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.534 -3.037 -14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.718 -1.487 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.639 -2.612 -16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.593 -2.873 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.652 -4.102 -15.541 1.00 0.00 H new ATOM 1749 N GLN A 112 -10.135 -8.633 -13.120 1.00 0.00 N ATOM 1750 CA GLN A 112 -11.236 -9.495 -13.634 1.00 0.00 C ATOM 1751 C GLN A 112 -11.064 -10.904 -13.065 1.00 0.00 C ATOM 1752 O GLN A 112 -11.774 -11.318 -12.170 1.00 0.00 O ATOM 1753 CB GLN A 112 -11.173 -9.552 -15.162 1.00 0.00 C ATOM 1754 CG GLN A 112 -12.532 -9.164 -15.748 1.00 0.00 C ATOM 1755 CD GLN A 112 -12.353 -7.999 -16.723 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -11.318 -7.364 -16.744 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -13.325 -7.688 -17.537 1.00 0.00 N ATOM 0 H GLN A 112 -9.584 -9.042 -12.365 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.199 -9.085 -13.330 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.401 -8.876 -15.529 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.899 -10.556 -15.487 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.976 -10.017 -16.261 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.217 -8.881 -14.949 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.195 -8.221 -17.520 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.215 -6.912 -18.190 1.00 0.00 H new ATOM 1766 N GLY A 113 -10.116 -11.638 -13.574 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.875 -13.015 -13.069 1.00 0.00 C ATOM 1768 C GLY A 113 -8.457 -13.433 -13.453 1.00 0.00 C ATOM 1769 O GLY A 113 -7.546 -12.635 -13.435 1.00 0.00 O ATOM 0 H GLY A 113 -9.493 -11.340 -14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.999 -13.048 -11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.602 -13.707 -13.495 1.00 0.00 H new ATOM 1773 N LEU A 114 -8.270 -14.672 -13.811 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.911 -15.148 -14.212 1.00 0.00 C ATOM 1775 C LEU A 114 -6.966 -16.659 -14.456 1.00 0.00 C ATOM 1776 O LEU A 114 -7.076 -17.441 -13.533 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.888 -14.866 -13.091 1.00 0.00 C ATOM 1778 CG LEU A 114 -5.154 -13.514 -13.272 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.697 -13.674 -12.836 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -5.169 -13.046 -14.729 1.00 0.00 C ATOM 0 H LEU A 114 -9.002 -15.382 -13.844 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.605 -14.622 -15.117 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.400 -14.870 -12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.154 -15.672 -13.064 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.672 -12.772 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.174 -12.726 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.661 -13.973 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.216 -14.437 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.644 -12.094 -14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.674 -13.789 -15.355 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.200 -12.921 -15.060 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.885 -17.077 -15.690 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.926 -18.537 -15.987 1.00 0.00 C ATOM 1794 C ILE A 115 -5.497 -19.080 -16.063 1.00 0.00 C ATOM 1795 O ILE A 115 -4.543 -18.338 -16.186 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.621 -18.773 -17.334 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -9.137 -18.656 -17.165 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.281 -20.175 -17.858 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.828 -19.211 -18.413 1.00 0.00 C ATOM 0 H ILE A 115 -6.792 -16.471 -16.505 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.477 -19.048 -15.197 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.274 -18.023 -18.045 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.460 -19.206 -16.281 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.418 -17.614 -17.012 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.778 -20.336 -18.815 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.203 -20.263 -17.990 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.621 -20.923 -17.142 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.909 -19.130 -18.297 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.513 -18.641 -19.287 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.555 -20.258 -18.545 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.354 -20.374 -16.016 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.000 -20.981 -16.114 1.00 0.00 C ATOM 1813 C TYR A 116 -4.101 -22.264 -16.942 1.00 0.00 C ATOM 1814 O TYR A 116 -4.723 -23.228 -16.541 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.470 -21.301 -14.715 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.948 -20.254 -13.738 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -3.544 -18.922 -13.889 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -4.789 -20.615 -12.680 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -3.984 -17.951 -12.982 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.228 -19.644 -11.772 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.826 -18.311 -11.924 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.259 -17.353 -11.029 1.00 0.00 O ATOM 0 H TYR A 116 -6.120 -21.039 -15.913 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.313 -20.284 -16.593 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.813 -22.287 -14.403 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.380 -21.331 -14.726 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.893 -18.644 -14.705 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -5.100 -21.643 -12.564 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.673 -16.923 -13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -5.876 -19.923 -10.955 1.00 0.00 H new ATOM 0 HH TYR A 116 -5.837 -17.771 -10.357 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.507 -22.276 -18.104 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.583 -23.487 -18.974 1.00 0.00 C ATOM 1834 C LYS A 117 -2.580 -24.538 -18.484 1.00 0.00 C ATOM 1835 O LYS A 117 -2.024 -24.421 -17.416 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.245 -23.085 -20.408 1.00 0.00 C ATOM 1837 CG LYS A 117 -4.533 -22.922 -21.220 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.551 -22.107 -20.419 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.735 -22.997 -20.041 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.393 -23.501 -21.279 1.00 0.00 N ATOM 0 H LYS A 117 -2.971 -21.499 -18.490 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.587 -23.909 -18.934 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.683 -22.151 -20.410 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.609 -23.842 -20.867 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.317 -22.424 -22.165 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.947 -23.901 -21.463 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.084 -21.705 -19.520 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.895 -21.257 -21.007 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.394 -23.834 -19.431 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.449 -22.434 -19.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.417 -23.585 -21.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.219 -22.837 -22.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.003 -24.433 -21.524 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.352 -25.575 -19.246 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.386 -26.626 -18.802 1.00 0.00 C ATOM 1856 C GLN A 118 0.018 -26.334 -19.340 1.00 0.00 C ATOM 1857 O GLN A 118 0.181 -25.788 -20.413 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.851 -27.995 -19.303 1.00 0.00 C ATOM 1859 CG GLN A 118 -1.184 -29.095 -18.475 1.00 0.00 C ATOM 1860 CD GLN A 118 -1.488 -28.873 -16.993 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -2.503 -28.301 -16.647 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -0.646 -29.306 -16.094 1.00 0.00 N ATOM 0 H GLN A 118 -2.790 -25.741 -20.152 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.349 -26.625 -17.713 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.935 -28.073 -19.225 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.598 -28.114 -20.356 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.548 -30.073 -18.789 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.107 -29.088 -18.641 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.206 -29.786 -16.383 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.840 -29.164 -15.103 1.00 0.00 H new ATOM 1871 N GLY A 119 1.031 -26.711 -18.603 1.00 0.00 N ATOM 1872 CA GLY A 119 2.431 -26.473 -19.064 1.00 0.00 C ATOM 1873 C GLY A 119 2.708 -27.322 -20.308 1.00 0.00 C ATOM 1874 O GLY A 119 1.822 -27.962 -20.838 1.00 0.00 O ATOM 0 H GLY A 119 0.948 -27.175 -17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.576 -25.417 -19.291 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.135 -26.728 -18.272 1.00 0.00 H new ATOM 1878 N GLY A 120 3.929 -27.339 -20.782 1.00 0.00 N ATOM 1879 CA GLY A 120 4.241 -28.155 -21.991 1.00 0.00 C ATOM 1880 C GLY A 120 3.378 -27.682 -23.163 1.00 0.00 C ATOM 1881 O GLY A 120 2.167 -27.762 -23.128 1.00 0.00 O ATOM 0 H GLY A 120 4.717 -26.826 -20.386 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.297 -28.062 -22.243 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.053 -29.210 -21.789 1.00 0.00 H new ATOM 1885 N VAL A 121 3.992 -27.190 -24.202 1.00 0.00 N ATOM 1886 CA VAL A 121 3.212 -26.714 -25.374 1.00 0.00 C ATOM 1887 C VAL A 121 3.037 -27.870 -26.360 1.00 0.00 C ATOM 1888 O VAL A 121 2.828 -29.002 -25.973 1.00 0.00 O ATOM 1889 CB VAL A 121 3.958 -25.554 -26.041 1.00 0.00 C ATOM 1890 CG1 VAL A 121 2.955 -24.640 -26.744 1.00 0.00 C ATOM 1891 CG2 VAL A 121 4.704 -24.747 -24.980 1.00 0.00 C ATOM 0 H VAL A 121 5.004 -27.097 -24.289 1.00 0.00 H new ATOM 0 HA VAL A 121 2.230 -26.365 -25.055 1.00 0.00 H new ATOM 0 HB VAL A 121 4.667 -25.954 -26.766 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.486 -23.815 -27.219 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.415 -25.207 -27.502 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.249 -24.245 -26.014 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.234 -23.922 -25.456 1.00 0.00 H new ATOM 0 HG22 VAL A 121 3.991 -24.351 -24.257 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.419 -25.391 -24.469 1.00 0.00 H new ATOM 1901 N ALA A 122 3.122 -27.597 -27.629 1.00 0.00 N ATOM 1902 CA ALA A 122 2.962 -28.681 -28.639 1.00 0.00 C ATOM 1903 C ALA A 122 4.301 -29.394 -28.835 1.00 0.00 C ATOM 1904 O ALA A 122 4.483 -30.519 -28.413 1.00 0.00 O ATOM 1905 CB ALA A 122 2.507 -28.077 -29.969 1.00 0.00 C ATOM 0 H ALA A 122 3.296 -26.668 -28.014 1.00 0.00 H new ATOM 0 HA ALA A 122 2.216 -29.395 -28.291 1.00 0.00 H new ATOM 0 HB1 ALA A 122 2.390 -28.870 -30.708 1.00 0.00 H new ATOM 0 HB2 ALA A 122 1.554 -27.567 -29.830 1.00 0.00 H new ATOM 0 HB3 ALA A 122 3.253 -27.363 -30.318 1.00 0.00 H new ATOM 1911 N SER A 123 5.239 -28.748 -29.470 1.00 0.00 N ATOM 1912 CA SER A 123 6.566 -29.389 -29.692 1.00 0.00 C ATOM 1913 C SER A 123 6.450 -30.424 -30.813 1.00 0.00 C ATOM 1914 O SER A 123 7.320 -31.252 -30.998 1.00 0.00 O ATOM 1915 CB SER A 123 7.021 -30.080 -28.406 1.00 0.00 C ATOM 1916 OG SER A 123 6.557 -29.339 -27.285 1.00 0.00 O ATOM 0 H SER A 123 5.144 -27.804 -29.845 1.00 0.00 H new ATOM 0 HA SER A 123 7.295 -28.628 -29.972 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.633 -31.098 -28.370 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.108 -30.153 -28.384 1.00 0.00 H new ATOM 0 HG SER A 123 6.846 -29.780 -26.459 1.00 0.00 H new ATOM 1922 N GLY A 124 5.383 -30.386 -31.563 1.00 0.00 N ATOM 1923 CA GLY A 124 5.216 -31.371 -32.669 1.00 0.00 C ATOM 1924 C GLY A 124 5.370 -32.788 -32.117 1.00 0.00 C ATOM 1925 O GLY A 124 6.180 -33.563 -32.587 1.00 0.00 O ATOM 0 H GLY A 124 4.621 -29.717 -31.458 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.235 -31.253 -33.130 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.958 -31.190 -33.447 1.00 0.00 H new ATOM 1929 N MET A 125 4.600 -33.134 -31.121 1.00 0.00 N ATOM 1930 CA MET A 125 4.705 -34.501 -30.538 1.00 0.00 C ATOM 1931 C MET A 125 3.301 -35.070 -30.319 1.00 0.00 C ATOM 1932 O MET A 125 2.883 -35.993 -30.988 1.00 0.00 O ATOM 1933 CB MET A 125 5.440 -34.429 -29.199 1.00 0.00 C ATOM 1934 CG MET A 125 6.920 -34.128 -29.443 1.00 0.00 C ATOM 1935 SD MET A 125 7.933 -35.404 -28.655 1.00 0.00 S ATOM 1936 CE MET A 125 7.171 -35.318 -27.016 1.00 0.00 C ATOM 0 H MET A 125 3.903 -32.529 -30.686 1.00 0.00 H new ATOM 0 HA MET A 125 5.257 -35.147 -31.221 1.00 0.00 H new ATOM 0 HB2 MET A 125 4.999 -33.654 -28.572 1.00 0.00 H new ATOM 0 HB3 MET A 125 5.334 -35.372 -28.663 1.00 0.00 H new ATOM 0 HG2 MET A 125 7.124 -34.096 -30.513 1.00 0.00 H new ATOM 0 HG3 MET A 125 7.174 -33.147 -29.041 1.00 0.00 H new ATOM 0 HE1 MET A 125 7.898 -35.615 -26.261 1.00 0.00 H new ATOM 0 HE2 MET A 125 6.842 -34.297 -26.821 1.00 0.00 H new ATOM 0 HE3 MET A 125 6.313 -35.990 -26.978 1.00 0.00 H new ATOM 1946 N LYS A 126 2.570 -34.525 -29.385 1.00 0.00 N ATOM 1947 CA LYS A 126 1.195 -35.034 -29.123 1.00 0.00 C ATOM 1948 C LYS A 126 0.174 -33.953 -29.483 1.00 0.00 C ATOM 1949 O LYS A 126 -0.988 -34.292 -29.634 1.00 0.00 O ATOM 1950 CB LYS A 126 1.058 -35.391 -27.641 1.00 0.00 C ATOM 1951 CG LYS A 126 0.308 -36.717 -27.503 1.00 0.00 C ATOM 1952 CD LYS A 126 -0.225 -36.854 -26.076 1.00 0.00 C ATOM 1953 CE LYS A 126 -1.188 -38.039 -26.002 1.00 0.00 C ATOM 1954 NZ LYS A 126 -2.026 -38.076 -27.233 1.00 0.00 N ATOM 1955 OXT LYS A 126 0.572 -32.806 -29.602 1.00 0.00 O ATOM 0 H LYS A 126 2.866 -33.749 -28.792 1.00 0.00 H new ATOM 0 HA LYS A 126 1.014 -35.921 -29.729 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.044 -35.469 -27.182 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.523 -34.601 -27.114 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.516 -36.757 -28.216 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.972 -37.549 -27.736 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.601 -37.000 -25.380 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.735 -35.938 -25.778 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.629 -38.970 -25.902 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.822 -37.951 -25.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.890 -38.625 -27.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.284 -37.106 -27.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.490 -38.523 -28.004 1.00 0.00 H new TER 1969 LYS A 126