USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 789 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 24 THR OG1 : rot -133:sc= 0.0123 USER MOD Set 1.2: A 59 HIS : no HE2:sc= -0.146 K(o=-0.13,f=-8.7!) USER MOD Set 2.1: A 4 MET CE :methyl 176:sc= -8.81! (180deg=-6.75!) USER MOD Set 2.2: A 27 MET CE :methyl -117:sc= -8.32! (180deg=-0.11) USER MOD Set 2.3: A 34 HIS : no HD1:sc= -10.3! C(o=-27!,f=-29!) USER MOD Single : A 3 GLN : amide:sc= -2.96 K(o=-3,f=-6.2!) USER MOD Single : A 8 SER OG : rot 142:sc= 0.764 USER MOD Single : A 10 ASN : amide:sc= -5.08! K(o=-5.1!,f=-4.3) USER MOD Single : A 12 THR OG1 : rot 9:sc= 0.931 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -6:sc= 1.02 USER MOD Single : A 18 TYR OH : rot 110:sc= 0.702 USER MOD Single : A 19 SER OG : rot 95:sc= 0.645 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -0.0126 (180deg=-0.314) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.29) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.666 USER MOD Single : A 39 GLN : amide:sc= -4.64! C(o=-4.6!,f=-2.5!) USER MOD Single : A 40 TYR OH : rot 165:sc= -0.15 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -81:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 57 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.53) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -156:sc= -1.9 (180deg=-4.55!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.0755 USER MOD Single : A 72 TYR OH : rot -130:sc= -3.46! USER MOD Single : A 80 THR OG1 : rot 126:sc= 1.31 USER MOD Single : A 81 SER OG : rot -47:sc= 1.11 USER MOD Single : A 83 THR OG1 : rot -14:sc= 0.832 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.377 USER MOD Single : A 86 ASN : amide:sc= -9.34! K(o=-9.3!,f=-2.8) USER MOD Single : A 90 SER OG : rot -80:sc= -0.426 USER MOD Single : A 93 SER OG : rot 140:sc= -0.277 USER MOD Single : A 97 SER OG : rot 178:sc= 0 USER MOD Single : A 100 THR OG1 : rot -152:sc= 1.12 USER MOD Single : A 102 SER OG : rot 39:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 3 11.512 7.307 -11.785 1.00 0.00 N ATOM 40 CA GLN A 3 12.102 8.637 -11.884 1.00 0.00 C ATOM 41 C GLN A 3 11.029 9.702 -12.090 1.00 0.00 C ATOM 42 O GLN A 3 9.986 9.444 -12.692 1.00 0.00 O ATOM 43 CB GLN A 3 13.124 8.689 -13.022 1.00 0.00 C ATOM 44 CG GLN A 3 12.507 8.686 -14.412 1.00 0.00 C ATOM 45 CD GLN A 3 13.309 9.503 -15.404 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.481 9.221 -15.653 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.682 10.525 -15.975 1.00 0.00 N ATOM 0 HA GLN A 3 12.612 8.846 -10.944 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.733 9.586 -12.908 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.795 7.835 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.430 7.659 -14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.493 9.081 -14.357 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.710 10.723 -15.739 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.173 11.112 -16.649 1.00 0.00 H new ATOM 56 N MET A 4 11.300 10.900 -11.589 1.00 0.00 N ATOM 57 CA MET A 4 10.375 12.022 -11.706 1.00 0.00 C ATOM 58 C MET A 4 8.937 11.608 -11.430 1.00 0.00 C ATOM 59 O MET A 4 8.244 11.092 -12.306 1.00 0.00 O ATOM 60 CB MET A 4 10.451 12.650 -13.094 1.00 0.00 C ATOM 61 CG MET A 4 9.980 14.097 -13.132 1.00 0.00 C ATOM 62 SD MET A 4 8.206 14.259 -12.827 1.00 0.00 S ATOM 63 CE MET A 4 7.964 16.023 -13.030 1.00 0.00 C ATOM 0 H MET A 4 12.163 11.122 -11.092 1.00 0.00 H new ATOM 0 HA MET A 4 10.678 12.751 -10.955 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.480 12.602 -13.450 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.847 12.061 -13.784 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.527 14.673 -12.386 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.218 14.527 -14.105 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.903 16.257 -12.941 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.520 16.558 -12.260 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.321 16.328 -14.013 1.00 0.00 H new ATOM 73 N ALA A 5 8.486 11.883 -10.220 1.00 0.00 N ATOM 74 CA ALA A 5 7.127 11.591 -9.824 1.00 0.00 C ATOM 75 C ALA A 5 6.178 12.438 -10.662 1.00 0.00 C ATOM 76 O ALA A 5 6.211 13.667 -10.596 1.00 0.00 O ATOM 77 CB ALA A 5 6.928 11.867 -8.342 1.00 0.00 C ATOM 0 H ALA A 5 9.052 12.314 -9.489 1.00 0.00 H new ATOM 0 HA ALA A 5 6.917 10.535 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.898 11.641 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.606 11.242 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.137 12.917 -8.136 1.00 0.00 H new ATOM 83 N PRO A 6 5.342 11.799 -11.485 1.00 0.00 N ATOM 84 CA PRO A 6 4.407 12.496 -12.362 1.00 0.00 C ATOM 85 C PRO A 6 3.775 13.710 -11.692 1.00 0.00 C ATOM 86 O PRO A 6 3.717 13.797 -10.466 1.00 0.00 O ATOM 87 CB PRO A 6 3.390 11.410 -12.680 1.00 0.00 C ATOM 88 CG PRO A 6 4.225 10.175 -12.735 1.00 0.00 C ATOM 89 CD PRO A 6 5.252 10.342 -11.643 1.00 0.00 C ATOM 0 HA PRO A 6 4.879 12.917 -13.250 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.619 11.342 -11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.883 11.597 -13.626 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.620 9.283 -12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.701 10.065 -13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.940 9.856 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.212 9.908 -11.923 1.00 0.00 H new ATOM 97 N PRO A 7 3.315 14.677 -12.498 1.00 0.00 N ATOM 98 CA PRO A 7 2.712 15.908 -11.987 1.00 0.00 C ATOM 99 C PRO A 7 1.334 15.686 -11.386 1.00 0.00 C ATOM 100 O PRO A 7 0.895 14.552 -11.199 1.00 0.00 O ATOM 101 CB PRO A 7 2.623 16.789 -13.232 1.00 0.00 C ATOM 102 CG PRO A 7 2.509 15.828 -14.360 1.00 0.00 C ATOM 103 CD PRO A 7 3.364 14.655 -13.973 1.00 0.00 C ATOM 0 HA PRO A 7 3.296 16.342 -11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.760 17.453 -13.187 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.506 17.420 -13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.473 15.525 -14.515 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.853 16.274 -15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.973 13.721 -14.375 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.384 14.760 -14.344 1.00 0.00 H new ATOM 111 N SER A 8 0.659 16.786 -11.083 1.00 0.00 N ATOM 112 CA SER A 8 -0.674 16.733 -10.495 1.00 0.00 C ATOM 113 C SER A 8 -1.737 17.090 -11.526 1.00 0.00 C ATOM 114 O SER A 8 -2.017 18.265 -11.760 1.00 0.00 O ATOM 115 CB SER A 8 -0.770 17.683 -9.301 1.00 0.00 C ATOM 116 OG SER A 8 0.467 17.769 -8.614 1.00 0.00 O ATOM 0 H SER A 8 1.014 17.730 -11.235 1.00 0.00 H new ATOM 0 HA SER A 8 -0.850 15.713 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.068 18.674 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.545 17.336 -8.618 1.00 0.00 H new ATOM 0 HG SER A 8 0.617 18.693 -8.324 1.00 0.00 H new ATOM 122 N LEU A 9 -2.322 16.071 -12.142 1.00 0.00 N ATOM 123 CA LEU A 9 -3.350 16.284 -13.150 1.00 0.00 C ATOM 124 C LEU A 9 -4.705 16.551 -12.506 1.00 0.00 C ATOM 125 O LEU A 9 -5.054 15.953 -11.489 1.00 0.00 O ATOM 126 CB LEU A 9 -3.441 15.079 -14.086 1.00 0.00 C ATOM 127 CG LEU A 9 -3.123 15.382 -15.550 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.495 14.202 -16.434 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.844 16.638 -16.006 1.00 0.00 C ATOM 0 H LEU A 9 -2.102 15.091 -11.961 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.070 17.162 -13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.756 14.308 -13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.447 14.664 -14.025 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.050 15.552 -15.638 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.261 14.437 -17.472 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.929 13.323 -16.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.562 13.999 -16.340 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.604 16.836 -17.051 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.920 16.498 -15.901 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.526 17.482 -15.394 1.00 0.00 H new ATOM 141 N ASN A 10 -5.463 17.457 -13.111 1.00 0.00 N ATOM 142 CA ASN A 10 -6.788 17.816 -12.607 1.00 0.00 C ATOM 143 C ASN A 10 -7.669 18.336 -13.738 1.00 0.00 C ATOM 144 O ASN A 10 -7.271 19.224 -14.492 1.00 0.00 O ATOM 145 CB ASN A 10 -6.697 18.873 -11.489 1.00 0.00 C ATOM 146 CG ASN A 10 -5.332 19.533 -11.386 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.365 18.917 -10.938 1.00 0.00 O ATOM 148 ND2 ASN A 10 -5.250 20.789 -11.803 1.00 0.00 N ATOM 0 H ASN A 10 -5.184 17.959 -13.954 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.235 16.914 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.450 19.641 -11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.937 18.403 -10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.359 21.284 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.078 21.261 -12.167 1.00 0.00 H new ATOM 155 N VAL A 11 -8.866 17.772 -13.855 1.00 0.00 N ATOM 156 CA VAL A 11 -9.802 18.173 -14.899 1.00 0.00 C ATOM 157 C VAL A 11 -10.591 19.413 -14.496 1.00 0.00 C ATOM 158 O VAL A 11 -11.255 19.432 -13.459 1.00 0.00 O ATOM 159 CB VAL A 11 -10.787 17.037 -15.232 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.736 17.458 -16.343 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.032 15.774 -15.616 1.00 0.00 C ATOM 0 H VAL A 11 -9.211 17.035 -13.240 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.206 18.403 -15.782 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.380 16.824 -14.343 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.424 16.641 -16.563 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.302 18.334 -16.025 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.163 17.701 -17.238 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.743 14.981 -15.848 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.412 15.972 -16.490 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.399 15.462 -14.785 1.00 0.00 H new ATOM 171 N THR A 12 -10.519 20.446 -15.329 1.00 0.00 N ATOM 172 CA THR A 12 -11.231 21.690 -15.070 1.00 0.00 C ATOM 173 C THR A 12 -12.050 22.100 -16.279 1.00 0.00 C ATOM 174 O THR A 12 -11.521 22.304 -17.372 1.00 0.00 O ATOM 175 CB THR A 12 -10.254 22.806 -14.696 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.584 23.295 -15.844 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.199 22.371 -13.701 1.00 0.00 C ATOM 0 H THR A 12 -9.973 20.445 -16.191 1.00 0.00 H new ATOM 0 HA THR A 12 -11.906 21.522 -14.231 1.00 0.00 H new ATOM 0 HB THR A 12 -10.867 23.581 -14.237 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.987 22.907 -16.648 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.540 23.210 -13.480 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.681 22.036 -12.783 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.616 21.553 -14.124 1.00 0.00 H new ATOM 185 N LYS A 13 -13.349 22.212 -16.064 1.00 0.00 N ATOM 186 CA LYS A 13 -14.272 22.592 -17.125 1.00 0.00 C ATOM 187 C LYS A 13 -14.918 23.948 -16.827 1.00 0.00 C ATOM 188 O LYS A 13 -15.051 24.342 -15.669 1.00 0.00 O ATOM 189 CB LYS A 13 -15.333 21.492 -17.324 1.00 0.00 C ATOM 190 CG LYS A 13 -16.655 21.734 -16.606 1.00 0.00 C ATOM 191 CD LYS A 13 -17.607 22.552 -17.463 1.00 0.00 C ATOM 192 CE LYS A 13 -19.047 22.097 -17.292 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.873 23.125 -16.604 1.00 0.00 N ATOM 0 H LYS A 13 -13.792 22.045 -15.161 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.713 22.696 -18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.530 21.387 -18.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.919 20.543 -16.982 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.116 20.778 -16.357 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.471 22.254 -15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.524 23.605 -17.196 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.320 22.465 -18.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.478 21.879 -18.269 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.070 21.170 -16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.848 22.778 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.477 23.315 -15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.872 24.002 -17.163 1.00 0.00 H new ATOM 207 N ASP A 14 -15.319 24.650 -17.880 1.00 0.00 N ATOM 208 CA ASP A 14 -15.952 25.956 -17.733 1.00 0.00 C ATOM 209 C ASP A 14 -16.737 26.328 -18.987 1.00 0.00 C ATOM 210 O ASP A 14 -16.346 27.228 -19.730 1.00 0.00 O ATOM 211 CB ASP A 14 -14.900 27.028 -17.439 1.00 0.00 C ATOM 212 CG ASP A 14 -13.658 26.869 -18.294 1.00 0.00 C ATOM 213 OD1 ASP A 14 -13.663 27.359 -19.443 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.682 26.257 -17.815 1.00 0.00 O ATOM 0 H ASP A 14 -15.217 24.337 -18.845 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.647 25.900 -16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.332 28.014 -17.611 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.622 26.981 -16.386 1.00 0.00 H new ATOM 219 N GLY A 15 -17.843 25.631 -19.219 1.00 0.00 N ATOM 220 CA GLY A 15 -18.660 25.903 -20.386 1.00 0.00 C ATOM 221 C GLY A 15 -18.529 24.829 -21.448 1.00 0.00 C ATOM 222 O GLY A 15 -18.205 25.120 -22.598 1.00 0.00 O ATOM 0 H GLY A 15 -18.189 24.882 -18.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.704 25.985 -20.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.374 26.866 -20.810 1.00 0.00 H new ATOM 226 N ASP A 16 -18.778 23.584 -21.059 1.00 0.00 N ATOM 227 CA ASP A 16 -18.685 22.458 -21.982 1.00 0.00 C ATOM 228 C ASP A 16 -17.287 22.355 -22.590 1.00 0.00 C ATOM 229 O ASP A 16 -17.098 21.720 -23.627 1.00 0.00 O ATOM 230 CB ASP A 16 -19.728 22.594 -23.093 1.00 0.00 C ATOM 231 CG ASP A 16 -21.082 22.047 -22.682 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.731 22.664 -21.812 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.492 21.004 -23.232 1.00 0.00 O ATOM 0 H ASP A 16 -19.046 23.328 -20.109 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.880 21.546 -21.417 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.831 23.644 -23.365 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.380 22.067 -23.981 1.00 0.00 H new ATOM 238 N SER A 17 -16.309 22.975 -21.933 1.00 0.00 N ATOM 239 CA SER A 17 -14.929 22.945 -22.405 1.00 0.00 C ATOM 240 C SER A 17 -14.004 22.437 -21.304 1.00 0.00 C ATOM 241 O SER A 17 -13.650 23.177 -20.386 1.00 0.00 O ATOM 242 CB SER A 17 -14.490 24.336 -22.863 1.00 0.00 C ATOM 243 OG SER A 17 -14.165 25.160 -21.756 1.00 0.00 O ATOM 0 H SER A 17 -16.448 23.504 -21.072 1.00 0.00 H new ATOM 0 HA SER A 17 -14.869 22.265 -23.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.626 24.249 -23.522 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.288 24.800 -23.443 1.00 0.00 H new ATOM 0 HG SER A 17 -14.381 24.690 -20.924 1.00 0.00 H new ATOM 249 N TYR A 18 -13.629 21.166 -21.397 1.00 0.00 N ATOM 250 CA TYR A 18 -12.759 20.551 -20.404 1.00 0.00 C ATOM 251 C TYR A 18 -11.286 20.772 -20.733 1.00 0.00 C ATOM 252 O TYR A 18 -10.877 20.704 -21.892 1.00 0.00 O ATOM 253 CB TYR A 18 -13.052 19.053 -20.306 1.00 0.00 C ATOM 254 CG TYR A 18 -14.385 18.743 -19.665 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.538 18.635 -20.433 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.492 18.565 -18.291 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.760 18.356 -19.850 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.710 18.288 -17.701 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.840 18.184 -18.485 1.00 0.00 C ATOM 260 OH TYR A 18 -18.056 17.908 -17.900 1.00 0.00 O ATOM 0 H TYR A 18 -13.915 20.542 -22.151 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.963 21.026 -19.444 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -13.028 18.620 -21.306 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.260 18.572 -19.731 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.478 18.771 -21.503 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.609 18.644 -17.675 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.647 18.273 -20.461 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.777 18.154 -16.631 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.064 16.981 -17.583 1.00 0.00 H new ATOM 270 N SER A 19 -10.495 21.028 -19.696 1.00 0.00 N ATOM 271 CA SER A 19 -9.064 21.253 -19.852 1.00 0.00 C ATOM 272 C SER A 19 -8.310 20.689 -18.651 1.00 0.00 C ATOM 273 O SER A 19 -8.779 20.779 -17.517 1.00 0.00 O ATOM 274 CB SER A 19 -8.772 22.749 -20.011 1.00 0.00 C ATOM 275 OG SER A 19 -7.518 23.096 -19.447 1.00 0.00 O ATOM 0 H SER A 19 -10.825 21.085 -18.732 1.00 0.00 H new ATOM 0 HA SER A 19 -8.725 20.738 -20.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.782 23.012 -21.069 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.561 23.328 -19.531 1.00 0.00 H new ATOM 0 HG SER A 19 -6.830 23.080 -20.145 1.00 0.00 H new ATOM 281 N LEU A 20 -7.149 20.093 -18.905 1.00 0.00 N ATOM 282 CA LEU A 20 -6.352 19.503 -17.836 1.00 0.00 C ATOM 283 C LEU A 20 -5.364 20.510 -17.256 1.00 0.00 C ATOM 284 O LEU A 20 -4.854 21.378 -17.964 1.00 0.00 O ATOM 285 CB LEU A 20 -5.591 18.267 -18.333 1.00 0.00 C ATOM 286 CG LEU A 20 -6.066 17.673 -19.662 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.375 16.343 -19.926 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.574 17.487 -19.658 1.00 0.00 C ATOM 0 H LEU A 20 -6.741 20.006 -19.836 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.045 19.202 -17.050 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.538 18.529 -18.431 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.657 17.493 -17.568 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.805 18.369 -20.459 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.723 15.934 -20.874 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.297 16.496 -19.971 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.609 15.645 -19.122 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.891 17.064 -20.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.855 16.812 -18.850 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.059 18.452 -19.510 1.00 0.00 H new ATOM 300 N ARG A 21 -5.091 20.373 -15.962 1.00 0.00 N ATOM 301 CA ARG A 21 -4.156 21.253 -15.273 1.00 0.00 C ATOM 302 C ARG A 21 -3.124 20.431 -14.511 1.00 0.00 C ATOM 303 O ARG A 21 -3.178 20.317 -13.287 1.00 0.00 O ATOM 304 CB ARG A 21 -4.901 22.176 -14.314 1.00 0.00 C ATOM 305 CG ARG A 21 -5.089 23.586 -14.848 1.00 0.00 C ATOM 306 CD ARG A 21 -5.916 24.438 -13.898 1.00 0.00 C ATOM 307 NE ARG A 21 -5.484 24.291 -12.510 1.00 0.00 N ATOM 308 CZ ARG A 21 -4.393 24.865 -12.013 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.624 25.619 -12.786 1.00 0.00 N ATOM 310 NH2 ARG A 21 -4.070 24.685 -10.740 1.00 0.00 N ATOM 0 H ARG A 21 -5.507 19.656 -15.368 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.643 21.863 -16.016 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.879 21.746 -14.095 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.356 22.223 -13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.115 24.051 -15.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.579 23.545 -15.821 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.840 25.485 -14.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.966 24.158 -13.982 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.051 23.716 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.869 25.760 -13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.788 26.058 -12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.659 24.106 -10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.233 25.126 -10.359 1.00 0.00 H new ATOM 324 N TRP A 22 -2.195 19.853 -15.255 1.00 0.00 N ATOM 325 CA TRP A 22 -1.143 19.020 -14.679 1.00 0.00 C ATOM 326 C TRP A 22 -0.020 19.868 -14.089 1.00 0.00 C ATOM 327 O TRP A 22 0.455 20.812 -14.717 1.00 0.00 O ATOM 328 CB TRP A 22 -0.568 18.094 -15.752 1.00 0.00 C ATOM 329 CG TRP A 22 -0.249 18.817 -17.022 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.809 19.646 -17.244 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.003 18.794 -18.237 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.762 20.139 -18.525 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.342 19.630 -19.154 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.170 18.145 -18.639 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.814 19.835 -20.446 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.637 18.349 -19.921 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.963 19.187 -20.811 1.00 0.00 C ATOM 0 H TRP A 22 -2.146 19.945 -16.270 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.586 18.431 -13.876 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.336 17.619 -15.371 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.282 17.298 -15.961 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.573 19.881 -16.518 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.439 20.780 -18.940 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.699 17.494 -17.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.293 20.482 -21.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.540 17.851 -20.242 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.356 19.327 -21.807 1.00 0.00 H new ATOM 348 N GLU A 23 0.410 19.509 -12.884 1.00 0.00 N ATOM 349 CA GLU A 23 1.492 20.221 -12.210 1.00 0.00 C ATOM 350 C GLU A 23 2.843 19.758 -12.755 1.00 0.00 C ATOM 351 O GLU A 23 2.933 19.346 -13.912 1.00 0.00 O ATOM 352 CB GLU A 23 1.412 19.990 -10.699 1.00 0.00 C ATOM 353 CG GLU A 23 1.795 21.208 -9.874 1.00 0.00 C ATOM 354 CD GLU A 23 0.777 21.521 -8.795 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.351 20.582 -8.090 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.406 22.705 -8.654 1.00 0.00 O ATOM 0 H GLU A 23 0.026 18.728 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 23 1.389 21.289 -12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.397 19.691 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.067 19.161 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.768 21.039 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.899 22.071 -10.532 1.00 0.00 H new ATOM 363 N THR A 24 3.895 19.832 -11.937 1.00 0.00 N ATOM 364 CA THR A 24 5.223 19.405 -12.379 1.00 0.00 C ATOM 365 C THR A 24 6.175 19.135 -11.215 1.00 0.00 C ATOM 366 O THR A 24 7.025 18.248 -11.292 1.00 0.00 O ATOM 367 CB THR A 24 5.830 20.451 -13.307 1.00 0.00 C ATOM 368 OG1 THR A 24 5.133 21.680 -13.203 1.00 0.00 O ATOM 369 CG2 THR A 24 5.802 20.026 -14.756 1.00 0.00 C ATOM 0 H THR A 24 3.855 20.178 -10.978 1.00 0.00 H new ATOM 0 HA THR A 24 5.089 18.464 -12.913 1.00 0.00 H new ATOM 0 HB THR A 24 6.867 20.565 -12.991 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.944 22.026 -14.100 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.246 20.807 -15.373 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.369 19.103 -14.875 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.770 19.861 -15.067 1.00 0.00 H new ATOM 377 N MET A 25 6.052 19.922 -10.152 1.00 0.00 N ATOM 378 CA MET A 25 6.924 19.792 -8.986 1.00 0.00 C ATOM 379 C MET A 25 8.300 20.409 -9.266 1.00 0.00 C ATOM 380 O MET A 25 9.216 20.295 -8.451 1.00 0.00 O ATOM 381 CB MET A 25 7.087 18.321 -8.587 1.00 0.00 C ATOM 382 CG MET A 25 5.790 17.531 -8.641 1.00 0.00 C ATOM 383 SD MET A 25 5.442 16.661 -7.102 1.00 0.00 S ATOM 384 CE MET A 25 4.935 18.022 -6.054 1.00 0.00 C ATOM 0 H MET A 25 5.354 20.661 -10.072 1.00 0.00 H new ATOM 0 HA MET A 25 6.457 20.329 -8.160 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.816 17.852 -9.248 1.00 0.00 H new ATOM 0 HB3 MET A 25 7.493 18.270 -7.577 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.966 18.208 -8.865 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.842 16.811 -9.457 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.686 17.644 -5.062 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.749 18.742 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.061 18.509 -6.487 1.00 0.00 H new ATOM 394 N LYS A 26 8.438 21.063 -10.426 1.00 0.00 N ATOM 395 CA LYS A 26 9.696 21.699 -10.825 1.00 0.00 C ATOM 396 C LYS A 26 10.905 20.826 -10.492 1.00 0.00 C ATOM 397 O LYS A 26 12.003 21.336 -10.268 1.00 0.00 O ATOM 398 CB LYS A 26 9.862 23.083 -10.174 1.00 0.00 C ATOM 399 CG LYS A 26 8.711 23.515 -9.271 1.00 0.00 C ATOM 400 CD LYS A 26 7.466 23.844 -10.077 1.00 0.00 C ATOM 401 CE LYS A 26 6.218 23.256 -9.438 1.00 0.00 C ATOM 402 NZ LYS A 26 6.091 23.643 -8.006 1.00 0.00 N ATOM 0 H LYS A 26 7.687 21.165 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 26 9.648 21.824 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.782 23.085 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.984 23.826 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.486 22.720 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.011 24.387 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.359 24.926 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.574 23.457 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.337 23.593 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.247 22.169 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.095 23.574 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.668 23.005 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.421 24.621 -7.880 1.00 0.00 H new ATOM 416 N MET A 27 10.695 19.509 -10.465 1.00 0.00 N ATOM 417 CA MET A 27 11.763 18.547 -10.165 1.00 0.00 C ATOM 418 C MET A 27 12.711 19.064 -9.087 1.00 0.00 C ATOM 419 O MET A 27 13.893 18.721 -9.082 1.00 0.00 O ATOM 420 CB MET A 27 12.575 18.201 -11.424 1.00 0.00 C ATOM 421 CG MET A 27 11.943 18.665 -12.727 1.00 0.00 C ATOM 422 SD MET A 27 10.594 17.592 -13.250 1.00 0.00 S ATOM 423 CE MET A 27 9.284 18.788 -13.507 1.00 0.00 C ATOM 0 H MET A 27 9.788 19.079 -10.649 1.00 0.00 H new ATOM 0 HA MET A 27 11.270 17.648 -9.795 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.566 18.647 -11.336 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.714 17.121 -11.466 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.570 19.682 -12.606 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.704 18.696 -13.507 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.468 18.589 -12.812 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.670 19.793 -13.336 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.916 18.710 -14.530 1.00 0.00 H new ATOM 433 N ARG A 28 12.201 19.889 -8.175 1.00 0.00 N ATOM 434 CA ARG A 28 13.036 20.430 -7.111 1.00 0.00 C ATOM 435 C ARG A 28 14.307 21.034 -7.694 1.00 0.00 C ATOM 436 O ARG A 28 15.352 21.062 -7.043 1.00 0.00 O ATOM 437 CB ARG A 28 13.410 19.311 -6.151 1.00 0.00 C ATOM 438 CG ARG A 28 12.222 18.473 -5.706 1.00 0.00 C ATOM 439 CD ARG A 28 11.211 19.306 -4.939 1.00 0.00 C ATOM 440 NE ARG A 28 11.232 19.014 -3.509 1.00 0.00 N ATOM 441 CZ ARG A 28 10.623 17.966 -2.962 1.00 0.00 C ATOM 442 NH1 ARG A 28 9.956 17.113 -3.726 1.00 0.00 N ATOM 443 NH2 ARG A 28 10.682 17.770 -1.653 1.00 0.00 N ATOM 0 H ARG A 28 11.228 20.193 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 28 12.482 21.207 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.144 18.662 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.890 19.742 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.742 18.028 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.569 17.652 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.420 20.364 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.212 19.117 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 28 11.742 19.649 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.910 17.260 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.489 16.309 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.195 18.424 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.214 16.965 -1.236 1.00 0.00 H new ATOM 457 N TYR A 29 14.215 21.477 -8.937 1.00 0.00 N ATOM 458 CA TYR A 29 15.360 22.037 -9.633 1.00 0.00 C ATOM 459 C TYR A 29 15.126 23.498 -10.021 1.00 0.00 C ATOM 460 O TYR A 29 15.506 24.408 -9.285 1.00 0.00 O ATOM 461 CB TYR A 29 15.632 21.185 -10.868 1.00 0.00 C ATOM 462 CG TYR A 29 16.830 20.274 -10.742 1.00 0.00 C ATOM 463 CD1 TYR A 29 18.024 20.721 -10.192 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.759 18.958 -11.179 1.00 0.00 C ATOM 465 CE1 TYR A 29 19.115 19.880 -10.082 1.00 0.00 C ATOM 466 CE2 TYR A 29 17.842 18.112 -11.073 1.00 0.00 C ATOM 467 CZ TYR A 29 19.019 18.574 -10.523 1.00 0.00 C ATOM 468 OH TYR A 29 20.104 17.732 -10.416 1.00 0.00 O ATOM 0 H TYR A 29 13.355 21.459 -9.486 1.00 0.00 H new ATOM 0 HA TYR A 29 16.225 22.025 -8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.750 20.580 -11.079 1.00 0.00 H new ATOM 0 HB3 TYR A 29 15.779 21.843 -11.724 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.101 21.741 -9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.839 18.591 -11.610 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.038 20.242 -9.654 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.769 17.092 -11.419 1.00 0.00 H new ATOM 0 HH TYR A 29 19.869 16.849 -10.771 1.00 0.00 H new ATOM 478 N GLU A 30 14.504 23.719 -11.178 1.00 0.00 N ATOM 479 CA GLU A 30 14.235 25.075 -11.647 1.00 0.00 C ATOM 480 C GLU A 30 13.434 25.063 -12.944 1.00 0.00 C ATOM 481 O GLU A 30 12.827 24.054 -13.304 1.00 0.00 O ATOM 482 CB GLU A 30 15.550 25.829 -11.853 1.00 0.00 C ATOM 483 CG GLU A 30 15.502 27.277 -11.397 1.00 0.00 C ATOM 484 CD GLU A 30 16.490 27.568 -10.284 1.00 0.00 C ATOM 485 OE1 GLU A 30 16.535 26.785 -9.312 1.00 0.00 O ATOM 486 OE2 GLU A 30 17.218 28.577 -10.385 1.00 0.00 O ATOM 0 H GLU A 30 14.179 22.981 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 30 13.642 25.583 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.343 25.313 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.814 25.799 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.712 27.929 -12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.494 27.514 -11.055 1.00 0.00 H new ATOM 493 N HIS A 31 13.436 26.196 -13.642 1.00 0.00 N ATOM 494 CA HIS A 31 12.710 26.324 -14.901 1.00 0.00 C ATOM 495 C HIS A 31 13.397 25.535 -16.010 1.00 0.00 C ATOM 496 O HIS A 31 14.406 25.972 -16.563 1.00 0.00 O ATOM 497 CB HIS A 31 12.599 27.796 -15.301 1.00 0.00 C ATOM 498 CG HIS A 31 12.037 28.672 -14.223 1.00 0.00 C ATOM 499 ND1 HIS A 31 11.826 30.024 -14.387 1.00 0.00 N ATOM 500 CD2 HIS A 31 11.644 28.381 -12.961 1.00 0.00 C ATOM 501 CE1 HIS A 31 11.329 30.528 -13.271 1.00 0.00 C ATOM 502 NE2 HIS A 31 11.208 29.553 -12.391 1.00 0.00 N ATOM 0 H HIS A 31 13.933 27.039 -13.356 1.00 0.00 H new ATOM 0 HA HIS A 31 11.710 25.916 -14.757 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.587 28.164 -15.578 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.969 27.876 -16.187 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.668 27.409 -12.490 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.066 31.563 -13.107 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.849 29.653 -11.441 1.00 0.00 H new ATOM 511 N ILE A 32 12.845 24.369 -16.329 1.00 0.00 N ATOM 512 CA ILE A 32 13.403 23.516 -17.370 1.00 0.00 C ATOM 513 C ILE A 32 12.451 23.410 -18.557 1.00 0.00 C ATOM 514 O ILE A 32 11.245 23.615 -18.414 1.00 0.00 O ATOM 515 CB ILE A 32 13.692 22.099 -16.837 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.413 22.168 -15.487 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.513 21.306 -17.844 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.846 21.224 -14.450 1.00 0.00 C ATOM 0 H ILE A 32 12.010 23.993 -15.880 1.00 0.00 H new ATOM 0 HA ILE A 32 14.337 23.976 -17.692 1.00 0.00 H new ATOM 0 HB ILE A 32 12.741 21.586 -16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.468 21.940 -15.636 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.358 23.188 -15.107 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.707 20.308 -17.450 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.961 21.225 -18.780 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.460 21.816 -18.024 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.405 21.327 -13.520 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.798 21.466 -14.272 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.926 20.198 -14.810 1.00 0.00 H new ATOM 530 N ASP A 33 12.994 23.078 -19.728 1.00 0.00 N ATOM 531 CA ASP A 33 12.184 22.931 -20.939 1.00 0.00 C ATOM 532 C ASP A 33 10.911 22.149 -20.634 1.00 0.00 C ATOM 533 O ASP A 33 9.798 22.655 -20.777 1.00 0.00 O ATOM 534 CB ASP A 33 12.990 22.208 -22.024 1.00 0.00 C ATOM 535 CG ASP A 33 12.590 22.635 -23.423 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.272 23.827 -23.612 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.598 21.776 -24.330 1.00 0.00 O ATOM 0 H ASP A 33 13.990 22.906 -19.865 1.00 0.00 H new ATOM 0 HA ASP A 33 11.910 23.923 -21.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.052 22.406 -21.876 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.849 21.132 -21.921 1.00 0.00 H new ATOM 542 N HIS A 34 11.105 20.916 -20.193 1.00 0.00 N ATOM 543 CA HIS A 34 10.013 20.026 -19.829 1.00 0.00 C ATOM 544 C HIS A 34 9.018 19.810 -20.967 1.00 0.00 C ATOM 545 O HIS A 34 8.546 20.758 -21.594 1.00 0.00 O ATOM 546 CB HIS A 34 9.285 20.541 -18.586 1.00 0.00 C ATOM 547 CG HIS A 34 9.984 20.189 -17.311 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.162 21.078 -16.274 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.572 19.036 -16.918 1.00 0.00 C ATOM 550 CE1 HIS A 34 10.832 20.486 -15.302 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.097 19.245 -15.667 1.00 0.00 N ATOM 0 H HIS A 34 12.030 20.502 -20.077 1.00 0.00 H new ATOM 0 HA HIS A 34 10.465 19.059 -19.610 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.186 21.624 -18.652 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.276 20.129 -18.566 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.620 18.118 -17.485 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.116 20.941 -14.365 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.606 18.557 -15.112 1.00 0.00 H new ATOM 560 N THR A 35 8.694 18.541 -21.205 1.00 0.00 N ATOM 561 CA THR A 35 7.741 18.158 -22.239 1.00 0.00 C ATOM 562 C THR A 35 6.568 17.417 -21.600 1.00 0.00 C ATOM 563 O THR A 35 6.629 17.058 -20.424 1.00 0.00 O ATOM 564 CB THR A 35 8.420 17.273 -23.289 1.00 0.00 C ATOM 565 OG1 THR A 35 9.577 17.906 -23.804 1.00 0.00 O ATOM 566 CG2 THR A 35 7.524 16.932 -24.461 1.00 0.00 C ATOM 0 H THR A 35 9.084 17.753 -20.688 1.00 0.00 H new ATOM 0 HA THR A 35 7.372 19.055 -22.735 1.00 0.00 H new ATOM 0 HB THR A 35 8.671 16.350 -22.767 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.907 17.404 -24.578 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.069 16.303 -25.165 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.644 16.397 -24.103 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.212 17.850 -24.960 1.00 0.00 H new ATOM 574 N PHE A 36 5.498 17.199 -22.358 1.00 0.00 N ATOM 575 CA PHE A 36 4.332 16.510 -21.815 1.00 0.00 C ATOM 576 C PHE A 36 3.675 15.588 -22.839 1.00 0.00 C ATOM 577 O PHE A 36 3.362 15.999 -23.957 1.00 0.00 O ATOM 578 CB PHE A 36 3.315 17.531 -21.302 1.00 0.00 C ATOM 579 CG PHE A 36 3.822 18.347 -20.148 1.00 0.00 C ATOM 580 CD1 PHE A 36 3.937 17.786 -18.886 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.186 19.672 -20.325 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.407 18.532 -17.822 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.655 20.423 -19.265 1.00 0.00 C ATOM 584 CZ PHE A 36 4.767 19.852 -18.012 1.00 0.00 C ATOM 0 H PHE A 36 5.413 17.484 -23.334 1.00 0.00 H new ATOM 0 HA PHE A 36 4.677 15.886 -20.991 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.039 18.200 -22.117 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.408 17.009 -20.998 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.656 16.755 -18.732 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.102 20.123 -21.303 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.493 18.084 -16.843 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.934 21.455 -19.415 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.135 20.437 -17.182 1.00 0.00 H new ATOM 594 N GLU A 37 3.451 14.341 -22.430 1.00 0.00 N ATOM 595 CA GLU A 37 2.808 13.346 -23.283 1.00 0.00 C ATOM 596 C GLU A 37 1.431 13.005 -22.723 1.00 0.00 C ATOM 597 O GLU A 37 1.269 12.033 -21.984 1.00 0.00 O ATOM 598 CB GLU A 37 3.669 12.083 -23.382 1.00 0.00 C ATOM 599 CG GLU A 37 3.826 11.557 -24.801 1.00 0.00 C ATOM 600 CD GLU A 37 4.669 10.299 -24.867 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.660 10.208 -24.112 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.342 9.406 -25.676 1.00 0.00 O ATOM 0 H GLU A 37 3.708 13.995 -21.506 1.00 0.00 H new ATOM 0 HA GLU A 37 2.695 13.760 -24.285 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.656 12.294 -22.971 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.226 11.303 -22.762 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.841 11.352 -25.219 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.282 12.328 -25.422 1.00 0.00 H new ATOM 609 N ILE A 38 0.450 13.834 -23.061 1.00 0.00 N ATOM 610 CA ILE A 38 -0.919 13.661 -22.584 1.00 0.00 C ATOM 611 C ILE A 38 -1.730 12.745 -23.496 1.00 0.00 C ATOM 612 O ILE A 38 -1.504 12.696 -24.701 1.00 0.00 O ATOM 613 CB ILE A 38 -1.629 15.026 -22.494 1.00 0.00 C ATOM 614 CG1 ILE A 38 -0.739 16.041 -21.779 1.00 0.00 C ATOM 615 CG2 ILE A 38 -2.969 14.902 -21.788 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.472 17.287 -22.587 1.00 0.00 C ATOM 0 H ILE A 38 0.579 14.642 -23.670 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.857 13.201 -21.598 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.816 15.377 -23.509 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.209 16.323 -20.837 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.211 15.568 -21.532 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.447 15.881 -21.739 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.609 14.213 -22.340 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.814 14.523 -20.778 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.166 17.961 -22.016 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.026 17.017 -23.518 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.416 17.784 -22.812 1.00 0.00 H new ATOM 628 N GLN A 39 -2.690 12.035 -22.907 1.00 0.00 N ATOM 629 CA GLN A 39 -3.562 11.136 -23.662 1.00 0.00 C ATOM 630 C GLN A 39 -4.830 10.847 -22.863 1.00 0.00 C ATOM 631 O GLN A 39 -4.762 10.403 -21.717 1.00 0.00 O ATOM 632 CB GLN A 39 -2.835 9.831 -24.010 1.00 0.00 C ATOM 633 CG GLN A 39 -2.618 8.911 -22.819 1.00 0.00 C ATOM 634 CD GLN A 39 -1.957 7.602 -23.202 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.551 6.532 -23.066 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.719 7.678 -23.677 1.00 0.00 N ATOM 0 H GLN A 39 -2.885 12.065 -21.906 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.837 11.625 -24.596 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.408 9.298 -24.769 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.868 10.072 -24.452 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.002 9.421 -22.079 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.578 8.704 -22.346 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.264 8.586 -23.773 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.223 6.828 -23.946 1.00 0.00 H new ATOM 645 N TYR A 40 -5.990 11.121 -23.459 1.00 0.00 N ATOM 646 CA TYR A 40 -7.259 10.902 -22.771 1.00 0.00 C ATOM 647 C TYR A 40 -8.055 9.750 -23.382 1.00 0.00 C ATOM 648 O TYR A 40 -8.461 9.800 -24.543 1.00 0.00 O ATOM 649 CB TYR A 40 -8.098 12.184 -22.770 1.00 0.00 C ATOM 650 CG TYR A 40 -8.220 12.850 -24.124 1.00 0.00 C ATOM 651 CD1 TYR A 40 -7.248 13.732 -24.582 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.313 12.600 -24.941 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.362 14.342 -25.818 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.435 13.205 -26.179 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.458 14.075 -26.612 1.00 0.00 C ATOM 656 OH TYR A 40 -8.574 14.679 -27.842 1.00 0.00 O ATOM 0 H TYR A 40 -6.076 11.491 -24.406 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.023 10.627 -21.743 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.097 11.950 -22.402 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.657 12.892 -22.068 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.389 13.944 -23.962 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.082 11.921 -24.604 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.597 15.024 -26.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.292 12.997 -26.803 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.257 14.216 -28.371 1.00 0.00 H new ATOM 666 N ARG A 41 -8.282 8.719 -22.571 1.00 0.00 N ATOM 667 CA ARG A 41 -9.041 7.541 -22.985 1.00 0.00 C ATOM 668 C ARG A 41 -10.454 7.623 -22.408 1.00 0.00 C ATOM 669 O ARG A 41 -10.733 8.483 -21.577 1.00 0.00 O ATOM 670 CB ARG A 41 -8.325 6.266 -22.496 1.00 0.00 C ATOM 671 CG ARG A 41 -9.201 5.018 -22.441 1.00 0.00 C ATOM 672 CD ARG A 41 -8.439 3.826 -21.887 1.00 0.00 C ATOM 673 NE ARG A 41 -9.311 2.679 -21.651 1.00 0.00 N ATOM 674 CZ ARG A 41 -10.160 2.597 -20.631 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.243 3.587 -19.753 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.924 1.524 -20.487 1.00 0.00 N ATOM 0 H ARG A 41 -7.945 8.677 -21.609 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.107 7.504 -24.072 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.477 6.069 -23.152 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.921 6.453 -21.501 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.075 5.213 -21.820 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.567 4.785 -23.441 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.651 3.544 -22.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.952 4.109 -20.954 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.266 1.897 -22.305 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.655 4.414 -19.859 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.895 3.522 -18.971 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.861 0.759 -21.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.575 1.463 -19.704 1.00 0.00 H new ATOM 690 N LYS A 42 -11.342 6.738 -22.843 1.00 0.00 N ATOM 691 CA LYS A 42 -12.710 6.744 -22.342 1.00 0.00 C ATOM 692 C LYS A 42 -13.096 5.384 -21.776 1.00 0.00 C ATOM 693 O LYS A 42 -12.609 4.348 -22.230 1.00 0.00 O ATOM 694 CB LYS A 42 -13.683 7.140 -23.449 1.00 0.00 C ATOM 695 CG LYS A 42 -13.235 8.355 -24.229 1.00 0.00 C ATOM 696 CD LYS A 42 -13.222 8.086 -25.724 1.00 0.00 C ATOM 697 CE LYS A 42 -11.840 8.301 -26.311 1.00 0.00 C ATOM 698 NZ LYS A 42 -11.883 8.469 -27.789 1.00 0.00 N ATOM 0 H LYS A 42 -11.143 6.015 -23.534 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.765 7.479 -21.539 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.805 6.301 -24.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.661 7.338 -23.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.901 9.191 -24.015 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.238 8.650 -23.903 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.545 7.062 -25.914 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.936 8.743 -26.220 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.387 9.183 -25.859 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.204 7.452 -26.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.918 8.613 -28.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.291 7.617 -28.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.469 9.294 -28.028 1.00 0.00 H new ATOM 712 N ASP A 43 -13.985 5.396 -20.790 1.00 0.00 N ATOM 713 CA ASP A 43 -14.452 4.166 -20.168 1.00 0.00 C ATOM 714 C ASP A 43 -15.071 3.237 -21.213 1.00 0.00 C ATOM 715 O ASP A 43 -15.195 2.033 -20.989 1.00 0.00 O ATOM 716 CB ASP A 43 -15.471 4.490 -19.070 1.00 0.00 C ATOM 717 CG ASP A 43 -16.179 3.257 -18.536 1.00 0.00 C ATOM 718 OD1 ASP A 43 -16.975 2.657 -19.289 1.00 0.00 O ATOM 719 OD2 ASP A 43 -15.935 2.891 -17.367 1.00 0.00 O ATOM 0 H ASP A 43 -14.397 6.246 -20.405 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.600 3.655 -19.719 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.963 4.995 -18.248 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.212 5.186 -19.463 1.00 0.00 H new ATOM 724 N THR A 44 -15.456 3.804 -22.353 1.00 0.00 N ATOM 725 CA THR A 44 -16.057 3.025 -23.428 1.00 0.00 C ATOM 726 C THR A 44 -15.005 2.618 -24.455 1.00 0.00 C ATOM 727 O THR A 44 -15.004 1.487 -24.943 1.00 0.00 O ATOM 728 CB THR A 44 -17.167 3.830 -24.107 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.619 4.818 -24.960 1.00 0.00 O ATOM 730 CG2 THR A 44 -18.084 4.529 -23.126 1.00 0.00 C ATOM 0 H THR A 44 -15.362 4.799 -22.555 1.00 0.00 H new ATOM 0 HA THR A 44 -16.486 2.121 -22.996 1.00 0.00 H new ATOM 0 HB THR A 44 -17.750 3.101 -24.670 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.344 5.321 -25.386 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.848 5.082 -23.673 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.561 3.789 -22.483 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.504 5.220 -22.515 1.00 0.00 H new ATOM 738 N ALA A 45 -14.109 3.548 -24.776 1.00 0.00 N ATOM 739 CA ALA A 45 -13.049 3.286 -25.742 1.00 0.00 C ATOM 740 C ALA A 45 -11.776 2.813 -25.046 1.00 0.00 C ATOM 741 O ALA A 45 -11.790 2.496 -23.857 1.00 0.00 O ATOM 742 CB ALA A 45 -12.774 4.532 -26.571 1.00 0.00 C ATOM 0 H ALA A 45 -14.097 4.488 -24.381 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.382 2.489 -26.406 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.981 4.324 -27.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.679 4.821 -27.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.465 5.345 -25.914 1.00 0.00 H new ATOM 748 N THR A 46 -10.677 2.768 -25.794 1.00 0.00 N ATOM 749 CA THR A 46 -9.397 2.331 -25.245 1.00 0.00 C ATOM 750 C THR A 46 -8.322 3.396 -25.444 1.00 0.00 C ATOM 751 O THR A 46 -8.539 4.389 -26.138 1.00 0.00 O ATOM 752 CB THR A 46 -8.957 1.021 -25.900 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.356 1.266 -27.159 1.00 0.00 O ATOM 754 CG2 THR A 46 -10.096 0.048 -26.115 1.00 0.00 C ATOM 0 H THR A 46 -10.647 3.028 -26.780 1.00 0.00 H new ATOM 0 HA THR A 46 -9.529 2.170 -24.175 1.00 0.00 H new ATOM 0 HB THR A 46 -8.246 0.575 -25.205 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.080 0.416 -27.561 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.715 -0.860 -26.583 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.548 -0.201 -25.155 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.846 0.503 -26.762 1.00 0.00 H new ATOM 762 N TRP A 47 -7.162 3.178 -24.832 1.00 0.00 N ATOM 763 CA TRP A 47 -6.052 4.118 -24.945 1.00 0.00 C ATOM 764 C TRP A 47 -5.593 4.235 -26.393 1.00 0.00 C ATOM 765 O TRP A 47 -5.334 5.334 -26.884 1.00 0.00 O ATOM 766 CB TRP A 47 -4.886 3.679 -24.057 1.00 0.00 C ATOM 767 CG TRP A 47 -5.223 3.682 -22.597 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.547 2.602 -21.829 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.274 4.823 -21.731 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.800 3.001 -20.538 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.638 4.360 -20.452 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.047 6.191 -21.911 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.783 5.215 -19.363 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.190 7.039 -20.829 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.555 6.548 -19.569 1.00 0.00 C ATOM 0 H TRP A 47 -6.966 2.361 -24.254 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.398 5.096 -24.610 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.573 2.677 -24.349 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.037 4.341 -24.229 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.597 1.583 -22.183 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.065 2.386 -19.769 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.765 6.578 -22.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.065 4.839 -18.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.018 8.097 -20.957 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.659 7.236 -18.743 1.00 0.00 H new ATOM 786 N LYS A 48 -5.501 3.098 -27.078 1.00 0.00 N ATOM 787 CA LYS A 48 -5.083 3.085 -28.475 1.00 0.00 C ATOM 788 C LYS A 48 -5.914 4.072 -29.286 1.00 0.00 C ATOM 789 O LYS A 48 -5.453 4.614 -30.290 1.00 0.00 O ATOM 790 CB LYS A 48 -5.218 1.676 -29.059 1.00 0.00 C ATOM 791 CG LYS A 48 -3.886 0.973 -29.268 1.00 0.00 C ATOM 792 CD LYS A 48 -3.356 1.186 -30.677 1.00 0.00 C ATOM 793 CE LYS A 48 -1.850 1.396 -30.682 1.00 0.00 C ATOM 794 NZ LYS A 48 -1.440 2.457 -31.642 1.00 0.00 N ATOM 0 H LYS A 48 -5.709 2.178 -26.690 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.036 3.385 -28.526 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.837 1.074 -28.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.741 1.736 -30.013 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.160 1.346 -28.545 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.004 -0.094 -29.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.606 0.323 -31.295 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.846 2.051 -31.124 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.518 1.666 -29.679 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.354 0.461 -30.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.406 2.569 -31.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.734 2.188 -32.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.893 3.356 -31.380 1.00 0.00 H new ATOM 808 N ASP A 49 -7.142 4.306 -28.831 1.00 0.00 N ATOM 809 CA ASP A 49 -8.045 5.236 -29.498 1.00 0.00 C ATOM 810 C ASP A 49 -7.870 6.640 -28.934 1.00 0.00 C ATOM 811 O ASP A 49 -8.094 7.634 -29.626 1.00 0.00 O ATOM 812 CB ASP A 49 -9.495 4.788 -29.322 1.00 0.00 C ATOM 813 CG ASP A 49 -10.366 5.175 -30.502 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.825 6.335 -30.544 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.585 4.318 -31.383 1.00 0.00 O ATOM 0 H ASP A 49 -7.534 3.862 -28.001 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.803 5.247 -30.561 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.525 3.706 -29.191 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.902 5.231 -28.413 1.00 0.00 H new ATOM 820 N SER A 50 -7.471 6.709 -27.668 1.00 0.00 N ATOM 821 CA SER A 50 -7.264 7.984 -26.993 1.00 0.00 C ATOM 822 C SER A 50 -6.445 8.937 -27.855 1.00 0.00 C ATOM 823 O SER A 50 -5.622 8.510 -28.664 1.00 0.00 O ATOM 824 CB SER A 50 -6.557 7.764 -25.654 1.00 0.00 C ATOM 825 OG SER A 50 -5.174 7.521 -25.842 1.00 0.00 O ATOM 0 H SER A 50 -7.284 5.892 -27.087 1.00 0.00 H new ATOM 0 HA SER A 50 -8.242 8.432 -26.818 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.693 8.640 -25.019 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.010 6.920 -25.134 1.00 0.00 H new ATOM 0 HG SER A 50 -5.037 6.582 -26.086 1.00 0.00 H new ATOM 831 N LYS A 51 -6.671 10.233 -27.667 1.00 0.00 N ATOM 832 CA LYS A 51 -5.951 11.251 -28.416 1.00 0.00 C ATOM 833 C LYS A 51 -4.751 11.744 -27.619 1.00 0.00 C ATOM 834 O LYS A 51 -4.902 12.313 -26.538 1.00 0.00 O ATOM 835 CB LYS A 51 -6.880 12.418 -28.747 1.00 0.00 C ATOM 836 CG LYS A 51 -7.280 12.476 -30.210 1.00 0.00 C ATOM 837 CD LYS A 51 -6.860 13.791 -30.846 1.00 0.00 C ATOM 838 CE LYS A 51 -6.423 13.596 -32.289 1.00 0.00 C ATOM 839 NZ LYS A 51 -5.725 14.798 -32.823 1.00 0.00 N ATOM 0 H LYS A 51 -7.349 10.602 -27.000 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.594 10.812 -29.347 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.779 12.341 -28.135 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.388 13.352 -28.475 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.821 11.647 -30.748 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.360 12.355 -30.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.690 14.496 -30.808 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.043 14.229 -30.273 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.761 12.732 -32.355 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.294 13.378 -32.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.443 14.626 -33.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.365 15.617 -32.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.879 14.992 -32.250 1.00 0.00 H new ATOM 853 N THR A 52 -3.556 11.509 -28.149 1.00 0.00 N ATOM 854 CA THR A 52 -2.333 11.918 -27.473 1.00 0.00 C ATOM 855 C THR A 52 -2.001 13.379 -27.754 1.00 0.00 C ATOM 856 O THR A 52 -1.830 13.780 -28.904 1.00 0.00 O ATOM 857 CB THR A 52 -1.163 11.032 -27.902 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.495 9.663 -27.765 1.00 0.00 O ATOM 859 CG2 THR A 52 0.101 11.282 -27.105 1.00 0.00 C ATOM 0 H THR A 52 -3.409 11.039 -29.042 1.00 0.00 H new ATOM 0 HA THR A 52 -2.498 11.805 -26.402 1.00 0.00 H new ATOM 0 HB THR A 52 -0.972 11.289 -28.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.735 9.112 -28.046 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.892 10.621 -27.460 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.411 12.319 -27.231 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.089 11.086 -26.050 1.00 0.00 H new ATOM 867 N GLU A 53 -1.898 14.165 -26.688 1.00 0.00 N ATOM 868 CA GLU A 53 -1.571 15.577 -26.809 1.00 0.00 C ATOM 869 C GLU A 53 -0.104 15.806 -26.485 1.00 0.00 C ATOM 870 O GLU A 53 0.390 15.379 -25.441 1.00 0.00 O ATOM 871 CB GLU A 53 -2.449 16.414 -25.880 1.00 0.00 C ATOM 872 CG GLU A 53 -3.151 17.565 -26.583 1.00 0.00 C ATOM 873 CD GLU A 53 -4.025 17.097 -27.729 1.00 0.00 C ATOM 874 OE1 GLU A 53 -4.550 15.966 -27.649 1.00 0.00 O ATOM 875 OE2 GLU A 53 -4.184 17.859 -28.705 1.00 0.00 O ATOM 0 H GLU A 53 -2.037 13.845 -25.729 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.760 15.887 -27.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.198 15.768 -25.421 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.834 16.812 -25.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.762 18.108 -25.862 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.406 18.265 -26.961 1.00 0.00 H new ATOM 882 N THR A 54 0.588 16.480 -27.389 1.00 0.00 N ATOM 883 CA THR A 54 2.002 16.768 -27.209 1.00 0.00 C ATOM 884 C THR A 54 2.196 18.188 -26.692 1.00 0.00 C ATOM 885 O THR A 54 2.481 19.108 -27.459 1.00 0.00 O ATOM 886 CB THR A 54 2.749 16.574 -28.528 1.00 0.00 C ATOM 887 OG1 THR A 54 1.861 16.683 -29.627 1.00 0.00 O ATOM 888 CG2 THR A 54 3.442 15.232 -28.628 1.00 0.00 C ATOM 0 H THR A 54 0.192 16.839 -28.258 1.00 0.00 H new ATOM 0 HA THR A 54 2.408 16.076 -26.471 1.00 0.00 H new ATOM 0 HB THR A 54 3.505 17.359 -28.553 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.358 16.558 -30.463 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.954 15.157 -29.588 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.169 15.137 -27.821 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.704 14.434 -28.547 1.00 0.00 H new ATOM 896 N LEU A 55 2.025 18.359 -25.386 1.00 0.00 N ATOM 897 CA LEU A 55 2.165 19.666 -24.756 1.00 0.00 C ATOM 898 C LEU A 55 3.621 19.975 -24.428 1.00 0.00 C ATOM 899 O LEU A 55 4.249 19.286 -23.625 1.00 0.00 O ATOM 900 CB LEU A 55 1.315 19.724 -23.484 1.00 0.00 C ATOM 901 CG LEU A 55 -0.175 20.005 -23.709 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.414 21.495 -23.892 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.694 19.230 -24.906 1.00 0.00 C ATOM 0 H LEU A 55 1.788 17.605 -24.741 1.00 0.00 H new ATOM 0 HA LEU A 55 1.816 20.420 -25.461 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.414 18.776 -22.956 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.720 20.497 -22.830 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.722 19.674 -22.826 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.477 21.676 -24.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.084 22.029 -23.001 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.147 21.850 -24.756 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.753 19.445 -25.047 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.142 19.526 -25.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.560 18.162 -24.734 1.00 0.00 H new ATOM 915 N GLN A 56 4.148 21.022 -25.056 1.00 0.00 N ATOM 916 CA GLN A 56 5.528 21.436 -24.832 1.00 0.00 C ATOM 917 C GLN A 56 5.573 22.720 -24.011 1.00 0.00 C ATOM 918 O GLN A 56 5.200 23.790 -24.492 1.00 0.00 O ATOM 919 CB GLN A 56 6.243 21.640 -26.169 1.00 0.00 C ATOM 920 CG GLN A 56 7.723 21.960 -26.027 1.00 0.00 C ATOM 921 CD GLN A 56 8.589 21.133 -26.956 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.366 21.101 -28.167 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.583 20.456 -26.392 1.00 0.00 N ATOM 0 H GLN A 56 3.639 21.600 -25.725 1.00 0.00 H new ATOM 0 HA GLN A 56 6.039 20.650 -24.276 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.131 20.739 -26.772 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.756 22.450 -26.712 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.884 23.018 -26.232 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.032 21.785 -24.996 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.731 20.512 -25.384 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.198 19.880 -26.967 1.00 0.00 H new ATOM 932 N ASN A 57 6.024 22.604 -22.766 1.00 0.00 N ATOM 933 CA ASN A 57 6.109 23.755 -21.875 1.00 0.00 C ATOM 934 C ASN A 57 4.717 24.279 -21.531 1.00 0.00 C ATOM 935 O ASN A 57 4.552 25.448 -21.182 1.00 0.00 O ATOM 936 CB ASN A 57 6.944 24.864 -22.518 1.00 0.00 C ATOM 937 CG ASN A 57 8.374 24.878 -22.015 1.00 0.00 C ATOM 938 OD1 ASN A 57 8.637 25.218 -20.861 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.309 24.505 -22.882 1.00 0.00 N ATOM 0 H ASN A 57 6.336 21.726 -22.352 1.00 0.00 H new ATOM 0 HA ASN A 57 6.595 23.436 -20.953 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.944 24.734 -23.600 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.480 25.829 -22.313 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.289 24.493 -22.601 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.046 24.231 -23.829 1.00 0.00 H new ATOM 946 N ALA A 58 3.719 23.405 -21.633 1.00 0.00 N ATOM 947 CA ALA A 58 2.340 23.776 -21.335 1.00 0.00 C ATOM 948 C ALA A 58 1.838 23.058 -20.086 1.00 0.00 C ATOM 949 O ALA A 58 2.043 21.855 -19.925 1.00 0.00 O ATOM 950 CB ALA A 58 1.444 23.464 -22.524 1.00 0.00 C ATOM 0 H ALA A 58 3.841 22.434 -21.920 1.00 0.00 H new ATOM 0 HA ALA A 58 2.309 24.848 -21.142 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.417 23.745 -22.290 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.785 24.026 -23.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.487 22.397 -22.742 1.00 0.00 H new ATOM 956 N HIS A 59 1.179 23.804 -19.204 1.00 0.00 N ATOM 957 CA HIS A 59 0.648 23.235 -17.970 1.00 0.00 C ATOM 958 C HIS A 59 -0.848 22.952 -18.086 1.00 0.00 C ATOM 959 O HIS A 59 -1.539 22.809 -17.078 1.00 0.00 O ATOM 960 CB HIS A 59 0.904 24.181 -16.797 1.00 0.00 C ATOM 961 CG HIS A 59 2.009 23.729 -15.897 1.00 0.00 C ATOM 962 ND1 HIS A 59 1.999 23.930 -14.533 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.166 23.079 -16.171 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.103 23.427 -14.007 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.826 22.905 -14.981 1.00 0.00 N ATOM 0 H HIS A 59 1.000 24.801 -19.321 1.00 0.00 H new ATOM 0 HA HIS A 59 1.162 22.290 -17.793 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.144 25.171 -17.185 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.012 24.280 -16.214 1.00 0.00 H new ATOM 0 HD1 HIS A 59 1.256 24.394 -14.011 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.505 22.758 -17.145 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.368 23.441 -12.960 1.00 0.00 H new ATOM 974 N SER A 60 -1.341 22.869 -19.318 1.00 0.00 N ATOM 975 CA SER A 60 -2.754 22.600 -19.559 1.00 0.00 C ATOM 976 C SER A 60 -3.068 22.666 -21.049 1.00 0.00 C ATOM 977 O SER A 60 -2.392 23.362 -21.805 1.00 0.00 O ATOM 978 CB SER A 60 -3.626 23.603 -18.800 1.00 0.00 C ATOM 979 OG SER A 60 -3.249 24.936 -19.097 1.00 0.00 O ATOM 0 H SER A 60 -0.783 22.984 -20.164 1.00 0.00 H new ATOM 0 HA SER A 60 -2.974 21.595 -19.199 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.673 23.451 -19.063 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.538 23.427 -17.728 1.00 0.00 H new ATOM 0 HG SER A 60 -3.823 25.556 -18.601 1.00 0.00 H new ATOM 985 N MET A 61 -4.099 21.939 -21.465 1.00 0.00 N ATOM 986 CA MET A 61 -4.500 21.922 -22.862 1.00 0.00 C ATOM 987 C MET A 61 -5.985 22.233 -22.996 1.00 0.00 C ATOM 988 O MET A 61 -6.609 22.733 -22.059 1.00 0.00 O ATOM 989 CB MET A 61 -4.186 20.563 -23.490 1.00 0.00 C ATOM 990 CG MET A 61 -5.060 19.438 -22.967 1.00 0.00 C ATOM 991 SD MET A 61 -5.895 18.535 -24.287 1.00 0.00 S ATOM 992 CE MET A 61 -5.169 16.909 -24.098 1.00 0.00 C ATOM 0 H MET A 61 -4.670 21.355 -20.854 1.00 0.00 H new ATOM 0 HA MET A 61 -3.936 22.690 -23.391 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.307 20.634 -24.571 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.141 20.318 -23.302 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.447 18.746 -22.390 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.805 19.849 -22.286 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.232 16.370 -25.043 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.124 17.009 -23.806 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.709 16.357 -23.329 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.547 21.934 -24.159 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.958 22.180 -24.407 1.00 0.00 C ATOM 1004 C ALA A 62 -8.599 20.978 -25.080 1.00 0.00 C ATOM 1005 O ALA A 62 -8.761 20.955 -26.300 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.135 23.428 -25.259 1.00 0.00 C ATOM 0 H ALA A 62 -6.046 21.520 -24.945 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.455 22.341 -23.450 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.197 23.600 -25.437 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.711 24.287 -24.739 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.625 23.293 -26.213 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.957 19.976 -24.277 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.580 18.755 -24.791 1.00 0.00 C ATOM 1014 C LEU A 63 -10.592 19.073 -25.895 1.00 0.00 C ATOM 1015 O LEU A 63 -11.717 19.490 -25.615 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.267 17.995 -23.655 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.332 17.498 -22.551 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.116 17.209 -21.281 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.577 16.260 -23.010 1.00 0.00 C ATOM 0 H LEU A 63 -8.826 19.986 -23.265 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.795 18.130 -25.218 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.020 18.644 -23.208 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.793 17.139 -24.077 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.605 18.281 -22.334 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.436 16.856 -20.506 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.610 18.120 -20.943 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.865 16.443 -21.482 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.917 15.920 -22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.287 15.470 -23.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.985 16.501 -23.893 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.194 18.900 -27.168 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.056 19.191 -28.308 1.00 0.00 C ATOM 1033 C PRO A 64 -11.984 18.035 -28.682 1.00 0.00 C ATOM 1034 O PRO A 64 -13.205 18.154 -28.582 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.058 19.469 -29.432 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.819 18.708 -29.076 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.864 18.428 -27.591 1.00 0.00 C ATOM 0 HA PRO A 64 -11.736 20.017 -28.096 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.453 19.144 -30.395 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.851 20.536 -29.516 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.767 17.777 -29.640 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.930 19.285 -29.330 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.735 17.366 -27.383 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.069 18.955 -27.063 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.403 16.927 -29.128 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.186 15.767 -29.533 1.00 0.00 C ATOM 1047 C ALA A 65 -12.581 14.901 -28.340 1.00 0.00 C ATOM 1048 O ALA A 65 -11.856 13.983 -27.961 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.410 14.943 -30.549 1.00 0.00 C ATOM 0 H ALA A 65 -10.394 16.808 -29.218 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.106 16.132 -29.990 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.003 14.078 -30.846 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.196 15.554 -31.426 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.474 14.605 -30.105 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.746 15.189 -27.767 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.250 14.424 -26.631 1.00 0.00 C ATOM 1057 C LEU A 66 -15.623 13.839 -26.956 1.00 0.00 C ATOM 1058 O LEU A 66 -16.077 13.905 -28.098 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.326 15.297 -25.372 1.00 0.00 C ATOM 1060 CG LEU A 66 -13.000 15.920 -24.908 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -13.077 16.291 -23.433 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.833 14.973 -25.152 1.00 0.00 C ATOM 0 H LEU A 66 -14.358 15.946 -28.070 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.556 13.607 -26.435 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.039 16.101 -25.553 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.726 14.693 -24.558 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.830 16.824 -25.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.131 16.731 -23.119 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.881 17.011 -23.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.275 15.396 -22.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.908 15.441 -24.814 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.994 14.047 -24.600 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.760 14.753 -26.217 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.279 13.260 -25.955 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.593 12.660 -26.156 1.00 0.00 C ATOM 1076 C GLU A 67 -18.485 12.862 -24.934 1.00 0.00 C ATOM 1077 O GLU A 67 -18.029 12.742 -23.798 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.448 11.165 -26.452 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.815 10.872 -27.802 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.280 9.555 -28.393 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.751 8.500 -27.983 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.172 9.579 -29.267 1.00 0.00 O ATOM 0 H GLU A 67 -15.924 13.194 -25.001 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.063 13.154 -27.007 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.845 10.705 -25.669 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.432 10.698 -26.412 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.053 11.680 -28.494 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.731 10.854 -27.694 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.776 13.168 -25.154 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.734 13.380 -24.069 1.00 0.00 C ATOM 1091 C PRO A 68 -21.235 12.068 -23.479 1.00 0.00 C ATOM 1092 O PRO A 68 -21.180 11.023 -24.130 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.873 14.125 -24.758 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.844 13.636 -26.164 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.403 13.326 -26.480 1.00 0.00 C ATOM 0 HA PRO A 68 -20.296 13.919 -23.229 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.831 13.911 -24.284 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.727 15.204 -24.710 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.466 12.748 -26.279 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.237 14.391 -26.845 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.311 12.418 -27.076 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.937 14.130 -27.049 1.00 0.00 H new ATOM 1103 N SER A 69 -21.723 12.125 -22.245 1.00 0.00 N ATOM 1104 CA SER A 69 -22.235 10.936 -21.570 1.00 0.00 C ATOM 1105 C SER A 69 -21.223 9.796 -21.638 1.00 0.00 C ATOM 1106 O SER A 69 -21.595 8.625 -21.725 1.00 0.00 O ATOM 1107 CB SER A 69 -23.560 10.497 -22.197 1.00 0.00 C ATOM 1108 OG SER A 69 -24.585 10.419 -21.221 1.00 0.00 O ATOM 0 H SER A 69 -21.775 12.980 -21.691 1.00 0.00 H new ATOM 0 HA SER A 69 -22.404 11.187 -20.523 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.849 11.202 -22.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.435 9.526 -22.676 1.00 0.00 H new ATOM 0 HG SER A 69 -25.422 10.138 -21.647 1.00 0.00 H new ATOM 1114 N THR A 70 -19.943 10.151 -21.599 1.00 0.00 N ATOM 1115 CA THR A 70 -18.868 9.165 -21.653 1.00 0.00 C ATOM 1116 C THR A 70 -17.779 9.502 -20.641 1.00 0.00 C ATOM 1117 O THR A 70 -17.453 10.670 -20.431 1.00 0.00 O ATOM 1118 CB THR A 70 -18.272 9.110 -23.068 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.190 8.526 -23.974 1.00 0.00 O ATOM 1120 CG2 THR A 70 -16.977 8.323 -23.156 1.00 0.00 C ATOM 0 H THR A 70 -19.623 11.117 -21.530 1.00 0.00 H new ATOM 0 HA THR A 70 -19.283 8.189 -21.403 1.00 0.00 H new ATOM 0 HB THR A 70 -18.060 10.147 -23.327 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.914 9.160 -24.160 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.617 8.329 -24.185 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.229 8.779 -22.507 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.154 7.295 -22.839 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.209 8.471 -20.030 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.143 8.663 -19.057 1.00 0.00 C ATOM 1130 C ARG A 71 -14.829 8.902 -19.785 1.00 0.00 C ATOM 1131 O ARG A 71 -14.630 8.402 -20.891 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.025 7.443 -18.145 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.178 7.772 -16.669 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.366 6.513 -15.840 1.00 0.00 C ATOM 1135 NE ARG A 71 -17.450 5.681 -16.355 1.00 0.00 N ATOM 1136 CZ ARG A 71 -18.733 5.878 -16.066 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -19.091 6.879 -15.273 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -19.659 5.077 -16.574 1.00 0.00 N ATOM 0 H ARG A 71 -17.466 7.497 -20.191 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.377 9.531 -18.440 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.784 6.714 -18.427 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.055 6.972 -18.305 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.297 8.311 -16.321 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.033 8.434 -16.528 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.439 5.940 -15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.578 6.787 -14.806 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.209 4.905 -16.971 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.382 7.500 -14.883 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.076 7.028 -15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.388 4.308 -17.187 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.643 5.229 -16.352 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.940 9.678 -19.180 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.664 9.975 -19.814 1.00 0.00 C ATOM 1154 C TYR A 72 -11.491 9.797 -18.857 1.00 0.00 C ATOM 1155 O TYR A 72 -11.290 10.595 -17.941 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.675 11.394 -20.382 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.146 11.456 -21.816 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.480 11.242 -22.139 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.255 11.719 -22.849 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.912 11.286 -23.452 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.682 11.768 -24.163 1.00 0.00 C ATOM 1162 CZ TYR A 72 -14.008 11.549 -24.459 1.00 0.00 C ATOM 1163 OH TYR A 72 -14.430 11.589 -25.767 1.00 0.00 O ATOM 0 H TYR A 72 -14.076 10.107 -18.265 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.530 9.261 -20.627 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.321 12.020 -19.767 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.671 11.812 -20.318 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.191 11.038 -21.352 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.213 11.888 -22.622 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.952 11.115 -23.687 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.977 11.977 -24.954 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.845 11.028 -26.317 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.712 8.750 -19.100 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.538 8.451 -18.296 1.00 0.00 C ATOM 1175 C TRP A 73 -8.281 8.928 -19.016 1.00 0.00 C ATOM 1176 O TRP A 73 -7.863 8.332 -20.008 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.448 6.948 -18.036 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.636 6.396 -17.310 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.902 6.236 -17.801 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.667 5.932 -15.956 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.716 5.701 -16.831 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.982 5.506 -15.692 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.710 5.835 -14.943 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.363 4.991 -14.455 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -10.089 5.324 -13.715 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.406 4.907 -13.481 1.00 0.00 C ATOM 0 H TRP A 73 -10.877 8.088 -19.858 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.622 8.970 -17.341 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.340 6.428 -18.988 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.549 6.741 -17.456 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.216 6.492 -18.802 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.707 5.484 -16.942 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.693 6.153 -15.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.378 4.670 -14.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.358 5.245 -12.924 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.671 4.511 -12.512 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.692 10.013 -18.527 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.497 10.565 -19.151 1.00 0.00 C ATOM 1199 C ALA A 74 -5.272 10.441 -18.253 1.00 0.00 C ATOM 1200 O ALA A 74 -5.379 10.131 -17.067 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.729 12.021 -19.527 1.00 0.00 C ATOM 0 H ALA A 74 -8.019 10.524 -17.707 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.299 9.984 -20.052 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.830 12.424 -19.993 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.561 12.088 -20.227 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.962 12.596 -18.631 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.108 10.697 -18.839 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.844 10.631 -18.120 1.00 0.00 C ATOM 1209 C ARG A 75 -1.837 11.571 -18.767 1.00 0.00 C ATOM 1210 O ARG A 75 -2.123 12.173 -19.804 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.308 9.197 -18.105 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.376 8.509 -19.458 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.501 7.263 -19.495 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.284 6.031 -19.464 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.692 5.441 -18.343 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.436 5.993 -17.163 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.361 4.297 -18.400 1.00 0.00 N ATOM 0 H ARG A 75 -4.015 10.955 -19.821 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.007 10.942 -17.088 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.273 9.208 -17.764 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.876 8.613 -17.381 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.408 8.237 -19.677 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.057 9.202 -20.236 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.889 7.279 -20.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.817 7.277 -18.646 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.533 5.597 -20.353 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.924 6.874 -17.112 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.751 5.536 -16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.563 3.869 -19.303 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.673 3.845 -17.540 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.664 11.714 -18.157 1.00 0.00 N ATOM 1232 CA VAL A 76 0.349 12.608 -18.699 1.00 0.00 C ATOM 1233 C VAL A 76 1.765 12.226 -18.261 1.00 0.00 C ATOM 1234 O VAL A 76 2.012 11.953 -17.086 1.00 0.00 O ATOM 1235 CB VAL A 76 0.063 14.066 -18.281 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.385 14.293 -16.807 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.833 15.034 -19.162 1.00 0.00 C ATOM 0 H VAL A 76 -0.396 11.230 -17.300 1.00 0.00 H new ATOM 0 HA VAL A 76 0.298 12.514 -19.784 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.002 14.253 -18.417 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.173 15.329 -16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.227 13.631 -16.195 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.439 14.082 -16.628 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.619 16.057 -18.852 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.902 14.842 -19.066 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.532 14.899 -20.201 1.00 0.00 H new ATOM 1247 N ARG A 77 2.691 12.240 -19.218 1.00 0.00 N ATOM 1248 CA ARG A 77 4.092 11.931 -18.941 1.00 0.00 C ATOM 1249 C ARG A 77 4.914 13.214 -18.983 1.00 0.00 C ATOM 1250 O ARG A 77 4.786 14.005 -19.917 1.00 0.00 O ATOM 1251 CB ARG A 77 4.644 10.935 -19.964 1.00 0.00 C ATOM 1252 CG ARG A 77 3.702 9.785 -20.275 1.00 0.00 C ATOM 1253 CD ARG A 77 4.334 8.806 -21.252 1.00 0.00 C ATOM 1254 NE ARG A 77 4.676 7.537 -20.616 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.318 6.554 -21.238 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.685 6.697 -22.505 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.594 5.428 -20.597 1.00 0.00 N ATOM 0 H ARG A 77 2.495 12.463 -20.194 1.00 0.00 H new ATOM 0 HA ARG A 77 4.158 11.481 -17.951 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.870 11.467 -20.888 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.585 10.530 -19.591 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.441 9.266 -19.353 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.775 10.174 -20.695 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.646 8.623 -22.077 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.233 9.251 -21.679 1.00 0.00 H new ATOM 0 HE ARG A 77 4.408 7.398 -19.642 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.474 7.562 -23.002 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.178 5.942 -22.982 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.313 5.314 -19.623 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.087 4.675 -21.077 1.00 0.00 H new ATOM 1271 N VAL A 78 5.747 13.431 -17.971 1.00 0.00 N ATOM 1272 CA VAL A 78 6.562 14.638 -17.925 1.00 0.00 C ATOM 1273 C VAL A 78 8.053 14.329 -17.910 1.00 0.00 C ATOM 1274 O VAL A 78 8.549 13.604 -17.048 1.00 0.00 O ATOM 1275 CB VAL A 78 6.227 15.509 -16.700 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.591 14.781 -15.417 1.00 0.00 C ATOM 1277 CG2 VAL A 78 6.944 16.851 -16.784 1.00 0.00 C ATOM 0 H VAL A 78 5.875 12.797 -17.182 1.00 0.00 H new ATOM 0 HA VAL A 78 6.324 15.186 -18.836 1.00 0.00 H new ATOM 0 HB VAL A 78 5.154 15.699 -16.693 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.348 15.410 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.028 13.850 -15.355 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.658 14.560 -15.414 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.695 17.452 -15.910 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.021 16.687 -16.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.630 17.375 -17.686 1.00 0.00 H new ATOM 1287 N ARG A 79 8.757 14.920 -18.863 1.00 0.00 N ATOM 1288 CA ARG A 79 10.199 14.767 -18.987 1.00 0.00 C ATOM 1289 C ARG A 79 10.806 16.147 -19.186 1.00 0.00 C ATOM 1290 O ARG A 79 10.075 17.096 -19.436 1.00 0.00 O ATOM 1291 CB ARG A 79 10.552 13.855 -20.165 1.00 0.00 C ATOM 1292 CG ARG A 79 10.100 14.396 -21.513 1.00 0.00 C ATOM 1293 CD ARG A 79 11.206 14.301 -22.551 1.00 0.00 C ATOM 1294 NE ARG A 79 10.702 14.488 -23.909 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.465 14.409 -24.995 1.00 0.00 C ATOM 1296 NH1 ARG A 79 12.762 14.154 -24.880 1.00 0.00 N ATOM 1297 NH2 ARG A 79 10.933 14.587 -26.197 1.00 0.00 N ATOM 0 H ARG A 79 8.343 15.522 -19.575 1.00 0.00 H new ATOM 0 HA ARG A 79 10.599 14.305 -18.084 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.631 13.706 -20.187 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.098 12.877 -20.005 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.229 13.838 -21.856 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.790 15.435 -21.404 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.966 15.053 -22.340 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.691 13.328 -22.475 1.00 0.00 H new ATOM 0 HE ARG A 79 9.710 14.690 -24.031 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.175 14.018 -23.957 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.346 14.094 -25.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.937 14.785 -26.290 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.520 14.526 -27.029 1.00 0.00 H new ATOM 1311 N THR A 80 12.125 16.265 -19.081 1.00 0.00 N ATOM 1312 CA THR A 80 12.785 17.558 -19.258 1.00 0.00 C ATOM 1313 C THR A 80 13.085 17.793 -20.731 1.00 0.00 C ATOM 1314 O THR A 80 13.008 18.915 -21.233 1.00 0.00 O ATOM 1315 CB THR A 80 14.081 17.612 -18.446 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.082 16.809 -19.044 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.912 17.144 -17.016 1.00 0.00 C ATOM 0 H THR A 80 12.756 15.490 -18.876 1.00 0.00 H new ATOM 0 HA THR A 80 12.116 18.341 -18.901 1.00 0.00 H new ATOM 0 HB THR A 80 14.371 18.663 -18.436 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.888 17.347 -19.191 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.868 17.208 -16.497 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.182 17.776 -16.510 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.564 16.111 -17.010 1.00 0.00 H new ATOM 1325 N SER A 81 13.423 16.711 -21.407 1.00 0.00 N ATOM 1326 CA SER A 81 13.740 16.732 -22.825 1.00 0.00 C ATOM 1327 C SER A 81 15.073 17.422 -23.104 1.00 0.00 C ATOM 1328 O SER A 81 15.441 17.620 -24.262 1.00 0.00 O ATOM 1329 CB SER A 81 12.633 17.411 -23.624 1.00 0.00 C ATOM 1330 OG SER A 81 12.859 18.806 -23.730 1.00 0.00 O ATOM 0 H SER A 81 13.486 15.785 -20.985 1.00 0.00 H new ATOM 0 HA SER A 81 13.824 15.692 -23.142 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.578 16.972 -24.620 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.671 17.231 -23.143 1.00 0.00 H new ATOM 0 HG SER A 81 13.094 19.167 -22.850 1.00 0.00 H new ATOM 1336 N ARG A 82 15.801 17.781 -22.049 1.00 0.00 N ATOM 1337 CA ARG A 82 17.092 18.438 -22.214 1.00 0.00 C ATOM 1338 C ARG A 82 17.816 18.586 -20.883 1.00 0.00 C ATOM 1339 O ARG A 82 17.371 18.068 -19.859 1.00 0.00 O ATOM 1340 CB ARG A 82 16.918 19.813 -22.854 1.00 0.00 C ATOM 1341 CG ARG A 82 17.088 19.811 -24.364 1.00 0.00 C ATOM 1342 CD ARG A 82 15.875 20.401 -25.062 1.00 0.00 C ATOM 1343 NE ARG A 82 16.218 20.979 -26.359 1.00 0.00 N ATOM 1344 CZ ARG A 82 16.485 20.254 -27.439 1.00 0.00 C ATOM 1345 NH1 ARG A 82 16.450 18.929 -27.378 1.00 0.00 N ATOM 1346 NH2 ARG A 82 16.788 20.852 -28.583 1.00 0.00 N ATOM 0 H ARG A 82 15.521 17.629 -21.080 1.00 0.00 H new ATOM 0 HA ARG A 82 17.695 17.808 -22.868 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.927 20.195 -22.610 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.641 20.501 -22.417 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.977 20.382 -24.632 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.248 18.790 -24.712 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.122 19.625 -25.199 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.430 21.169 -24.429 1.00 0.00 H new ATOM 0 HE ARG A 82 16.254 21.995 -26.439 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.218 18.465 -26.500 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.656 18.375 -28.209 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.816 21.870 -28.634 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.993 20.294 -29.412 1.00 0.00 H new ATOM 1360 N THR A 83 18.939 19.298 -20.915 1.00 0.00 N ATOM 1361 CA THR A 83 19.752 19.525 -19.728 1.00 0.00 C ATOM 1362 C THR A 83 20.468 18.247 -19.319 1.00 0.00 C ATOM 1363 O THR A 83 20.054 17.543 -18.398 1.00 0.00 O ATOM 1364 CB THR A 83 18.908 20.074 -18.574 1.00 0.00 C ATOM 1365 OG1 THR A 83 18.275 19.032 -17.852 1.00 0.00 O ATOM 1366 CG2 THR A 83 17.833 21.039 -19.027 1.00 0.00 C ATOM 0 H THR A 83 19.308 19.731 -21.761 1.00 0.00 H new ATOM 0 HA THR A 83 20.504 20.276 -19.972 1.00 0.00 H new ATOM 0 HB THR A 83 19.616 20.607 -17.939 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.318 18.202 -18.371 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.272 21.391 -18.161 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.295 21.889 -19.529 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.157 20.533 -19.717 1.00 0.00 H new ATOM 1374 N GLY A 84 21.547 17.950 -20.032 1.00 0.00 N ATOM 1375 CA GLY A 84 22.322 16.753 -19.760 1.00 0.00 C ATOM 1376 C GLY A 84 21.447 15.531 -19.563 1.00 0.00 C ATOM 1377 O GLY A 84 21.828 14.593 -18.863 1.00 0.00 O ATOM 0 H GLY A 84 21.902 18.521 -20.799 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.011 16.574 -20.585 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.928 16.911 -18.868 1.00 0.00 H new ATOM 1381 N TYR A 85 20.269 15.547 -20.177 1.00 0.00 N ATOM 1382 CA TYR A 85 19.338 14.434 -20.058 1.00 0.00 C ATOM 1383 C TYR A 85 19.575 13.403 -21.168 1.00 0.00 C ATOM 1384 O TYR A 85 19.629 13.747 -22.348 1.00 0.00 O ATOM 1385 CB TYR A 85 17.892 14.976 -20.076 1.00 0.00 C ATOM 1386 CG TYR A 85 16.949 14.291 -21.043 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.439 13.031 -20.766 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.573 14.910 -22.225 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.579 12.402 -21.643 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.711 14.290 -23.112 1.00 0.00 C ATOM 1391 CZ TYR A 85 15.217 13.035 -22.816 1.00 0.00 C ATOM 1392 OH TYR A 85 14.359 12.413 -23.694 1.00 0.00 O ATOM 0 H TYR A 85 19.938 16.316 -20.760 1.00 0.00 H new ATOM 0 HA TYR A 85 19.503 13.921 -19.111 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.478 14.891 -19.071 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.924 16.038 -20.318 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.720 12.534 -19.849 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.959 15.892 -22.457 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.191 11.420 -21.413 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.427 14.784 -24.029 1.00 0.00 H new ATOM 0 HH TYR A 85 13.751 11.827 -23.197 1.00 0.00 H new ATOM 1402 N ASN A 86 19.714 12.140 -20.774 1.00 0.00 N ATOM 1403 CA ASN A 86 19.941 11.062 -21.737 1.00 0.00 C ATOM 1404 C ASN A 86 18.792 10.973 -22.753 1.00 0.00 C ATOM 1405 O ASN A 86 18.723 11.779 -23.682 1.00 0.00 O ATOM 1406 CB ASN A 86 20.153 9.719 -21.026 1.00 0.00 C ATOM 1407 CG ASN A 86 19.314 9.570 -19.773 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.692 8.854 -18.844 1.00 0.00 O ATOM 1409 ND2 ASN A 86 18.169 10.243 -19.733 1.00 0.00 N ATOM 0 H ASN A 86 19.674 11.837 -19.801 1.00 0.00 H new ATOM 0 HA ASN A 86 20.853 11.296 -22.286 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.914 8.909 -21.715 1.00 0.00 H new ATOM 0 HB3 ASN A 86 21.206 9.615 -20.765 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.567 10.177 -18.912 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.892 10.825 -20.523 1.00 0.00 H new ATOM 1416 N GLY A 87 17.888 10.001 -22.582 1.00 0.00 N ATOM 1417 CA GLY A 87 16.773 9.858 -23.497 1.00 0.00 C ATOM 1418 C GLY A 87 15.636 9.048 -22.900 1.00 0.00 C ATOM 1419 O GLY A 87 14.854 8.437 -23.628 1.00 0.00 O ATOM 0 H GLY A 87 17.914 9.316 -21.827 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.405 10.846 -23.775 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.117 9.377 -24.413 1.00 0.00 H new ATOM 1423 N ILE A 88 15.547 9.036 -21.573 1.00 0.00 N ATOM 1424 CA ILE A 88 14.499 8.286 -20.882 1.00 0.00 C ATOM 1425 C ILE A 88 13.233 9.127 -20.709 1.00 0.00 C ATOM 1426 O ILE A 88 13.087 10.183 -21.325 1.00 0.00 O ATOM 1427 CB ILE A 88 14.990 7.744 -19.504 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.714 8.718 -18.339 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.475 7.411 -19.562 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.980 10.178 -18.648 1.00 0.00 C ATOM 0 H ILE A 88 16.186 9.536 -20.954 1.00 0.00 H new ATOM 0 HA ILE A 88 14.255 7.429 -21.510 1.00 0.00 H new ATOM 0 HB ILE A 88 14.416 6.839 -19.306 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.673 8.610 -18.034 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.327 8.425 -17.487 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.802 7.034 -18.593 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.648 6.651 -20.324 1.00 0.00 H new ATOM 0 HG23 ILE A 88 17.040 8.309 -19.811 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.757 10.782 -17.769 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.027 10.307 -18.921 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.347 10.496 -19.477 1.00 0.00 H new ATOM 1442 N TRP A 89 12.327 8.654 -19.859 1.00 0.00 N ATOM 1443 CA TRP A 89 11.082 9.362 -19.598 1.00 0.00 C ATOM 1444 C TRP A 89 10.626 9.156 -18.158 1.00 0.00 C ATOM 1445 O TRP A 89 11.165 8.314 -17.440 1.00 0.00 O ATOM 1446 CB TRP A 89 9.995 8.895 -20.563 1.00 0.00 C ATOM 1447 CG TRP A 89 9.928 9.720 -21.808 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.778 9.663 -22.871 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.963 10.732 -22.114 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.401 10.575 -23.826 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.288 11.244 -23.384 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.856 11.254 -21.439 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.545 12.252 -23.992 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 7.120 12.254 -22.044 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.467 12.744 -23.309 1.00 0.00 C ATOM 0 H TRP A 89 12.433 7.783 -19.340 1.00 0.00 H new ATOM 0 HA TRP A 89 11.261 10.426 -19.751 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.178 7.855 -20.832 1.00 0.00 H new ATOM 0 HB3 TRP A 89 9.029 8.929 -20.058 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.625 8.998 -22.951 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.871 10.730 -24.718 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.581 10.882 -20.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.810 12.632 -24.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.262 12.665 -21.533 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.871 13.527 -23.755 1.00 0.00 H new ATOM 1466 N SER A 90 9.631 9.934 -17.744 1.00 0.00 N ATOM 1467 CA SER A 90 9.101 9.842 -16.388 1.00 0.00 C ATOM 1468 C SER A 90 8.451 8.483 -16.146 1.00 0.00 C ATOM 1469 O SER A 90 9.081 7.571 -15.613 1.00 0.00 O ATOM 1470 CB SER A 90 8.086 10.961 -16.136 1.00 0.00 C ATOM 1471 OG SER A 90 7.526 11.427 -17.352 1.00 0.00 O ATOM 0 H SER A 90 9.175 10.635 -18.328 1.00 0.00 H new ATOM 0 HA SER A 90 9.933 9.953 -15.693 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.293 10.596 -15.483 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.572 11.787 -15.616 1.00 0.00 H new ATOM 0 HG SER A 90 8.152 12.044 -17.785 1.00 0.00 H new ATOM 1477 N GLU A 91 7.187 8.355 -16.539 1.00 0.00 N ATOM 1478 CA GLU A 91 6.458 7.105 -16.359 1.00 0.00 C ATOM 1479 C GLU A 91 5.026 7.230 -16.871 1.00 0.00 C ATOM 1480 O GLU A 91 4.733 6.865 -18.009 1.00 0.00 O ATOM 1481 CB GLU A 91 6.452 6.704 -14.883 1.00 0.00 C ATOM 1482 CG GLU A 91 7.429 5.590 -14.545 1.00 0.00 C ATOM 1483 CD GLU A 91 6.773 4.224 -14.525 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.740 3.565 -15.585 1.00 0.00 O ATOM 1485 OE2 GLU A 91 6.292 3.812 -13.448 1.00 0.00 O ATOM 0 H GLU A 91 6.648 9.099 -16.983 1.00 0.00 H new ATOM 0 HA GLU A 91 6.964 6.332 -16.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.690 7.579 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.446 6.389 -14.606 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.239 5.589 -15.274 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.877 5.788 -13.571 1.00 0.00 H new ATOM 1492 N TRP A 92 4.139 7.746 -16.022 1.00 0.00 N ATOM 1493 CA TRP A 92 2.734 7.920 -16.378 1.00 0.00 C ATOM 1494 C TRP A 92 1.917 8.290 -15.143 1.00 0.00 C ATOM 1495 O TRP A 92 1.610 7.434 -14.314 1.00 0.00 O ATOM 1496 CB TRP A 92 2.171 6.637 -16.996 1.00 0.00 C ATOM 1497 CG TRP A 92 2.138 6.648 -18.494 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.643 5.691 -19.326 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.572 7.657 -19.339 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.422 6.040 -20.636 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.767 7.244 -20.671 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.918 8.871 -19.101 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.332 7.997 -21.757 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.488 9.618 -20.182 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.696 9.179 -21.495 1.00 0.00 C ATOM 0 H TRP A 92 4.372 8.052 -15.077 1.00 0.00 H new ATOM 0 HA TRP A 92 2.667 8.725 -17.110 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.771 5.791 -16.662 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.160 6.478 -16.621 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.143 4.791 -19.002 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.700 5.492 -21.450 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.752 9.218 -18.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.491 7.660 -22.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.017 10.557 -20.010 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.347 9.786 -22.317 1.00 0.00 H new ATOM 1516 N SER A 93 1.568 9.568 -15.021 1.00 0.00 N ATOM 1517 CA SER A 93 0.789 10.041 -13.879 1.00 0.00 C ATOM 1518 C SER A 93 -0.413 9.134 -13.628 1.00 0.00 C ATOM 1519 O SER A 93 -0.726 8.261 -14.439 1.00 0.00 O ATOM 1520 CB SER A 93 0.320 11.478 -14.115 1.00 0.00 C ATOM 1521 OG SER A 93 -0.571 11.552 -15.213 1.00 0.00 O ATOM 0 H SER A 93 1.811 10.293 -15.696 1.00 0.00 H new ATOM 0 HA SER A 93 1.430 10.017 -12.998 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.172 11.855 -13.218 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.182 12.119 -14.299 1.00 0.00 H new ATOM 0 HG SER A 93 -1.296 12.177 -15.004 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.080 9.341 -12.497 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.244 8.538 -12.139 1.00 0.00 C ATOM 1529 C GLU A 94 -3.444 8.890 -13.012 1.00 0.00 C ATOM 1530 O GLU A 94 -3.943 10.015 -12.978 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.593 8.736 -10.663 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.708 7.827 -10.174 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.429 7.245 -8.803 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.367 6.611 -8.632 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -4.273 7.423 -7.900 1.00 0.00 O ATOM 0 H GLU A 94 -0.835 10.057 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.994 7.491 -12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.702 8.560 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.885 9.774 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.642 8.389 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.848 7.015 -10.887 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.900 7.916 -13.792 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.040 8.110 -14.677 1.00 0.00 C ATOM 1544 C ALA A 95 -6.234 8.686 -13.922 1.00 0.00 C ATOM 1545 O ALA A 95 -6.643 8.154 -12.889 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.415 6.793 -15.337 1.00 0.00 C ATOM 0 H ALA A 95 -3.495 6.981 -13.828 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.756 8.827 -15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.269 6.947 -15.997 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.570 6.423 -15.917 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.676 6.063 -14.571 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.788 9.777 -14.442 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.933 10.425 -13.815 1.00 0.00 C ATOM 1554 C ARG A 96 -9.169 10.336 -14.707 1.00 0.00 C ATOM 1555 O ARG A 96 -9.152 10.780 -15.854 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.614 11.889 -13.510 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.520 12.069 -12.469 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.020 11.735 -11.073 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.898 12.869 -10.160 1.00 0.00 N ATOM 1560 CZ ARG A 96 -6.885 12.748 -8.837 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.980 11.551 -8.278 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -6.773 13.826 -8.071 1.00 0.00 N ATOM 0 H ARG A 96 -6.462 10.230 -15.296 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.145 9.904 -12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.312 12.386 -14.432 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.520 12.385 -13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.672 11.430 -12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.160 13.098 -12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.063 11.424 -11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.455 10.890 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.819 13.804 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.063 10.720 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.970 11.460 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.697 14.749 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.763 13.731 -7.055 1.00 0.00 H new ATOM 1576 N SER A 97 -10.239 9.762 -14.168 1.00 0.00 N ATOM 1577 CA SER A 97 -11.485 9.617 -14.912 1.00 0.00 C ATOM 1578 C SER A 97 -12.449 10.752 -14.580 1.00 0.00 C ATOM 1579 O SER A 97 -12.613 11.117 -13.415 1.00 0.00 O ATOM 1580 CB SER A 97 -12.133 8.265 -14.601 1.00 0.00 C ATOM 1581 OG SER A 97 -13.080 8.375 -13.553 1.00 0.00 O ATOM 0 H SER A 97 -10.269 9.390 -13.219 1.00 0.00 H new ATOM 0 HA SER A 97 -11.255 9.662 -15.977 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.621 7.879 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.363 7.546 -14.323 1.00 0.00 H new ATOM 0 HG SER A 97 -13.501 7.503 -13.400 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.083 11.308 -15.607 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.027 12.403 -15.412 1.00 0.00 C ATOM 1589 C TRP A 98 -15.235 12.260 -16.337 1.00 0.00 C ATOM 1590 O TRP A 98 -15.186 11.536 -17.332 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.328 13.754 -15.636 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.189 14.150 -17.078 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.107 14.825 -17.832 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.068 13.906 -17.938 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.625 15.013 -19.104 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.375 14.457 -19.192 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.835 13.274 -17.770 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.492 14.394 -20.265 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.961 13.213 -18.837 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.294 13.772 -20.071 1.00 0.00 C ATOM 0 H TRP A 98 -12.962 11.021 -16.578 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.389 12.363 -14.384 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.886 14.529 -15.111 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.336 13.715 -15.185 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.071 15.161 -17.479 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.117 15.489 -19.860 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.568 12.839 -16.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.747 14.824 -21.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.005 12.725 -18.715 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.590 13.711 -20.888 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.316 12.956 -16.002 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.535 12.908 -16.801 1.00 0.00 C ATOM 1613 C ASP A 99 -17.620 14.114 -17.730 1.00 0.00 C ATOM 1614 O ASP A 99 -17.457 15.255 -17.297 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.767 12.856 -15.896 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.662 13.802 -14.717 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.017 14.861 -14.861 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.225 13.483 -13.648 1.00 0.00 O ATOM 0 H ASP A 99 -16.373 13.560 -15.182 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.506 12.003 -17.408 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.653 13.105 -16.480 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.902 11.838 -15.530 1.00 0.00 H new ATOM 1623 N THR A 100 -17.873 13.853 -19.008 1.00 0.00 N ATOM 1624 CA THR A 100 -17.976 14.916 -20.001 1.00 0.00 C ATOM 1625 C THR A 100 -19.277 15.697 -19.836 1.00 0.00 C ATOM 1626 O THR A 100 -19.369 16.858 -20.236 1.00 0.00 O ATOM 1627 CB THR A 100 -17.898 14.332 -21.410 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.619 13.115 -21.484 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.481 14.056 -21.866 1.00 0.00 C ATOM 0 H THR A 100 -18.011 12.914 -19.381 1.00 0.00 H new ATOM 0 HA THR A 100 -17.142 15.601 -19.849 1.00 0.00 H new ATOM 0 HB THR A 100 -18.330 15.089 -22.064 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.228 12.545 -22.179 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.497 13.643 -22.874 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.911 14.985 -21.864 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.013 13.342 -21.188 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.280 15.052 -19.249 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.575 15.686 -19.035 1.00 0.00 C ATOM 1639 C GLU A 101 -22.323 15.854 -20.353 1.00 0.00 C ATOM 1640 O GLU A 101 -22.031 16.757 -21.136 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.395 17.047 -18.358 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.028 17.128 -16.980 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.354 17.862 -16.990 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -24.390 17.214 -17.246 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.357 19.086 -16.742 1.00 0.00 O ATOM 0 H GLU A 101 -20.220 14.091 -18.913 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.165 15.040 -18.384 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.330 17.263 -18.273 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -21.827 17.820 -18.994 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -22.178 16.120 -16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.343 17.632 -16.299 1.00 0.00 H new ATOM 1652 N SER A 102 -23.289 14.973 -20.592 1.00 0.00 N ATOM 1653 CA SER A 102 -24.083 15.016 -21.815 1.00 0.00 C ATOM 1654 C SER A 102 -24.628 16.419 -22.064 1.00 0.00 C ATOM 1655 O SER A 102 -25.570 16.823 -21.349 1.00 0.00 O ATOM 1656 CB SER A 102 -25.237 14.016 -21.727 1.00 0.00 C ATOM 1657 OG SER A 102 -26.051 14.274 -20.598 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.111 17.102 -22.973 1.00 0.00 O ATOM 0 H SER A 102 -23.541 14.219 -19.953 1.00 0.00 H new ATOM 0 HA SER A 102 -23.436 14.747 -22.650 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.840 14.071 -22.634 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.840 13.002 -21.669 1.00 0.00 H new ATOM 0 HG SER A 102 -26.153 15.242 -20.483 1.00 0.00 H new