USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 843 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 16 SER OG : rot 100:sc= 0.55 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0175 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.12 USER MOD Single : A 3 SER OG : rot 180:sc= -0.025 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 162:sc= -0.105 (180deg=-0.566) USER MOD Single : A 13 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 163:sc= 0.00851 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -150:sc= -0.757 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.9!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc=-0.00162 (180deg=-0.0791) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00242) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00211 K(o=-0.0021,f=-1.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 0.529 (180deg=0.0886) USER MOD Single : A 74 THR OG1 : rot -5:sc= -0.506 USER MOD Single : A 75 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.8!) USER MOD Single : A 78 SER OG : rot -19:sc= -1.86! USER MOD Single : A 82 TYR OH : rot 180:sc= 0.0194 USER MOD Single : A 84 HIS : no HD1:sc= -0.0956 K(o=-0.096,f=-1.2) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.5!) USER MOD Single : A 90 MET CE :methyl -147:sc= -0.456 (180deg=-1.44) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 96 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 29:sc= 0.567 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.585 25.849 -52.414 1.00 0.00 N ATOM 2 CA GLY A 1 -18.229 25.445 -52.736 1.00 0.00 C ATOM 3 C GLY A 1 -17.658 24.473 -51.723 1.00 0.00 C ATOM 4 O GLY A 1 -18.380 23.635 -51.181 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.126 25.979 -53.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.038 25.114 -51.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.564 26.744 -51.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.215 24.985 -53.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.592 26.328 -52.786 1.00 0.00 H new ATOM 8 N SER A 2 -16.358 24.582 -51.468 1.00 0.00 N ATOM 9 CA SER A 2 -15.689 23.702 -50.518 1.00 0.00 C ATOM 10 C SER A 2 -14.274 24.191 -50.228 1.00 0.00 C ATOM 11 O SER A 2 -13.746 25.052 -50.931 1.00 0.00 O ATOM 12 CB SER A 2 -15.646 22.271 -51.058 1.00 0.00 C ATOM 13 OG SER A 2 -15.131 21.375 -50.089 1.00 0.00 O ATOM 0 H SER A 2 -15.747 25.271 -51.906 1.00 0.00 H new ATOM 0 HA SER A 2 -16.257 23.714 -49.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.649 21.959 -51.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.028 22.236 -51.955 1.00 0.00 H new ATOM 0 HG SER A 2 -15.116 20.467 -50.458 1.00 0.00 H new ATOM 19 N SER A 3 -13.664 23.634 -49.186 1.00 0.00 N ATOM 20 CA SER A 3 -12.310 24.015 -48.800 1.00 0.00 C ATOM 21 C SER A 3 -11.593 22.855 -48.116 1.00 0.00 C ATOM 22 O SER A 3 -12.226 21.911 -47.643 1.00 0.00 O ATOM 23 CB SER A 3 -12.346 25.227 -47.867 1.00 0.00 C ATOM 24 OG SER A 3 -12.960 26.338 -48.498 1.00 0.00 O ATOM 0 H SER A 3 -14.086 22.918 -48.594 1.00 0.00 H new ATOM 0 HA SER A 3 -11.761 24.276 -49.704 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.891 24.974 -46.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.331 25.490 -47.568 1.00 0.00 H new ATOM 0 HG SER A 3 -12.972 27.099 -47.881 1.00 0.00 H new ATOM 30 N GLY A 4 -10.267 22.932 -48.068 1.00 0.00 N ATOM 31 CA GLY A 4 -9.484 21.883 -47.441 1.00 0.00 C ATOM 32 C GLY A 4 -8.023 22.258 -47.295 1.00 0.00 C ATOM 33 O GLY A 4 -7.585 23.287 -47.810 1.00 0.00 O ATOM 0 H GLY A 4 -9.720 23.703 -48.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.899 21.663 -46.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.564 20.971 -48.033 1.00 0.00 H new ATOM 37 N SER A 5 -7.267 21.424 -46.589 1.00 0.00 N ATOM 38 CA SER A 5 -5.848 21.676 -46.371 1.00 0.00 C ATOM 39 C SER A 5 -4.993 20.788 -47.271 1.00 0.00 C ATOM 40 O SER A 5 -5.436 19.730 -47.718 1.00 0.00 O ATOM 41 CB SER A 5 -5.484 21.435 -44.904 1.00 0.00 C ATOM 42 OG SER A 5 -4.382 22.235 -44.514 1.00 0.00 O ATOM 0 H SER A 5 -7.614 20.567 -46.158 1.00 0.00 H new ATOM 0 HA SER A 5 -5.648 22.718 -46.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.343 21.660 -44.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.244 20.382 -44.754 1.00 0.00 H new ATOM 0 HG SER A 5 -4.170 22.064 -43.573 1.00 0.00 H new ATOM 48 N SER A 6 -3.767 21.227 -47.532 1.00 0.00 N ATOM 49 CA SER A 6 -2.850 20.476 -48.381 1.00 0.00 C ATOM 50 C SER A 6 -2.180 19.352 -47.597 1.00 0.00 C ATOM 51 O SER A 6 -1.235 19.583 -46.844 1.00 0.00 O ATOM 52 CB SER A 6 -1.788 21.406 -48.970 1.00 0.00 C ATOM 53 OG SER A 6 -2.364 22.326 -49.881 1.00 0.00 O ATOM 0 H SER A 6 -3.385 22.100 -47.168 1.00 0.00 H new ATOM 0 HA SER A 6 -3.427 20.035 -49.194 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.290 21.949 -48.167 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.025 20.816 -49.478 1.00 0.00 H new ATOM 0 HG SER A 6 -1.665 22.910 -50.242 1.00 0.00 H new ATOM 59 N GLY A 7 -2.678 18.132 -47.779 1.00 0.00 N ATOM 60 CA GLY A 7 -2.116 16.990 -47.082 1.00 0.00 C ATOM 61 C GLY A 7 -2.443 16.996 -45.602 1.00 0.00 C ATOM 62 O GLY A 7 -1.992 17.870 -44.863 1.00 0.00 O ATOM 0 H GLY A 7 -3.460 17.915 -48.397 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.495 16.072 -47.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.034 16.985 -47.212 1.00 0.00 H new ATOM 66 N MET A 8 -3.232 16.018 -45.168 1.00 0.00 N ATOM 67 CA MET A 8 -3.620 15.915 -43.766 1.00 0.00 C ATOM 68 C MET A 8 -3.588 14.463 -43.299 1.00 0.00 C ATOM 69 O MET A 8 -4.330 13.622 -43.807 1.00 0.00 O ATOM 70 CB MET A 8 -5.018 16.500 -43.556 1.00 0.00 C ATOM 71 CG MET A 8 -5.022 18.008 -43.364 1.00 0.00 C ATOM 72 SD MET A 8 -6.688 18.689 -43.254 1.00 0.00 S ATOM 73 CE MET A 8 -7.303 17.844 -41.799 1.00 0.00 C ATOM 0 H MET A 8 -3.615 15.286 -45.767 1.00 0.00 H new ATOM 0 HA MET A 8 -2.904 16.485 -43.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.641 16.249 -44.415 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.473 16.030 -42.684 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.471 18.256 -42.457 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.496 18.478 -44.195 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.174 18.373 -41.412 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.584 16.824 -42.062 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.525 17.820 -41.036 1.00 0.00 H new ATOM 83 N ASP A 9 -2.726 14.176 -42.330 1.00 0.00 N ATOM 84 CA ASP A 9 -2.599 12.826 -41.794 1.00 0.00 C ATOM 85 C ASP A 9 -2.686 12.836 -40.271 1.00 0.00 C ATOM 86 O ASP A 9 -1.879 13.475 -39.597 1.00 0.00 O ATOM 87 CB ASP A 9 -1.276 12.201 -42.238 1.00 0.00 C ATOM 88 CG ASP A 9 -1.019 12.381 -43.721 1.00 0.00 C ATOM 89 OD1 ASP A 9 -1.979 12.255 -44.509 1.00 0.00 O ATOM 90 OD2 ASP A 9 0.143 12.648 -44.094 1.00 0.00 O ATOM 0 H ASP A 9 -2.104 14.861 -41.899 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.423 12.228 -42.183 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.458 12.649 -41.674 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.282 11.137 -42.000 1.00 0.00 H new ATOM 95 N ALA A 10 -3.672 12.123 -39.735 1.00 0.00 N ATOM 96 CA ALA A 10 -3.864 12.049 -38.292 1.00 0.00 C ATOM 97 C ALA A 10 -3.722 10.615 -37.793 1.00 0.00 C ATOM 98 O ALA A 10 -4.490 10.165 -36.941 1.00 0.00 O ATOM 99 CB ALA A 10 -5.226 12.610 -37.911 1.00 0.00 C ATOM 0 H ALA A 10 -4.350 11.589 -40.279 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.090 12.651 -37.816 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.356 12.548 -36.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.291 13.652 -38.225 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.008 12.033 -38.404 1.00 0.00 H new ATOM 105 N ILE A 11 -2.737 9.902 -38.328 1.00 0.00 N ATOM 106 CA ILE A 11 -2.495 8.519 -37.935 1.00 0.00 C ATOM 107 C ILE A 11 -1.168 8.381 -37.197 1.00 0.00 C ATOM 108 O ILE A 11 -0.115 8.760 -37.713 1.00 0.00 O ATOM 109 CB ILE A 11 -2.490 7.580 -39.156 1.00 0.00 C ATOM 110 CG1 ILE A 11 -3.829 7.659 -39.892 1.00 0.00 C ATOM 111 CG2 ILE A 11 -2.201 6.150 -38.723 1.00 0.00 C ATOM 112 CD1 ILE A 11 -3.747 7.235 -41.342 1.00 0.00 C ATOM 0 H ILE A 11 -2.094 10.259 -39.035 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.309 8.233 -37.269 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.702 7.899 -39.838 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.555 7.029 -39.378 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.203 8.682 -39.841 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.201 5.498 -39.597 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.226 6.107 -38.238 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.969 5.819 -38.024 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.732 7.316 -41.801 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.046 7.881 -41.871 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.404 6.202 -41.400 1.00 0.00 H new ATOM 124 N LEU A 12 -1.224 7.834 -35.988 1.00 0.00 N ATOM 125 CA LEU A 12 -0.025 7.643 -35.178 1.00 0.00 C ATOM 126 C LEU A 12 -0.089 6.325 -34.413 1.00 0.00 C ATOM 127 O LEU A 12 -1.135 5.681 -34.354 1.00 0.00 O ATOM 128 CB LEU A 12 0.143 8.807 -34.199 1.00 0.00 C ATOM 129 CG LEU A 12 -0.708 8.744 -32.929 1.00 0.00 C ATOM 130 CD1 LEU A 12 -0.196 9.734 -31.895 1.00 0.00 C ATOM 131 CD2 LEU A 12 -2.170 9.015 -33.253 1.00 0.00 C ATOM 0 H LEU A 12 -2.086 7.515 -35.547 1.00 0.00 H new ATOM 0 HA LEU A 12 0.835 7.612 -35.847 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.192 8.862 -33.907 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.091 9.733 -34.724 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.630 7.740 -32.511 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.813 9.675 -30.998 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.836 9.494 -31.641 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.244 10.744 -32.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.761 8.966 -32.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.267 10.007 -33.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.531 8.267 -33.958 1.00 0.00 H new ATOM 143 N ASN A 13 1.037 5.932 -33.827 1.00 0.00 N ATOM 144 CA ASN A 13 1.109 4.691 -33.064 1.00 0.00 C ATOM 145 C ASN A 13 1.684 4.941 -31.673 1.00 0.00 C ATOM 146 O ASN A 13 2.886 4.795 -31.451 1.00 0.00 O ATOM 147 CB ASN A 13 1.964 3.662 -33.804 1.00 0.00 C ATOM 148 CG ASN A 13 3.409 4.100 -33.939 1.00 0.00 C ATOM 149 OD1 ASN A 13 4.288 3.606 -33.232 1.00 0.00 O ATOM 150 ND2 ASN A 13 3.662 5.033 -34.850 1.00 0.00 N ATOM 0 H ASN A 13 1.912 6.455 -33.866 1.00 0.00 H new ATOM 0 HA ASN A 13 0.097 4.301 -32.955 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.924 2.711 -33.273 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.545 3.491 -34.796 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.616 5.368 -34.986 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.902 5.414 -35.414 1.00 0.00 H new ATOM 157 N TYR A 14 0.817 5.316 -30.739 1.00 0.00 N ATOM 158 CA TYR A 14 1.238 5.588 -29.370 1.00 0.00 C ATOM 159 C TYR A 14 0.033 5.835 -28.468 1.00 0.00 C ATOM 160 O TYR A 14 -0.801 6.696 -28.750 1.00 0.00 O ATOM 161 CB TYR A 14 2.174 6.797 -29.332 1.00 0.00 C ATOM 162 CG TYR A 14 2.207 7.496 -27.991 1.00 0.00 C ATOM 163 CD1 TYR A 14 3.046 7.054 -26.976 1.00 0.00 C ATOM 164 CD2 TYR A 14 1.398 8.597 -27.740 1.00 0.00 C ATOM 165 CE1 TYR A 14 3.079 7.689 -25.750 1.00 0.00 C ATOM 166 CE2 TYR A 14 1.425 9.239 -26.517 1.00 0.00 C ATOM 167 CZ TYR A 14 2.267 8.781 -25.525 1.00 0.00 C ATOM 168 OH TYR A 14 2.297 9.416 -24.305 1.00 0.00 O ATOM 0 H TYR A 14 -0.182 5.439 -30.905 1.00 0.00 H new ATOM 0 HA TYR A 14 1.772 4.712 -29.001 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.183 6.473 -29.588 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.864 7.510 -30.096 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.683 6.199 -27.148 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.737 8.957 -28.514 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.737 7.332 -24.972 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.791 10.095 -26.339 1.00 0.00 H new ATOM 0 HH TYR A 14 1.667 10.166 -24.311 1.00 0.00 H new ATOM 178 N ARG A 15 -0.051 5.074 -27.381 1.00 0.00 N ATOM 179 CA ARG A 15 -1.154 5.209 -26.437 1.00 0.00 C ATOM 180 C ARG A 15 -0.711 4.830 -25.027 1.00 0.00 C ATOM 181 O ARG A 15 -0.342 3.685 -24.768 1.00 0.00 O ATOM 182 CB ARG A 15 -2.331 4.333 -26.867 1.00 0.00 C ATOM 183 CG ARG A 15 -3.291 5.026 -27.820 1.00 0.00 C ATOM 184 CD ARG A 15 -4.523 4.176 -28.086 1.00 0.00 C ATOM 185 NE ARG A 15 -4.187 2.915 -28.742 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.058 2.194 -29.439 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.311 2.607 -29.570 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.676 1.057 -30.006 1.00 0.00 N ATOM 0 H ARG A 15 0.632 4.358 -27.133 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.470 6.252 -26.432 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.947 3.432 -27.344 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.879 4.015 -25.980 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.593 5.985 -27.400 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.783 5.236 -28.761 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.032 3.970 -27.144 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.221 4.734 -28.710 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.231 2.569 -28.660 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.608 3.480 -29.135 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.978 2.051 -30.106 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.713 0.736 -29.907 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.345 0.504 -30.541 1.00 0.00 H new ATOM 202 N SER A 16 -0.751 5.800 -24.119 1.00 0.00 N ATOM 203 CA SER A 16 -0.350 5.569 -22.736 1.00 0.00 C ATOM 204 C SER A 16 -1.538 5.732 -21.792 1.00 0.00 C ATOM 205 O SER A 16 -2.331 6.663 -21.931 1.00 0.00 O ATOM 206 CB SER A 16 0.768 6.535 -22.339 1.00 0.00 C ATOM 207 OG SER A 16 1.974 6.224 -23.014 1.00 0.00 O ATOM 0 H SER A 16 -1.057 6.753 -24.316 1.00 0.00 H new ATOM 0 HA SER A 16 0.018 4.546 -22.656 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.470 7.557 -22.573 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.928 6.488 -21.262 1.00 0.00 H new ATOM 0 HG SER A 16 2.084 6.824 -23.781 1.00 0.00 H new ATOM 213 N GLU A 17 -1.652 4.820 -20.831 1.00 0.00 N ATOM 214 CA GLU A 17 -2.743 4.862 -19.865 1.00 0.00 C ATOM 215 C GLU A 17 -2.330 5.628 -18.611 1.00 0.00 C ATOM 216 O GLU A 17 -1.336 5.295 -17.966 1.00 0.00 O ATOM 217 CB GLU A 17 -3.176 3.444 -19.489 1.00 0.00 C ATOM 218 CG GLU A 17 -2.201 2.734 -18.564 1.00 0.00 C ATOM 219 CD GLU A 17 -2.200 1.231 -18.760 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.189 0.581 -18.363 1.00 0.00 O ATOM 221 OE2 GLU A 17 -1.210 0.704 -19.310 1.00 0.00 O ATOM 0 H GLU A 17 -1.003 4.044 -20.701 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.583 5.380 -20.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.153 3.487 -19.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.294 2.856 -20.399 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.196 3.120 -18.736 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.457 2.961 -17.529 1.00 0.00 H new ATOM 228 N ASP A 18 -3.100 6.657 -18.273 1.00 0.00 N ATOM 229 CA ASP A 18 -2.815 7.471 -17.097 1.00 0.00 C ATOM 230 C ASP A 18 -3.958 7.388 -16.090 1.00 0.00 C ATOM 231 O ASP A 18 -5.071 7.841 -16.358 1.00 0.00 O ATOM 232 CB ASP A 18 -2.581 8.927 -17.503 1.00 0.00 C ATOM 233 CG ASP A 18 -1.848 9.715 -16.435 1.00 0.00 C ATOM 234 OD1 ASP A 18 -1.105 9.095 -15.646 1.00 0.00 O ATOM 235 OD2 ASP A 18 -2.018 10.951 -16.388 1.00 0.00 O ATOM 0 H ASP A 18 -3.926 6.947 -18.797 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.911 7.084 -16.627 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.007 8.955 -18.429 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.540 9.403 -17.708 1.00 0.00 H new ATOM 240 N THR A 19 -3.675 6.806 -14.928 1.00 0.00 N ATOM 241 CA THR A 19 -4.679 6.662 -13.882 1.00 0.00 C ATOM 242 C THR A 19 -4.068 6.083 -12.610 1.00 0.00 C ATOM 243 O THR A 19 -2.966 5.535 -12.635 1.00 0.00 O ATOM 244 CB THR A 19 -5.840 5.758 -14.337 1.00 0.00 C ATOM 245 OG1 THR A 19 -6.890 5.782 -13.365 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.364 4.327 -14.541 1.00 0.00 C ATOM 0 H THR A 19 -2.759 6.427 -14.688 1.00 0.00 H new ATOM 0 HA THR A 19 -5.065 7.660 -13.676 1.00 0.00 H new ATOM 0 HB THR A 19 -6.216 6.138 -15.287 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.625 5.206 -13.663 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.201 3.707 -14.862 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.585 4.308 -15.303 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.964 3.939 -13.604 1.00 0.00 H new ATOM 254 N GLU A 20 -4.791 6.208 -11.502 1.00 0.00 N ATOM 255 CA GLU A 20 -4.318 5.697 -10.221 1.00 0.00 C ATOM 256 C GLU A 20 -5.462 5.066 -9.431 1.00 0.00 C ATOM 257 O GLU A 20 -6.468 5.717 -9.148 1.00 0.00 O ATOM 258 CB GLU A 20 -3.677 6.820 -9.403 1.00 0.00 C ATOM 259 CG GLU A 20 -4.618 7.980 -9.121 1.00 0.00 C ATOM 260 CD GLU A 20 -3.893 9.203 -8.594 1.00 0.00 C ATOM 261 OE1 GLU A 20 -3.384 9.993 -9.417 1.00 0.00 O ATOM 262 OE2 GLU A 20 -3.836 9.371 -7.358 1.00 0.00 O ATOM 0 H GLU A 20 -5.706 6.658 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.570 4.930 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.323 6.412 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.803 7.193 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.149 8.243 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.369 7.666 -8.396 1.00 0.00 H new ATOM 269 N ASP A 21 -5.300 3.796 -9.079 1.00 0.00 N ATOM 270 CA ASP A 21 -6.318 3.077 -8.322 1.00 0.00 C ATOM 271 C ASP A 21 -5.681 2.029 -7.415 1.00 0.00 C ATOM 272 O ASP A 21 -4.661 1.431 -7.760 1.00 0.00 O ATOM 273 CB ASP A 21 -7.314 2.409 -9.271 1.00 0.00 C ATOM 274 CG ASP A 21 -8.468 3.323 -9.635 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.852 4.159 -8.791 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.986 3.202 -10.765 1.00 0.00 O ATOM 0 H ASP A 21 -4.474 3.243 -9.306 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.849 3.797 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.796 2.103 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.704 1.504 -8.806 1.00 0.00 H new ATOM 281 N TYR A 22 -6.287 1.812 -6.253 1.00 0.00 N ATOM 282 CA TYR A 22 -5.777 0.839 -5.294 1.00 0.00 C ATOM 283 C TYR A 22 -5.865 -0.577 -5.856 1.00 0.00 C ATOM 284 O TYR A 22 -4.990 -1.408 -5.613 1.00 0.00 O ATOM 285 CB TYR A 22 -6.558 0.928 -3.982 1.00 0.00 C ATOM 286 CG TYR A 22 -6.120 2.069 -3.092 1.00 0.00 C ATOM 287 CD1 TYR A 22 -5.555 3.218 -3.631 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.272 1.998 -1.713 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.153 4.263 -2.822 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.873 3.039 -0.896 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.314 4.169 -1.456 1.00 0.00 C ATOM 292 OH TYR A 22 -4.916 5.209 -0.646 1.00 0.00 O ATOM 0 H TYR A 22 -7.132 2.297 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.729 1.070 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.618 1.041 -4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.446 -0.010 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.428 3.296 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.709 1.115 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.715 5.149 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.998 2.968 0.174 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.100 4.984 0.290 1.00 0.00 H new ATOM 302 N TYR A 23 -6.926 -0.843 -6.609 1.00 0.00 N ATOM 303 CA TYR A 23 -7.130 -2.158 -7.205 1.00 0.00 C ATOM 304 C TYR A 23 -5.963 -2.530 -8.115 1.00 0.00 C ATOM 305 O TYR A 23 -5.557 -3.691 -8.180 1.00 0.00 O ATOM 306 CB TYR A 23 -8.438 -2.184 -7.998 1.00 0.00 C ATOM 307 CG TYR A 23 -9.670 -2.300 -7.129 1.00 0.00 C ATOM 308 CD1 TYR A 23 -10.108 -3.537 -6.672 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.397 -1.173 -6.767 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.233 -3.648 -5.878 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.523 -1.274 -5.972 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.937 -2.514 -5.531 1.00 0.00 C ATOM 313 OH TYR A 23 -13.059 -2.619 -4.741 1.00 0.00 O ATOM 0 H TYR A 23 -7.658 -0.166 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.187 -2.890 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.509 -1.275 -8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.414 -3.022 -8.694 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.559 -4.427 -6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.077 -0.201 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.559 -4.617 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.076 -0.388 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.279 -1.740 -4.367 1.00 0.00 H new ATOM 323 N THR A 24 -5.428 -1.536 -8.817 1.00 0.00 N ATOM 324 CA THR A 24 -4.308 -1.757 -9.724 1.00 0.00 C ATOM 325 C THR A 24 -3.042 -2.119 -8.956 1.00 0.00 C ATOM 326 O THR A 24 -2.332 -3.058 -9.317 1.00 0.00 O ATOM 327 CB THR A 24 -4.033 -0.514 -10.590 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.133 -0.281 -11.476 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.755 -0.688 -11.396 1.00 0.00 C ATOM 0 H THR A 24 -5.752 -0.570 -8.775 1.00 0.00 H new ATOM 0 HA THR A 24 -4.585 -2.588 -10.373 1.00 0.00 H new ATOM 0 HB THR A 24 -3.912 0.343 -9.928 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.951 0.512 -12.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.582 0.203 -12.000 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.915 -0.836 -10.718 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.852 -1.556 -12.049 1.00 0.00 H new ATOM 337 N LEU A 25 -2.764 -1.368 -7.896 1.00 0.00 N ATOM 338 CA LEU A 25 -1.582 -1.610 -7.076 1.00 0.00 C ATOM 339 C LEU A 25 -1.436 -3.094 -6.755 1.00 0.00 C ATOM 340 O LEU A 25 -0.331 -3.638 -6.774 1.00 0.00 O ATOM 341 CB LEU A 25 -1.663 -0.802 -5.779 1.00 0.00 C ATOM 342 CG LEU A 25 -2.093 0.658 -5.924 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.027 1.370 -4.581 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.224 1.371 -6.950 1.00 0.00 C ATOM 0 H LEU A 25 -3.341 -0.587 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.706 -1.292 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.361 -1.301 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.685 -0.826 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.125 0.679 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.337 2.408 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.692 0.874 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.005 1.338 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.545 2.409 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.183 1.339 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.322 0.876 -7.916 1.00 0.00 H new ATOM 356 N LEU A 26 -2.557 -3.744 -6.464 1.00 0.00 N ATOM 357 CA LEU A 26 -2.555 -5.167 -6.141 1.00 0.00 C ATOM 358 C LEU A 26 -3.105 -5.989 -7.303 1.00 0.00 C ATOM 359 O LEU A 26 -3.209 -7.212 -7.216 1.00 0.00 O ATOM 360 CB LEU A 26 -3.383 -5.426 -4.881 1.00 0.00 C ATOM 361 CG LEU A 26 -3.184 -4.437 -3.732 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.016 -4.844 -2.527 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.712 -4.342 -3.359 1.00 0.00 C ATOM 0 H LEU A 26 -3.479 -3.309 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.524 -5.472 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.438 -5.424 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.150 -6.427 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.519 -3.454 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.861 -4.128 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.071 -4.859 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.713 -5.837 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.589 -3.634 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.351 -5.323 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.139 -4.002 -4.222 1.00 0.00 H new ATOM 375 N GLY A 27 -3.453 -5.308 -8.391 1.00 0.00 N ATOM 376 CA GLY A 27 -3.985 -5.992 -9.555 1.00 0.00 C ATOM 377 C GLY A 27 -5.136 -6.916 -9.208 1.00 0.00 C ATOM 378 O GLY A 27 -5.241 -8.018 -9.749 1.00 0.00 O ATOM 0 H GLY A 27 -3.376 -4.295 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.322 -5.255 -10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.190 -6.568 -10.029 1.00 0.00 H new ATOM 382 N CYS A 28 -6.000 -6.469 -8.304 1.00 0.00 N ATOM 383 CA CYS A 28 -7.148 -7.265 -7.884 1.00 0.00 C ATOM 384 C CYS A 28 -8.454 -6.580 -8.271 1.00 0.00 C ATOM 385 O CYS A 28 -8.455 -5.448 -8.753 1.00 0.00 O ATOM 386 CB CYS A 28 -7.108 -7.498 -6.373 1.00 0.00 C ATOM 387 SG CYS A 28 -7.507 -6.034 -5.390 1.00 0.00 S ATOM 0 H CYS A 28 -5.928 -5.560 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.098 -8.227 -8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.808 -8.294 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.114 -7.848 -6.096 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.877 -6.089 -4.254 1.00 0.00 H new ATOM 393 N ASP A 29 -9.566 -7.276 -8.058 1.00 0.00 N ATOM 394 CA ASP A 29 -10.881 -6.736 -8.385 1.00 0.00 C ATOM 395 C ASP A 29 -11.919 -7.173 -7.357 1.00 0.00 C ATOM 396 O ASP A 29 -11.650 -8.031 -6.516 1.00 0.00 O ATOM 397 CB ASP A 29 -11.307 -7.186 -9.783 1.00 0.00 C ATOM 398 CG ASP A 29 -10.409 -6.629 -10.870 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.218 -7.002 -10.904 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.899 -5.822 -11.687 1.00 0.00 O ATOM 0 H ASP A 29 -9.583 -8.215 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.815 -5.648 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.296 -8.275 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.334 -6.869 -9.966 1.00 0.00 H new ATOM 405 N GLU A 30 -13.105 -6.578 -7.430 1.00 0.00 N ATOM 406 CA GLU A 30 -14.183 -6.905 -6.504 1.00 0.00 C ATOM 407 C GLU A 30 -14.410 -8.413 -6.445 1.00 0.00 C ATOM 408 O GLU A 30 -15.034 -8.923 -5.514 1.00 0.00 O ATOM 409 CB GLU A 30 -15.475 -6.200 -6.921 1.00 0.00 C ATOM 410 CG GLU A 30 -16.068 -6.730 -8.215 1.00 0.00 C ATOM 411 CD GLU A 30 -17.176 -5.846 -8.754 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.044 -4.608 -8.665 1.00 0.00 O ATOM 413 OE2 GLU A 30 -18.175 -6.394 -9.266 1.00 0.00 O ATOM 0 H GLU A 30 -13.344 -5.867 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.893 -6.559 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.211 -6.307 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.278 -5.134 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.280 -6.815 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.458 -7.734 -8.047 1.00 0.00 H new ATOM 420 N LEU A 31 -13.899 -9.122 -7.446 1.00 0.00 N ATOM 421 CA LEU A 31 -14.046 -10.572 -7.510 1.00 0.00 C ATOM 422 C LEU A 31 -13.039 -11.262 -6.595 1.00 0.00 C ATOM 423 O LEU A 31 -13.311 -12.332 -6.050 1.00 0.00 O ATOM 424 CB LEU A 31 -13.863 -11.060 -8.948 1.00 0.00 C ATOM 425 CG LEU A 31 -15.062 -10.873 -9.878 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.657 -11.108 -11.325 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.196 -11.806 -9.481 1.00 0.00 C ATOM 0 H LEU A 31 -13.379 -8.716 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.051 -10.826 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.008 -10.540 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.611 -12.120 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.414 -9.846 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.523 -10.971 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.879 -10.398 -11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.278 -12.124 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.041 -11.659 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.856 -12.840 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.505 -11.589 -8.458 1.00 0.00 H new ATOM 439 N SER A 32 -11.876 -10.640 -6.428 1.00 0.00 N ATOM 440 CA SER A 32 -10.827 -11.195 -5.580 1.00 0.00 C ATOM 441 C SER A 32 -11.100 -10.891 -4.110 1.00 0.00 C ATOM 442 O SER A 32 -11.760 -9.905 -3.781 1.00 0.00 O ATOM 443 CB SER A 32 -9.463 -10.633 -5.985 1.00 0.00 C ATOM 444 OG SER A 32 -9.029 -11.185 -7.216 1.00 0.00 O ATOM 0 H SER A 32 -11.636 -9.752 -6.869 1.00 0.00 H new ATOM 0 HA SER A 32 -10.820 -12.277 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.524 -9.548 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.731 -10.850 -5.207 1.00 0.00 H new ATOM 0 HG SER A 32 -8.156 -10.809 -7.454 1.00 0.00 H new ATOM 450 N SER A 33 -10.586 -11.744 -3.230 1.00 0.00 N ATOM 451 CA SER A 33 -10.776 -11.570 -1.795 1.00 0.00 C ATOM 452 C SER A 33 -9.440 -11.354 -1.092 1.00 0.00 C ATOM 453 O SER A 33 -8.376 -11.539 -1.685 1.00 0.00 O ATOM 454 CB SER A 33 -11.487 -12.788 -1.202 1.00 0.00 C ATOM 455 OG SER A 33 -12.894 -12.626 -1.239 1.00 0.00 O ATOM 0 H SER A 33 -10.034 -12.563 -3.486 1.00 0.00 H new ATOM 0 HA SER A 33 -11.395 -10.686 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.206 -13.683 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.162 -12.937 -0.172 1.00 0.00 H new ATOM 0 HG SER A 33 -13.325 -13.419 -0.856 1.00 0.00 H new ATOM 461 N VAL A 34 -9.502 -10.961 0.176 1.00 0.00 N ATOM 462 CA VAL A 34 -8.298 -10.721 0.962 1.00 0.00 C ATOM 463 C VAL A 34 -7.308 -11.872 0.818 1.00 0.00 C ATOM 464 O VAL A 34 -6.096 -11.672 0.881 1.00 0.00 O ATOM 465 CB VAL A 34 -8.630 -10.528 2.454 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.477 -11.682 2.966 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.354 -10.388 3.270 1.00 0.00 C ATOM 0 H VAL A 34 -10.374 -10.802 0.681 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.846 -9.807 0.577 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.206 -9.610 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.701 -11.528 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.407 -11.729 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.930 -12.617 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.608 -10.252 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.749 -11.287 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.790 -9.524 2.918 1.00 0.00 H new ATOM 477 N GLU A 35 -7.835 -13.077 0.624 1.00 0.00 N ATOM 478 CA GLU A 35 -6.997 -14.261 0.471 1.00 0.00 C ATOM 479 C GLU A 35 -6.026 -14.093 -0.693 1.00 0.00 C ATOM 480 O GLU A 35 -4.813 -14.221 -0.526 1.00 0.00 O ATOM 481 CB GLU A 35 -7.865 -15.502 0.251 1.00 0.00 C ATOM 482 CG GLU A 35 -8.309 -16.170 1.541 1.00 0.00 C ATOM 483 CD GLU A 35 -9.275 -15.316 2.338 1.00 0.00 C ATOM 484 OE1 GLU A 35 -10.178 -14.710 1.725 1.00 0.00 O ATOM 485 OE2 GLU A 35 -9.127 -15.253 3.577 1.00 0.00 O ATOM 0 H GLU A 35 -8.837 -13.259 0.569 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.420 -14.388 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.747 -15.221 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.309 -16.222 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.781 -17.124 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.434 -16.389 2.152 1.00 0.00 H new ATOM 492 N GLN A 36 -6.568 -13.805 -1.872 1.00 0.00 N ATOM 493 CA GLN A 36 -5.749 -13.621 -3.065 1.00 0.00 C ATOM 494 C GLN A 36 -5.033 -12.275 -3.031 1.00 0.00 C ATOM 495 O GLN A 36 -3.808 -12.210 -3.139 1.00 0.00 O ATOM 496 CB GLN A 36 -6.614 -13.721 -4.323 1.00 0.00 C ATOM 497 CG GLN A 36 -6.854 -15.149 -4.784 1.00 0.00 C ATOM 498 CD GLN A 36 -5.570 -15.945 -4.912 1.00 0.00 C ATOM 499 OE1 GLN A 36 -4.495 -15.382 -5.122 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.674 -17.263 -4.784 1.00 0.00 N ATOM 0 H GLN A 36 -7.570 -13.694 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.998 -14.411 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.575 -13.243 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.135 -13.164 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.517 -15.648 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.366 -15.135 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.585 -17.688 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.843 -17.850 -4.859 1.00 0.00 H new ATOM 509 N ILE A 37 -5.805 -11.204 -2.880 1.00 0.00 N ATOM 510 CA ILE A 37 -5.243 -9.860 -2.832 1.00 0.00 C ATOM 511 C ILE A 37 -3.937 -9.838 -2.045 1.00 0.00 C ATOM 512 O ILE A 37 -2.917 -9.344 -2.528 1.00 0.00 O ATOM 513 CB ILE A 37 -6.229 -8.861 -2.197 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.525 -8.805 -3.007 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.597 -7.480 -2.104 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.657 -8.105 -2.289 1.00 0.00 C ATOM 0 H ILE A 37 -6.820 -11.241 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.048 -9.562 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.467 -9.200 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.333 -8.294 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.834 -9.821 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.306 -6.785 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.699 -7.532 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.333 -7.132 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.544 -8.103 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.877 -8.629 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.367 -7.078 -2.067 1.00 0.00 H new ATOM 528 N LEU A 38 -3.975 -10.377 -0.832 1.00 0.00 N ATOM 529 CA LEU A 38 -2.793 -10.421 0.023 1.00 0.00 C ATOM 530 C LEU A 38 -1.599 -11.000 -0.729 1.00 0.00 C ATOM 531 O LEU A 38 -0.588 -10.326 -0.921 1.00 0.00 O ATOM 532 CB LEU A 38 -3.075 -11.255 1.274 1.00 0.00 C ATOM 533 CG LEU A 38 -3.790 -10.532 2.416 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.242 -11.523 3.476 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.883 -9.472 3.026 1.00 0.00 C ATOM 0 H LEU A 38 -4.811 -10.790 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.552 -9.401 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.676 -12.117 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.127 -11.640 1.651 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.673 -10.038 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.749 -10.990 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.927 -12.244 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.375 -12.047 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.408 -8.967 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.982 -9.945 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.609 -8.744 2.262 1.00 0.00 H new ATOM 547 N ALA A 39 -1.724 -12.253 -1.154 1.00 0.00 N ATOM 548 CA ALA A 39 -0.657 -12.921 -1.889 1.00 0.00 C ATOM 549 C ALA A 39 0.025 -11.962 -2.859 1.00 0.00 C ATOM 550 O ALA A 39 1.241 -11.779 -2.812 1.00 0.00 O ATOM 551 CB ALA A 39 -1.206 -14.128 -2.635 1.00 0.00 C ATOM 0 H ALA A 39 -2.554 -12.826 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 39 0.089 -13.260 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.398 -14.617 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.640 -14.829 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.973 -13.803 -3.338 1.00 0.00 H new ATOM 557 N GLU A 40 -0.766 -11.355 -3.738 1.00 0.00 N ATOM 558 CA GLU A 40 -0.237 -10.416 -4.720 1.00 0.00 C ATOM 559 C GLU A 40 0.561 -9.307 -4.038 1.00 0.00 C ATOM 560 O GLU A 40 1.662 -8.965 -4.468 1.00 0.00 O ATOM 561 CB GLU A 40 -1.374 -9.809 -5.543 1.00 0.00 C ATOM 562 CG GLU A 40 -1.926 -10.746 -6.604 1.00 0.00 C ATOM 563 CD GLU A 40 -1.001 -10.883 -7.798 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.081 -10.035 -8.711 1.00 0.00 O ATOM 565 OE2 GLU A 40 -0.198 -11.840 -7.820 1.00 0.00 O ATOM 0 H GLU A 40 -1.775 -11.497 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 40 0.430 -10.964 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.182 -9.518 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.017 -8.899 -6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.094 -11.729 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.895 -10.378 -6.940 1.00 0.00 H new ATOM 572 N PHE A 41 -0.005 -8.750 -2.973 1.00 0.00 N ATOM 573 CA PHE A 41 0.651 -7.679 -2.232 1.00 0.00 C ATOM 574 C PHE A 41 2.003 -8.139 -1.693 1.00 0.00 C ATOM 575 O PHE A 41 2.945 -7.353 -1.595 1.00 0.00 O ATOM 576 CB PHE A 41 -0.237 -7.210 -1.078 1.00 0.00 C ATOM 577 CG PHE A 41 0.533 -6.633 0.076 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.930 -5.305 0.066 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.860 -7.418 1.169 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.639 -4.771 1.126 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.568 -6.890 2.232 1.00 0.00 C ATOM 582 CZ PHE A 41 1.959 -5.565 2.210 1.00 0.00 C ATOM 0 H PHE A 41 -0.916 -9.022 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 41 0.816 -6.847 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.935 -6.460 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.832 -8.051 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.683 -4.680 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.558 -8.455 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.942 -3.735 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.815 -7.513 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.514 -5.151 3.039 1.00 0.00 H new ATOM 592 N LYS A 42 2.090 -9.418 -1.345 1.00 0.00 N ATOM 593 CA LYS A 42 3.325 -9.985 -0.817 1.00 0.00 C ATOM 594 C LYS A 42 4.391 -10.074 -1.904 1.00 0.00 C ATOM 595 O LYS A 42 5.516 -9.607 -1.724 1.00 0.00 O ATOM 596 CB LYS A 42 3.063 -11.375 -0.231 1.00 0.00 C ATOM 597 CG LYS A 42 2.411 -11.343 1.141 1.00 0.00 C ATOM 598 CD LYS A 42 1.662 -12.632 1.432 1.00 0.00 C ATOM 599 CE LYS A 42 0.801 -12.506 2.679 1.00 0.00 C ATOM 600 NZ LYS A 42 1.609 -12.146 3.877 1.00 0.00 N ATOM 0 H LYS A 42 1.319 -10.082 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 42 3.689 -9.327 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.424 -11.934 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.007 -11.915 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.173 -11.184 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.722 -10.500 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.034 -12.890 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.374 -13.447 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.035 -11.748 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.284 -13.448 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.022 -12.235 4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.426 -12.786 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.944 -11.166 3.788 1.00 0.00 H new ATOM 614 N VAL A 43 4.031 -10.675 -3.034 1.00 0.00 N ATOM 615 CA VAL A 43 4.956 -10.822 -4.151 1.00 0.00 C ATOM 616 C VAL A 43 5.352 -9.464 -4.719 1.00 0.00 C ATOM 617 O VAL A 43 6.531 -9.199 -4.957 1.00 0.00 O ATOM 618 CB VAL A 43 4.345 -11.679 -5.276 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.197 -13.124 -4.827 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.005 -11.107 -5.712 1.00 0.00 C ATOM 0 H VAL A 43 3.104 -11.068 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 43 5.843 -11.323 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 43 5.019 -11.658 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.764 -13.714 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.176 -13.527 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.545 -13.169 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.587 -11.724 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.321 -11.096 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.145 -10.090 -6.078 1.00 0.00 H new ATOM 630 N ARG A 44 4.360 -8.606 -4.934 1.00 0.00 N ATOM 631 CA ARG A 44 4.605 -7.275 -5.474 1.00 0.00 C ATOM 632 C ARG A 44 5.452 -6.445 -4.514 1.00 0.00 C ATOM 633 O ARG A 44 6.326 -5.689 -4.936 1.00 0.00 O ATOM 634 CB ARG A 44 3.280 -6.561 -5.749 1.00 0.00 C ATOM 635 CG ARG A 44 2.443 -7.225 -6.831 1.00 0.00 C ATOM 636 CD ARG A 44 1.216 -6.395 -7.174 1.00 0.00 C ATOM 637 NE ARG A 44 1.484 -5.436 -8.242 1.00 0.00 N ATOM 638 CZ ARG A 44 1.933 -4.204 -8.028 1.00 0.00 C ATOM 639 NH1 ARG A 44 2.162 -3.784 -6.791 1.00 0.00 N ATOM 640 NH2 ARG A 44 2.153 -3.389 -9.051 1.00 0.00 N ATOM 0 H ARG A 44 3.379 -8.809 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 44 5.152 -7.386 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.700 -6.521 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.486 -5.531 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.049 -7.367 -7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.132 -8.215 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.404 -7.056 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.879 -5.862 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 44 1.317 -5.728 -9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.993 -4.407 -6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.507 -2.838 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.977 -3.708 -10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.498 -2.443 -8.885 1.00 0.00 H new ATOM 654 N ALA A 45 5.185 -6.591 -3.220 1.00 0.00 N ATOM 655 CA ALA A 45 5.923 -5.857 -2.200 1.00 0.00 C ATOM 656 C ALA A 45 7.371 -6.329 -2.124 1.00 0.00 C ATOM 657 O ALA A 45 8.296 -5.519 -2.055 1.00 0.00 O ATOM 658 CB ALA A 45 5.245 -6.008 -0.847 1.00 0.00 C ATOM 0 H ALA A 45 4.463 -7.211 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 45 5.926 -4.803 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.807 -5.455 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.230 -5.615 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.212 -7.062 -0.572 1.00 0.00 H new ATOM 664 N LEU A 46 7.561 -7.644 -2.136 1.00 0.00 N ATOM 665 CA LEU A 46 8.898 -8.224 -2.068 1.00 0.00 C ATOM 666 C LEU A 46 9.730 -7.820 -3.281 1.00 0.00 C ATOM 667 O LEU A 46 10.876 -7.395 -3.145 1.00 0.00 O ATOM 668 CB LEU A 46 8.810 -9.749 -1.981 1.00 0.00 C ATOM 669 CG LEU A 46 8.428 -10.322 -0.615 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.194 -11.822 -0.712 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.507 -10.014 0.413 1.00 0.00 C ATOM 0 H LEU A 46 6.807 -8.328 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 46 9.387 -7.842 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.081 -10.093 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.775 -10.166 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 46 7.500 -9.850 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.923 -12.212 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.386 -12.019 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.105 -12.311 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.219 -10.429 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.450 -10.458 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.626 -8.934 0.503 1.00 0.00 H new ATOM 683 N GLU A 47 9.143 -7.955 -4.466 1.00 0.00 N ATOM 684 CA GLU A 47 9.830 -7.602 -5.703 1.00 0.00 C ATOM 685 C GLU A 47 10.309 -6.154 -5.665 1.00 0.00 C ATOM 686 O GLU A 47 11.339 -5.814 -6.248 1.00 0.00 O ATOM 687 CB GLU A 47 8.907 -7.815 -6.904 1.00 0.00 C ATOM 688 CG GLU A 47 8.709 -9.277 -7.268 1.00 0.00 C ATOM 689 CD GLU A 47 7.755 -9.464 -8.432 1.00 0.00 C ATOM 690 OE1 GLU A 47 6.595 -9.011 -8.327 1.00 0.00 O ATOM 691 OE2 GLU A 47 8.167 -10.063 -9.447 1.00 0.00 O ATOM 0 H GLU A 47 8.194 -8.306 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 47 10.700 -8.251 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.936 -7.368 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.317 -7.287 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.673 -9.719 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.328 -9.815 -6.400 1.00 0.00 H new ATOM 698 N CYS A 48 9.554 -5.306 -4.976 1.00 0.00 N ATOM 699 CA CYS A 48 9.899 -3.893 -4.863 1.00 0.00 C ATOM 700 C CYS A 48 10.180 -3.516 -3.412 1.00 0.00 C ATOM 701 O CYS A 48 10.007 -2.364 -3.014 1.00 0.00 O ATOM 702 CB CYS A 48 8.769 -3.024 -5.419 1.00 0.00 C ATOM 703 SG CYS A 48 8.748 -2.907 -7.223 1.00 0.00 S ATOM 0 H CYS A 48 8.699 -5.572 -4.487 1.00 0.00 H new ATOM 0 HA CYS A 48 10.803 -3.718 -5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.815 -3.427 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.857 -2.021 -5.001 1.00 0.00 H new ATOM 0 HG CYS A 48 7.757 -2.154 -7.598 1.00 0.00 H new ATOM 709 N HIS A 49 10.613 -4.496 -2.625 1.00 0.00 N ATOM 710 CA HIS A 49 10.917 -4.268 -1.217 1.00 0.00 C ATOM 711 C HIS A 49 12.068 -3.278 -1.063 1.00 0.00 C ATOM 712 O HIS A 49 13.041 -3.299 -1.818 1.00 0.00 O ATOM 713 CB HIS A 49 11.268 -5.587 -0.529 1.00 0.00 C ATOM 714 CG HIS A 49 10.901 -5.621 0.923 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.826 -5.475 1.936 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.703 -5.784 1.530 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.212 -5.549 3.103 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.922 -5.735 2.885 1.00 0.00 N ATOM 0 H HIS A 49 10.761 -5.455 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 49 10.031 -3.845 -0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.759 -6.402 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.339 -5.766 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.751 -5.926 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.684 -5.471 4.071 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.206 -5.827 3.605 1.00 0.00 H new ATOM 726 N PRO A 50 11.957 -2.391 -0.064 1.00 0.00 N ATOM 727 CA PRO A 50 12.979 -1.377 0.212 1.00 0.00 C ATOM 728 C PRO A 50 14.264 -1.984 0.764 1.00 0.00 C ATOM 729 O PRO A 50 15.363 -1.625 0.342 1.00 0.00 O ATOM 730 CB PRO A 50 12.317 -0.482 1.262 1.00 0.00 C ATOM 731 CG PRO A 50 11.317 -1.360 1.932 1.00 0.00 C ATOM 732 CD PRO A 50 10.825 -2.309 0.874 1.00 0.00 C ATOM 0 HA PRO A 50 13.280 -0.847 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.048 -0.100 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.839 0.382 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.768 -1.902 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.495 -0.773 2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.579 -3.285 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.925 -1.935 0.386 1.00 0.00 H new ATOM 740 N ASP A 51 14.119 -2.907 1.709 1.00 0.00 N ATOM 741 CA ASP A 51 15.268 -3.566 2.317 1.00 0.00 C ATOM 742 C ASP A 51 16.135 -4.236 1.256 1.00 0.00 C ATOM 743 O ASP A 51 17.331 -4.446 1.458 1.00 0.00 O ATOM 744 CB ASP A 51 14.805 -4.600 3.344 1.00 0.00 C ATOM 745 CG ASP A 51 14.509 -3.982 4.696 1.00 0.00 C ATOM 746 OD1 ASP A 51 13.513 -3.236 4.803 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.273 -4.244 5.649 1.00 0.00 O ATOM 0 H ASP A 51 13.216 -3.215 2.070 1.00 0.00 H new ATOM 0 HA ASP A 51 15.866 -2.807 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.911 -5.101 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.574 -5.364 3.458 1.00 0.00 H new ATOM 752 N LYS A 52 15.523 -4.572 0.126 1.00 0.00 N ATOM 753 CA LYS A 52 16.237 -5.219 -0.968 1.00 0.00 C ATOM 754 C LYS A 52 16.922 -4.186 -1.858 1.00 0.00 C ATOM 755 O LYS A 52 18.084 -4.347 -2.232 1.00 0.00 O ATOM 756 CB LYS A 52 15.275 -6.068 -1.802 1.00 0.00 C ATOM 757 CG LYS A 52 14.704 -7.257 -1.049 1.00 0.00 C ATOM 758 CD LYS A 52 15.615 -8.469 -1.147 1.00 0.00 C ATOM 759 CE LYS A 52 14.935 -9.722 -0.619 1.00 0.00 C ATOM 760 NZ LYS A 52 15.605 -10.962 -1.101 1.00 0.00 N ATOM 0 H LYS A 52 14.533 -4.407 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 52 17.001 -5.865 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.454 -5.439 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.796 -6.427 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.562 -6.991 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.722 -7.506 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.907 -8.623 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.529 -8.285 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.941 -9.706 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.891 -9.728 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.112 -11.794 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.577 -10.990 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.594 -10.969 -0.781 1.00 0.00 H new ATOM 774 N HIS A 53 16.194 -3.125 -2.192 1.00 0.00 N ATOM 775 CA HIS A 53 16.733 -2.064 -3.036 1.00 0.00 C ATOM 776 C HIS A 53 16.979 -0.796 -2.224 1.00 0.00 C ATOM 777 O HIS A 53 16.235 0.181 -2.312 1.00 0.00 O ATOM 778 CB HIS A 53 15.775 -1.766 -4.190 1.00 0.00 C ATOM 779 CG HIS A 53 15.821 -2.788 -5.285 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.518 -2.601 -6.460 1.00 0.00 N ATOM 781 CD2 HIS A 53 15.251 -4.012 -5.378 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.375 -3.666 -7.229 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.610 -4.537 -6.595 1.00 0.00 N ATOM 0 H HIS A 53 15.231 -2.977 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 53 17.685 -2.405 -3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.758 -1.707 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.014 -0.788 -4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.629 -4.487 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.809 -3.801 -8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.331 -5.451 -6.952 1.00 0.00 H new ATOM 791 N PRO A 54 18.048 -0.810 -1.413 1.00 0.00 N ATOM 792 CA PRO A 54 18.417 0.330 -0.570 1.00 0.00 C ATOM 793 C PRO A 54 18.929 1.513 -1.385 1.00 0.00 C ATOM 794 O PRO A 54 18.967 2.642 -0.900 1.00 0.00 O ATOM 795 CB PRO A 54 19.531 -0.230 0.317 1.00 0.00 C ATOM 796 CG PRO A 54 20.116 -1.351 -0.472 1.00 0.00 C ATOM 797 CD PRO A 54 18.978 -1.941 -1.258 1.00 0.00 C ATOM 0 HA PRO A 54 17.564 0.717 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.280 0.530 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.139 -0.580 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.904 -0.993 -1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.566 -2.097 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.311 -2.322 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.514 -2.774 -0.730 1.00 0.00 H new ATOM 805 N GLU A 55 19.320 1.244 -2.627 1.00 0.00 N ATOM 806 CA GLU A 55 19.830 2.287 -3.509 1.00 0.00 C ATOM 807 C GLU A 55 18.685 3.052 -4.167 1.00 0.00 C ATOM 808 O GLU A 55 18.803 4.243 -4.451 1.00 0.00 O ATOM 809 CB GLU A 55 20.736 1.680 -4.583 1.00 0.00 C ATOM 810 CG GLU A 55 21.340 2.710 -5.523 1.00 0.00 C ATOM 811 CD GLU A 55 21.682 2.131 -6.882 1.00 0.00 C ATOM 812 OE1 GLU A 55 20.752 1.694 -7.592 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.879 2.115 -7.235 1.00 0.00 O ATOM 0 H GLU A 55 19.293 0.314 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 55 20.411 2.985 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.541 1.127 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.162 0.960 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.639 3.535 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.242 3.124 -5.071 1.00 0.00 H new ATOM 820 N ASN A 56 17.578 2.357 -4.406 1.00 0.00 N ATOM 821 CA ASN A 56 16.411 2.969 -5.031 1.00 0.00 C ATOM 822 C ASN A 56 15.359 3.327 -3.985 1.00 0.00 C ATOM 823 O ASN A 56 14.845 2.469 -3.267 1.00 0.00 O ATOM 824 CB ASN A 56 15.810 2.025 -6.073 1.00 0.00 C ATOM 825 CG ASN A 56 14.898 2.744 -7.048 1.00 0.00 C ATOM 826 OD1 ASN A 56 15.049 3.942 -7.288 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.945 2.014 -7.615 1.00 0.00 N ATOM 0 H ASN A 56 17.464 1.370 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 56 16.733 3.886 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.614 1.538 -6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.249 1.240 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.301 2.443 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.857 1.024 -7.386 1.00 0.00 H new ATOM 834 N PRO A 57 15.029 4.624 -3.897 1.00 0.00 N ATOM 835 CA PRO A 57 14.035 5.125 -2.944 1.00 0.00 C ATOM 836 C PRO A 57 12.618 4.689 -3.301 1.00 0.00 C ATOM 837 O PRO A 57 11.781 4.483 -2.422 1.00 0.00 O ATOM 838 CB PRO A 57 14.170 6.646 -3.056 1.00 0.00 C ATOM 839 CG PRO A 57 14.713 6.878 -4.424 1.00 0.00 C ATOM 840 CD PRO A 57 15.602 5.702 -4.722 1.00 0.00 C ATOM 0 HA PRO A 57 14.206 4.741 -1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.207 7.140 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.839 7.041 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.908 6.954 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.273 7.812 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.590 5.447 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.639 5.904 -4.455 1.00 0.00 H new ATOM 848 N LYS A 58 12.356 4.549 -4.596 1.00 0.00 N ATOM 849 CA LYS A 58 11.041 4.135 -5.070 1.00 0.00 C ATOM 850 C LYS A 58 10.559 2.894 -4.325 1.00 0.00 C ATOM 851 O LYS A 58 9.470 2.887 -3.753 1.00 0.00 O ATOM 852 CB LYS A 58 11.083 3.855 -6.574 1.00 0.00 C ATOM 853 CG LYS A 58 11.592 5.027 -7.397 1.00 0.00 C ATOM 854 CD LYS A 58 10.489 6.034 -7.674 1.00 0.00 C ATOM 855 CE LYS A 58 10.891 7.015 -8.765 1.00 0.00 C ATOM 856 NZ LYS A 58 10.763 6.417 -10.123 1.00 0.00 N ATOM 0 H LYS A 58 13.037 4.716 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 58 10.341 4.948 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.720 2.990 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.082 3.591 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.409 5.517 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.998 4.661 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.582 5.509 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.256 6.580 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.267 7.906 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.921 7.335 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.014 7.127 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.403 5.601 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.783 6.104 -10.274 1.00 0.00 H new ATOM 870 N ALA A 59 11.379 1.848 -4.336 1.00 0.00 N ATOM 871 CA ALA A 59 11.037 0.604 -3.658 1.00 0.00 C ATOM 872 C ALA A 59 10.297 0.875 -2.352 1.00 0.00 C ATOM 873 O ALA A 59 9.318 0.202 -2.031 1.00 0.00 O ATOM 874 CB ALA A 59 12.292 -0.216 -3.395 1.00 0.00 C ATOM 0 H ALA A 59 12.284 1.838 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 59 10.374 0.035 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.022 -1.142 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.779 -0.449 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.975 0.356 -2.766 1.00 0.00 H new ATOM 880 N VAL A 60 10.772 1.864 -1.602 1.00 0.00 N ATOM 881 CA VAL A 60 10.155 2.224 -0.331 1.00 0.00 C ATOM 882 C VAL A 60 8.759 2.800 -0.542 1.00 0.00 C ATOM 883 O VAL A 60 7.824 2.463 0.183 1.00 0.00 O ATOM 884 CB VAL A 60 11.011 3.249 0.437 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.368 3.585 1.774 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.424 2.722 0.633 1.00 0.00 C ATOM 0 H VAL A 60 11.582 2.430 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 60 10.082 1.309 0.257 1.00 0.00 H new ATOM 0 HB VAL A 60 11.068 4.164 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.986 4.310 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.377 4.007 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.279 2.679 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.015 3.459 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.390 1.793 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.881 2.536 -0.339 1.00 0.00 H new ATOM 896 N GLU A 61 8.628 3.669 -1.539 1.00 0.00 N ATOM 897 CA GLU A 61 7.345 4.291 -1.845 1.00 0.00 C ATOM 898 C GLU A 61 6.344 3.256 -2.350 1.00 0.00 C ATOM 899 O GLU A 61 5.172 3.271 -1.973 1.00 0.00 O ATOM 900 CB GLU A 61 7.524 5.395 -2.888 1.00 0.00 C ATOM 901 CG GLU A 61 7.914 6.738 -2.293 1.00 0.00 C ATOM 902 CD GLU A 61 6.738 7.464 -1.670 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.051 6.858 -0.820 1.00 0.00 O ATOM 904 OE2 GLU A 61 6.504 8.636 -2.031 1.00 0.00 O ATOM 0 H GLU A 61 9.393 3.958 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 61 6.955 4.729 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.288 5.088 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.595 5.510 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.684 6.586 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.351 7.363 -3.072 1.00 0.00 H new ATOM 911 N THR A 62 6.815 2.356 -3.208 1.00 0.00 N ATOM 912 CA THR A 62 5.963 1.314 -3.768 1.00 0.00 C ATOM 913 C THR A 62 5.464 0.369 -2.680 1.00 0.00 C ATOM 914 O THR A 62 4.320 -0.083 -2.715 1.00 0.00 O ATOM 915 CB THR A 62 6.707 0.496 -4.841 1.00 0.00 C ATOM 916 OG1 THR A 62 7.382 1.376 -5.746 1.00 0.00 O ATOM 917 CG2 THR A 62 5.741 -0.390 -5.612 1.00 0.00 C ATOM 0 H THR A 62 7.782 2.328 -3.530 1.00 0.00 H new ATOM 0 HA THR A 62 5.112 1.815 -4.229 1.00 0.00 H new ATOM 0 HB THR A 62 7.437 -0.140 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.854 0.849 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.289 -0.958 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.250 -1.078 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.990 0.230 -6.102 1.00 0.00 H new ATOM 925 N PHE A 63 6.329 0.075 -1.715 1.00 0.00 N ATOM 926 CA PHE A 63 5.975 -0.816 -0.617 1.00 0.00 C ATOM 927 C PHE A 63 5.075 -0.108 0.390 1.00 0.00 C ATOM 928 O PHE A 63 4.159 -0.710 0.950 1.00 0.00 O ATOM 929 CB PHE A 63 7.238 -1.326 0.081 1.00 0.00 C ATOM 930 CG PHE A 63 6.955 -2.190 1.277 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.296 -3.400 1.133 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.346 -1.791 2.544 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.034 -4.197 2.232 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.088 -2.584 3.646 1.00 0.00 C ATOM 935 CZ PHE A 63 6.429 -3.788 3.490 1.00 0.00 C ATOM 0 H PHE A 63 7.280 0.441 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 63 5.429 -1.664 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.835 -1.893 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.840 -0.473 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.983 -3.724 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.859 -0.849 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.521 -5.139 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.401 -2.263 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.223 -4.408 4.350 1.00 0.00 H new ATOM 945 N GLN A 64 5.342 1.174 0.615 1.00 0.00 N ATOM 946 CA GLN A 64 4.557 1.965 1.556 1.00 0.00 C ATOM 947 C GLN A 64 3.112 2.093 1.086 1.00 0.00 C ATOM 948 O GLN A 64 2.178 1.995 1.881 1.00 0.00 O ATOM 949 CB GLN A 64 5.175 3.353 1.728 1.00 0.00 C ATOM 950 CG GLN A 64 6.330 3.387 2.715 1.00 0.00 C ATOM 951 CD GLN A 64 5.867 3.552 4.150 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.018 2.801 4.630 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.425 4.538 4.842 1.00 0.00 N ATOM 0 H GLN A 64 6.096 1.688 0.159 1.00 0.00 H new ATOM 0 HA GLN A 64 4.563 1.451 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.526 3.708 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.403 4.047 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.906 2.466 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.000 4.207 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.125 5.136 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.154 4.697 5.812 1.00 0.00 H new ATOM 962 N LYS A 65 2.935 2.313 -0.213 1.00 0.00 N ATOM 963 CA LYS A 65 1.603 2.454 -0.791 1.00 0.00 C ATOM 964 C LYS A 65 0.912 1.099 -0.901 1.00 0.00 C ATOM 965 O LYS A 65 -0.316 1.019 -0.945 1.00 0.00 O ATOM 966 CB LYS A 65 1.691 3.108 -2.172 1.00 0.00 C ATOM 967 CG LYS A 65 1.923 2.117 -3.300 1.00 0.00 C ATOM 968 CD LYS A 65 2.407 2.813 -4.561 1.00 0.00 C ATOM 969 CE LYS A 65 2.644 1.820 -5.689 1.00 0.00 C ATOM 970 NZ LYS A 65 3.161 2.487 -6.916 1.00 0.00 N ATOM 0 H LYS A 65 3.697 2.398 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 65 1.013 3.090 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.769 3.656 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.501 3.838 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.657 1.374 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.998 1.581 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.671 3.553 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.330 3.352 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.355 1.061 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.712 1.305 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.309 1.777 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.472 3.194 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.063 2.957 -6.701 1.00 0.00 H new ATOM 984 N LEU A 66 1.707 0.036 -0.945 1.00 0.00 N ATOM 985 CA LEU A 66 1.172 -1.317 -1.049 1.00 0.00 C ATOM 986 C LEU A 66 0.576 -1.770 0.281 1.00 0.00 C ATOM 987 O LEU A 66 -0.520 -2.328 0.322 1.00 0.00 O ATOM 988 CB LEU A 66 2.268 -2.289 -1.487 1.00 0.00 C ATOM 989 CG LEU A 66 2.426 -2.488 -2.995 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.631 -3.365 -3.295 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.162 -3.095 -3.587 1.00 0.00 C ATOM 0 H LEU A 66 2.725 0.085 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 66 0.381 -1.311 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.219 -1.938 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.069 -3.259 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 66 2.589 -1.514 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.727 -3.495 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.532 -2.891 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.499 -4.338 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.292 -3.230 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.969 -4.061 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.319 -2.429 -3.404 1.00 0.00 H new ATOM 1003 N GLN A 67 1.305 -1.525 1.364 1.00 0.00 N ATOM 1004 CA GLN A 67 0.848 -1.907 2.695 1.00 0.00 C ATOM 1005 C GLN A 67 -0.442 -1.178 3.057 1.00 0.00 C ATOM 1006 O GLN A 67 -1.205 -1.630 3.910 1.00 0.00 O ATOM 1007 CB GLN A 67 1.928 -1.604 3.735 1.00 0.00 C ATOM 1008 CG GLN A 67 2.100 -0.121 4.019 1.00 0.00 C ATOM 1009 CD GLN A 67 2.576 0.151 5.433 1.00 0.00 C ATOM 1010 OE1 GLN A 67 1.807 0.598 6.284 1.00 0.00 O ATOM 1011 NE2 GLN A 67 3.851 -0.118 5.690 1.00 0.00 N ATOM 0 H GLN A 67 2.215 -1.064 1.346 1.00 0.00 H new ATOM 0 HA GLN A 67 0.650 -2.979 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.680 -2.117 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.878 -2.012 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.815 0.300 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.151 0.389 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.453 -0.488 4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.228 0.045 6.623 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.679 -0.045 2.404 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.877 0.747 2.655 1.00 0.00 C ATOM 1022 C LYS A 68 -3.068 0.194 1.879 1.00 0.00 C ATOM 1023 O LYS A 68 -3.995 -0.367 2.463 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.637 2.208 2.268 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.592 3.180 2.940 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.163 3.490 4.364 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.344 3.915 5.222 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.006 3.910 6.673 1.00 0.00 N ATOM 0 H LYS A 68 -0.057 0.345 1.696 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.102 0.691 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.614 2.480 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.730 2.309 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.637 4.104 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.597 2.758 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.691 2.611 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.415 4.282 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.666 4.914 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.184 3.244 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.837 4.205 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.723 2.951 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.222 4.570 6.849 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.036 0.355 0.561 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.112 -0.131 -0.295 1.00 0.00 C ATOM 1044 C ALA A 69 -4.584 -1.511 0.149 1.00 0.00 C ATOM 1045 O ALA A 69 -5.785 -1.776 0.217 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.656 -0.168 -1.746 1.00 0.00 C ATOM 0 H ALA A 69 -2.277 0.818 0.062 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.953 0.557 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.469 -0.533 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.374 0.836 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.798 -0.833 -1.841 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.633 -2.389 0.449 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.951 -3.743 0.887 1.00 0.00 C ATOM 1054 C LYS A 70 -4.721 -3.722 2.204 1.00 0.00 C ATOM 1055 O LYS A 70 -5.793 -4.316 2.315 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.669 -4.564 1.047 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.890 -5.914 1.707 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.673 -6.350 2.505 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.725 -5.826 3.932 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.604 -6.354 4.758 1.00 0.00 N ATOM 0 H LYS A 70 -2.635 -2.187 0.397 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.579 -4.206 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.221 -4.718 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.953 -3.993 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.758 -5.861 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.113 -6.661 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.616 -7.438 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.768 -5.989 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.686 -4.737 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.675 -6.106 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.309 -5.631 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.918 -7.206 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.199 -6.594 4.141 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.168 -3.033 3.197 1.00 0.00 N ATOM 1075 CA GLU A 71 -4.805 -2.936 4.505 1.00 0.00 C ATOM 1076 C GLU A 71 -6.235 -2.417 4.377 1.00 0.00 C ATOM 1077 O GLU A 71 -7.111 -2.780 5.162 1.00 0.00 O ATOM 1078 CB GLU A 71 -3.998 -2.016 5.423 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.243 -2.263 6.902 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.033 -1.938 7.756 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.371 -0.915 7.483 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -2.750 -2.707 8.699 1.00 0.00 O ATOM 0 H GLU A 71 -3.281 -2.534 3.121 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.837 -3.935 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.937 -2.147 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.243 -0.980 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.089 -1.660 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.519 -3.307 7.051 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.461 -1.565 3.383 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.784 -0.996 3.151 1.00 0.00 C ATOM 1091 C ILE A 72 -8.761 -2.060 2.662 1.00 0.00 C ATOM 1092 O ILE A 72 -9.912 -2.109 3.099 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.732 0.149 2.123 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.770 1.242 2.593 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.123 0.721 1.897 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.266 2.004 3.802 1.00 0.00 C ATOM 0 H ILE A 72 -5.746 -1.253 2.726 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.130 -0.600 4.106 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.366 -0.248 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.806 0.790 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.602 1.943 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.070 1.529 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.782 -0.062 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.515 1.106 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.534 2.762 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.215 2.485 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.407 1.314 4.634 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.296 -2.910 1.754 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.128 -3.975 1.206 1.00 0.00 C ATOM 1110 C LEU A 73 -9.310 -5.101 2.220 1.00 0.00 C ATOM 1111 O LEU A 73 -10.434 -5.505 2.521 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.506 -4.526 -0.078 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.290 -3.517 -1.206 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.461 -4.133 -2.323 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.625 -3.022 -1.742 1.00 0.00 C ATOM 0 H LEU A 73 -7.347 -2.883 1.381 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.107 -3.555 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.544 -4.974 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.143 -5.328 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.743 -2.664 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.318 -3.400 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.491 -4.437 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.980 -5.004 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.452 -2.305 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.198 -3.866 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.183 -2.541 -0.939 1.00 0.00 H new ATOM 1127 N THR A 74 -8.197 -5.602 2.745 1.00 0.00 N ATOM 1128 CA THR A 74 -8.233 -6.680 3.726 1.00 0.00 C ATOM 1129 C THR A 74 -9.370 -6.480 4.721 1.00 0.00 C ATOM 1130 O THR A 74 -10.026 -7.437 5.129 1.00 0.00 O ATOM 1131 CB THR A 74 -6.904 -6.783 4.497 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.542 -5.501 5.023 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.793 -7.298 3.594 1.00 0.00 C ATOM 0 H THR A 74 -7.259 -5.279 2.508 1.00 0.00 H new ATOM 0 HA THR A 74 -8.396 -7.605 3.173 1.00 0.00 H new ATOM 0 HB THR A 74 -7.039 -7.487 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.182 -4.827 4.711 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.864 -7.362 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.058 -8.286 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.660 -6.615 2.755 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.599 -5.229 5.108 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.658 -4.903 6.056 1.00 0.00 C ATOM 1143 C ASN A 75 -11.921 -4.455 5.328 1.00 0.00 C ATOM 1144 O ASN A 75 -11.859 -3.663 4.387 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.192 -3.806 7.016 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.311 -4.345 8.126 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.376 -5.526 8.467 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.482 -3.478 8.696 1.00 0.00 N ATOM 0 H ASN A 75 -9.065 -4.424 4.779 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.889 -5.802 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.644 -3.047 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.062 -3.315 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.865 -3.782 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.462 -2.508 8.381 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.066 -4.966 5.770 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.344 -4.618 5.159 1.00 0.00 C ATOM 1157 C GLU A 76 -14.703 -3.162 5.442 1.00 0.00 C ATOM 1158 O GLU A 76 -15.090 -2.422 4.539 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.450 -5.538 5.680 1.00 0.00 C ATOM 1160 CG GLU A 76 -16.791 -5.324 4.997 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.850 -5.950 3.617 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.216 -5.404 2.690 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -17.530 -6.986 3.466 1.00 0.00 O ATOM 0 H GLU A 76 -13.135 -5.622 6.548 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.250 -4.748 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.143 -6.575 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.568 -5.380 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.582 -5.746 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.986 -4.255 4.915 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.571 -2.760 6.702 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.884 -1.393 7.104 1.00 0.00 C ATOM 1172 C GLU A 77 -14.284 -0.388 6.125 1.00 0.00 C ATOM 1173 O GLU A 77 -14.984 0.480 5.603 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.360 -1.121 8.516 1.00 0.00 C ATOM 1175 CG GLU A 77 -12.847 -1.201 8.630 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.372 -1.236 10.070 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -13.134 -1.715 10.935 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -11.237 -0.784 10.330 1.00 0.00 O ATOM 0 H GLU A 77 -14.250 -3.360 7.461 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.968 -1.278 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.688 -0.130 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.806 -1.839 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.494 -2.093 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.402 -0.343 8.125 1.00 0.00 H new ATOM 1185 N SER A 78 -12.983 -0.512 5.881 1.00 0.00 N ATOM 1186 CA SER A 78 -12.288 0.388 4.968 1.00 0.00 C ATOM 1187 C SER A 78 -12.648 0.077 3.519 1.00 0.00 C ATOM 1188 O SER A 78 -12.933 0.979 2.731 1.00 0.00 O ATOM 1189 CB SER A 78 -10.775 0.278 5.165 1.00 0.00 C ATOM 1190 OG SER A 78 -10.126 1.488 4.814 1.00 0.00 O ATOM 0 H SER A 78 -12.389 -1.226 6.303 1.00 0.00 H new ATOM 0 HA SER A 78 -12.604 1.407 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.557 0.033 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.384 -0.538 4.557 1.00 0.00 H new ATOM 0 HG SER A 78 -10.717 2.023 4.245 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.633 -1.207 3.175 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.956 -1.638 1.820 1.00 0.00 C ATOM 1198 C ARG A 79 -14.246 -0.983 1.334 1.00 0.00 C ATOM 1199 O ARG A 79 -14.322 -0.504 0.203 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.093 -3.161 1.766 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.531 -3.686 0.409 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.338 -3.988 -0.483 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.712 -4.788 -1.646 1.00 0.00 N ATOM 1204 CZ ARG A 79 -13.138 -6.044 -1.568 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.243 -6.640 -0.389 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -13.460 -6.706 -2.672 1.00 0.00 N ATOM 0 H ARG A 79 -12.401 -1.966 3.815 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.142 -1.329 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.137 -3.613 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.814 -3.479 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.125 -4.590 0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.173 -2.951 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.889 -3.052 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.580 -4.518 0.093 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.642 -4.359 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.996 -6.134 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.570 -7.604 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.381 -6.251 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.787 -7.670 -2.611 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.257 -0.967 2.197 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.542 -0.370 1.856 1.00 0.00 C ATOM 1222 C ALA A 80 -16.422 1.143 1.705 1.00 0.00 C ATOM 1223 O ALA A 80 -16.851 1.712 0.702 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.581 -0.716 2.912 1.00 0.00 C ATOM 0 H ALA A 80 -15.211 -1.361 3.137 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.862 -0.780 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.536 -0.264 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.695 -1.798 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.257 -0.334 3.880 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.836 1.788 2.708 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.661 3.235 2.687 1.00 0.00 C ATOM 1232 C ARG A 81 -14.974 3.681 1.400 1.00 0.00 C ATOM 1233 O ARG A 81 -15.426 4.614 0.734 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.844 3.689 3.898 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.594 3.579 5.215 1.00 0.00 C ATOM 1236 CD ARG A 81 -14.670 3.800 6.403 1.00 0.00 C ATOM 1237 NE ARG A 81 -15.319 3.477 7.670 1.00 0.00 N ATOM 1238 CZ ARG A 81 -16.217 4.261 8.257 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -16.569 5.408 7.694 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -16.764 3.897 9.410 1.00 0.00 N ATOM 0 H ARG A 81 -15.474 1.331 3.545 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.648 3.696 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.934 3.091 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.536 4.724 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.400 4.312 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.056 2.595 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.777 3.186 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.342 4.839 6.419 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.069 2.601 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.150 5.691 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.259 6.008 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.495 3.015 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.453 4.499 9.860 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.881 3.010 1.056 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.130 3.339 -0.150 1.00 0.00 C ATOM 1256 C TYR A 82 -14.041 3.353 -1.373 1.00 0.00 C ATOM 1257 O TYR A 82 -14.005 4.283 -2.178 1.00 0.00 O ATOM 1258 CB TYR A 82 -11.993 2.337 -0.357 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.254 2.521 -1.663 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.722 3.756 -2.014 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.088 1.462 -2.546 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.046 3.930 -3.206 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.412 1.626 -3.740 1.00 0.00 C ATOM 1264 CZ TYR A 82 -9.893 2.862 -4.066 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.221 3.030 -5.254 1.00 0.00 O ATOM 0 H TYR A 82 -13.495 2.235 1.595 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.708 4.336 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.285 2.428 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.399 1.326 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.839 4.594 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.494 0.493 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.639 4.897 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.291 0.791 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.201 2.180 -5.742 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.858 2.314 -1.505 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.782 2.205 -2.628 1.00 0.00 C ATOM 1277 C ASP A 83 -16.779 3.359 -2.625 1.00 0.00 C ATOM 1278 O ASP A 83 -16.951 4.047 -3.632 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.527 0.870 -2.575 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.587 -0.318 -2.565 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -14.447 -0.177 -3.056 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -15.990 -1.391 -2.068 1.00 0.00 O ATOM 0 H ASP A 83 -14.899 1.535 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.202 2.252 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.153 0.842 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.193 0.795 -3.434 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.435 3.565 -1.488 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.416 4.637 -1.354 1.00 0.00 C ATOM 1289 C HIS A 84 -17.798 5.986 -1.706 1.00 0.00 C ATOM 1290 O HIS A 84 -18.482 6.884 -2.198 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.973 4.673 0.069 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.716 5.932 0.390 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.686 6.464 -0.434 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.630 6.765 1.453 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.162 7.571 0.108 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.538 7.776 1.254 1.00 0.00 N ATOM 0 H HIS A 84 -17.306 3.004 -0.646 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.231 4.439 -2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.639 3.822 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.151 4.556 0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.970 6.655 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -21.931 8.201 -0.314 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.704 8.558 1.888 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.502 6.123 -1.449 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.792 7.364 -1.737 1.00 0.00 C ATOM 1306 C TRP A 85 -15.599 7.543 -3.239 1.00 0.00 C ATOM 1307 O TRP A 85 -15.650 8.662 -3.751 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.436 7.376 -1.031 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.577 8.543 -1.413 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.488 9.742 -0.765 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.689 8.623 -2.533 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.598 10.563 -1.414 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.093 9.899 -2.501 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.337 7.741 -3.558 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.167 10.312 -3.456 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.418 8.152 -4.504 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.841 9.427 -4.448 1.00 0.00 C ATOM 0 H TRP A 85 -15.921 5.390 -1.042 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.394 8.193 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.596 7.390 0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.906 6.452 -1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.037 10.006 0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.353 11.512 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.776 6.755 -3.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.722 11.295 -3.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.140 7.478 -5.301 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.125 9.718 -5.202 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.377 6.436 -3.940 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.174 6.472 -5.383 1.00 0.00 C ATOM 1330 C ARG A 86 -16.404 7.035 -6.090 1.00 0.00 C ATOM 1331 O ARG A 86 -16.333 8.074 -6.747 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.866 5.070 -5.912 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.417 4.653 -5.720 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.205 3.192 -6.087 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.427 2.948 -7.510 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.696 1.749 -8.016 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -13.777 0.692 -7.220 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.886 1.607 -9.322 1.00 0.00 N ATOM 0 H ARG A 86 -15.333 5.502 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.326 7.125 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.512 4.351 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.110 5.029 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.772 5.281 -6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.125 4.815 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.190 2.895 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.882 2.569 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.373 3.741 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.633 0.798 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.984 -0.227 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.826 2.418 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.092 0.687 -9.710 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.529 6.342 -5.951 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.773 6.772 -6.578 1.00 0.00 C ATOM 1354 C ARG A 87 -19.036 8.250 -6.308 1.00 0.00 C ATOM 1355 O ARG A 87 -19.663 8.937 -7.115 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.945 5.933 -6.063 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.456 6.372 -4.701 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.544 5.442 -4.188 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.818 5.663 -4.866 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.141 5.101 -6.026 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.287 4.288 -6.632 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.320 5.352 -6.581 1.00 0.00 N ATOM 0 H ARG A 87 -17.605 5.481 -5.410 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.676 6.628 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.762 5.986 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.636 4.889 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.629 6.393 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.846 7.388 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.233 4.407 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.673 5.592 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.497 6.283 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.380 4.093 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -22.537 3.858 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.979 5.977 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.567 4.920 -7.471 1.00 0.00 H new ATOM 1376 N SER A 88 -18.551 8.734 -5.169 1.00 0.00 N ATOM 1377 CA SER A 88 -18.737 10.130 -4.791 1.00 0.00 C ATOM 1378 C SER A 88 -17.693 11.018 -5.461 1.00 0.00 C ATOM 1379 O SER A 88 -17.951 12.187 -5.749 1.00 0.00 O ATOM 1380 CB SER A 88 -18.654 10.284 -3.271 1.00 0.00 C ATOM 1381 OG SER A 88 -19.855 9.862 -2.649 1.00 0.00 O ATOM 0 H SER A 88 -18.026 8.180 -4.492 1.00 0.00 H new ATOM 0 HA SER A 88 -19.725 10.443 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.818 9.699 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.456 11.326 -3.018 1.00 0.00 H new ATOM 0 HG SER A 88 -19.776 9.969 -1.678 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.515 10.454 -5.707 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.432 11.194 -6.343 1.00 0.00 C ATOM 1389 C GLN A 89 -15.222 12.543 -5.663 1.00 0.00 C ATOM 1390 O GLN A 89 -15.136 13.576 -6.326 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.730 11.399 -7.829 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.202 10.282 -8.715 1.00 0.00 C ATOM 1393 CD GLN A 89 -13.694 10.140 -8.640 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -13.035 10.814 -7.847 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -13.140 9.261 -9.466 1.00 0.00 N ATOM 0 H GLN A 89 -16.286 9.487 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.517 10.610 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.808 11.482 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.294 12.344 -8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.667 9.341 -8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.494 10.474 -9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.725 8.724 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.129 9.122 -9.460 1.00 0.00 H new ATOM 1404 N MET A 90 -15.141 12.526 -4.337 1.00 0.00 N ATOM 1405 CA MET A 90 -14.941 13.749 -3.568 1.00 0.00 C ATOM 1406 C MET A 90 -13.744 14.533 -4.096 1.00 0.00 C ATOM 1407 O MET A 90 -12.855 13.971 -4.736 1.00 0.00 O ATOM 1408 CB MET A 90 -14.736 13.418 -2.088 1.00 0.00 C ATOM 1409 CG MET A 90 -15.964 12.816 -1.424 1.00 0.00 C ATOM 1410 SD MET A 90 -16.023 11.020 -1.573 1.00 0.00 S ATOM 1411 CE MET A 90 -16.608 10.564 0.057 1.00 0.00 C ATOM 0 H MET A 90 -15.211 11.679 -3.772 1.00 0.00 H new ATOM 0 HA MET A 90 -15.833 14.366 -3.675 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.903 12.722 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.455 14.327 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.973 13.090 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.861 13.244 -1.872 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.173 9.607 0.345 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.313 11.328 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.695 10.479 0.043 1.00 0.00 H new ATOM 1421 N SER A 91 -13.728 15.834 -3.824 1.00 0.00 N ATOM 1422 CA SER A 91 -12.642 16.696 -4.276 1.00 0.00 C ATOM 1423 C SER A 91 -11.298 16.193 -3.759 1.00 0.00 C ATOM 1424 O SER A 91 -10.347 16.033 -4.524 1.00 0.00 O ATOM 1425 CB SER A 91 -12.875 18.134 -3.808 1.00 0.00 C ATOM 1426 OG SER A 91 -12.103 19.049 -4.566 1.00 0.00 O ATOM 0 H SER A 91 -14.455 16.314 -3.293 1.00 0.00 H new ATOM 0 HA SER A 91 -12.624 16.674 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.932 18.383 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.617 18.223 -2.753 1.00 0.00 H new ATOM 0 HG SER A 91 -12.271 19.961 -4.248 1.00 0.00 H new ATOM 1432 N MET A 92 -11.228 15.944 -2.456 1.00 0.00 N ATOM 1433 CA MET A 92 -10.001 15.457 -1.836 1.00 0.00 C ATOM 1434 C MET A 92 -9.860 13.950 -2.020 1.00 0.00 C ATOM 1435 O MET A 92 -10.841 13.227 -2.196 1.00 0.00 O ATOM 1436 CB MET A 92 -9.984 15.805 -0.346 1.00 0.00 C ATOM 1437 CG MET A 92 -10.604 14.733 0.535 1.00 0.00 C ATOM 1438 SD MET A 92 -12.384 14.575 0.290 1.00 0.00 S ATOM 1439 CE MET A 92 -12.996 15.168 1.865 1.00 0.00 C ATOM 0 H MET A 92 -12.006 16.071 -1.809 1.00 0.00 H new ATOM 0 HA MET A 92 -9.158 15.945 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.954 15.971 -0.032 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.519 16.743 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.126 13.776 0.326 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.405 14.968 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 92 -14.085 15.131 1.869 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.609 14.539 2.666 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.667 16.196 2.020 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.611 13.462 -1.979 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.313 12.035 -2.139 1.00 0.00 C ATOM 1451 C PRO A 93 -8.780 11.208 -0.946 1.00 0.00 C ATOM 1452 O PRO A 93 -8.754 11.674 0.194 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.786 12.002 -2.247 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.329 13.229 -1.537 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.394 14.265 -1.772 1.00 0.00 C ATOM 0 HA PRO A 93 -8.825 11.606 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.376 11.103 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.463 12.003 -3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.199 13.038 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.366 13.566 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.496 14.937 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.168 14.884 -2.641 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.207 9.979 -1.215 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.681 9.087 -0.164 1.00 0.00 C ATOM 1465 C PHE A 94 -8.857 9.260 1.109 1.00 0.00 C ATOM 1466 O PHE A 94 -9.399 9.545 2.177 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.615 7.631 -0.632 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.881 6.637 0.462 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.179 6.325 0.832 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.833 6.013 1.119 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.427 5.411 1.838 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.074 5.098 2.126 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.373 4.796 2.486 1.00 0.00 C ATOM 0 H PHE A 94 -9.234 9.578 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.717 9.345 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.340 7.482 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.629 7.438 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.007 6.802 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.815 6.244 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.444 5.177 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.248 4.620 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.564 4.081 3.272 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.545 9.087 0.986 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.647 9.223 2.127 1.00 0.00 C ATOM 1485 C GLN A 95 -7.114 10.337 3.057 1.00 0.00 C ATOM 1486 O GLN A 95 -7.335 10.113 4.247 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.221 9.505 1.649 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.161 9.234 2.705 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.767 9.604 2.239 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.580 10.581 1.514 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -1.777 8.822 2.655 1.00 0.00 N ATOM 0 H GLN A 95 -7.080 8.853 0.109 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.658 8.284 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.013 8.893 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.151 10.546 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.400 9.797 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.182 8.178 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.977 8.022 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.817 9.022 2.374 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.262 11.538 2.507 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.702 12.687 3.289 1.00 0.00 C ATOM 1502 C GLN A 96 -9.033 12.402 3.975 1.00 0.00 C ATOM 1503 O GLN A 96 -9.163 12.558 5.189 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.830 13.921 2.394 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.760 15.235 3.155 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.940 16.442 2.255 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -7.259 16.580 1.238 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.861 17.323 2.624 1.00 0.00 N ATOM 0 H GLN A 96 -7.084 11.740 1.523 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.953 12.880 4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.037 13.901 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.777 13.872 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.529 15.245 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.798 15.305 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.402 17.169 3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.028 18.154 2.057 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.019 11.982 3.191 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.342 11.675 3.723 1.00 0.00 C ATOM 1519 C TRP A 97 -11.245 10.698 4.890 1.00 0.00 C ATOM 1520 O TRP A 97 -11.723 10.980 5.988 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.233 11.092 2.626 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.683 11.039 3.003 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.484 12.096 3.330 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.502 9.869 3.095 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.752 11.653 3.620 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.789 10.290 3.482 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.275 8.506 2.886 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.842 9.397 3.664 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.320 7.620 3.068 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.591 8.069 3.453 1.00 0.00 C ATOM 0 H TRP A 97 -9.928 11.846 2.184 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.785 12.603 4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -12.122 11.690 1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.890 10.085 2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.167 13.128 3.357 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.538 12.243 3.894 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.300 8.151 2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.822 9.741 3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.155 6.564 2.911 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.388 7.352 3.586 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.625 9.548 4.643 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.467 8.530 5.675 1.00 0.00 C ATOM 1543 C GLU A 98 -10.201 9.169 7.035 1.00 0.00 C ATOM 1544 O GLU A 98 -10.872 8.861 8.019 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.324 7.579 5.314 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.511 6.170 5.850 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.319 6.087 7.352 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.256 6.526 7.838 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.230 5.582 8.040 1.00 0.00 O ATOM 0 H GLU A 98 -10.225 9.298 3.739 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.396 7.964 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.228 7.536 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.389 7.985 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.511 5.818 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.803 5.502 5.360 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.217 10.061 7.080 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.863 10.746 8.318 1.00 0.00 C ATOM 1558 C ALA A 99 -10.099 11.326 8.997 1.00 0.00 C ATOM 1559 O ALA A 99 -10.275 11.191 10.209 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.846 11.843 8.042 1.00 0.00 C ATOM 0 H ALA A 99 -8.651 10.326 6.274 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.418 10.016 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.591 12.346 8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.947 11.405 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.270 12.565 7.345 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.952 11.972 8.211 1.00 0.00 N ATOM 1567 CA LEU A 100 -12.172 12.574 8.737 1.00 0.00 C ATOM 1568 C LEU A 100 -13.092 11.512 9.330 1.00 0.00 C ATOM 1569 O LEU A 100 -13.668 11.703 10.400 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.904 13.340 7.632 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.516 14.809 7.464 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -11.156 14.929 6.794 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -13.575 15.552 6.663 1.00 0.00 C ATOM 0 H LEU A 100 -10.822 12.093 7.207 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.892 13.269 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.729 12.828 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.975 13.288 7.829 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.452 15.263 8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.897 15.982 6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.403 14.433 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.192 14.459 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.282 16.596 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.672 15.097 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.531 15.496 7.184 1.00 0.00 H new ATOM 1585 N ASN A 101 -13.222 10.391 8.628 1.00 0.00 N ATOM 1586 CA ASN A 101 -14.071 9.296 9.086 1.00 0.00 C ATOM 1587 C ASN A 101 -13.687 8.865 10.498 1.00 0.00 C ATOM 1588 O ASN A 101 -14.505 8.912 11.416 1.00 0.00 O ATOM 1589 CB ASN A 101 -13.964 8.106 8.130 1.00 0.00 C ATOM 1590 CG ASN A 101 -14.549 8.408 6.764 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -13.872 8.276 5.744 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -15.812 8.816 6.738 1.00 0.00 N ATOM 0 H ASN A 101 -12.751 10.217 7.740 1.00 0.00 H new ATOM 0 HA ASN A 101 -15.102 9.650 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.917 7.825 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.480 7.249 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -16.259 9.034 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -16.335 8.911 7.608 1.00 0.00 H new ATOM 1599 N ASP A 102 -12.437 8.445 10.663 1.00 0.00 N ATOM 1600 CA ASP A 102 -11.943 8.007 11.963 1.00 0.00 C ATOM 1601 C ASP A 102 -11.567 9.203 12.833 1.00 0.00 C ATOM 1602 O ASP A 102 -11.036 10.198 12.341 1.00 0.00 O ATOM 1603 CB ASP A 102 -10.734 7.087 11.789 1.00 0.00 C ATOM 1604 CG ASP A 102 -10.542 6.154 12.969 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -10.016 6.610 14.006 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -10.917 4.968 12.856 1.00 0.00 O ATOM 0 H ASP A 102 -11.748 8.399 9.913 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.741 7.456 12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.857 6.498 10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.837 7.692 11.658 1.00 0.00 H new ATOM 1611 N SER A 103 -11.848 9.097 14.128 1.00 0.00 N ATOM 1612 CA SER A 103 -11.544 10.172 15.066 1.00 0.00 C ATOM 1613 C SER A 103 -10.193 9.941 15.736 1.00 0.00 C ATOM 1614 O SER A 103 -9.585 10.869 16.269 1.00 0.00 O ATOM 1615 CB SER A 103 -12.641 10.277 16.127 1.00 0.00 C ATOM 1616 OG SER A 103 -13.688 11.129 15.695 1.00 0.00 O ATOM 0 H SER A 103 -12.285 8.279 14.551 1.00 0.00 H new ATOM 0 HA SER A 103 -11.498 11.107 14.507 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.040 9.286 16.342 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.217 10.658 17.056 1.00 0.00 H new ATOM 0 HG SER A 103 -14.377 11.178 16.390 1.00 0.00 H new ATOM 1622 N VAL A 104 -9.729 8.696 15.706 1.00 0.00 N ATOM 1623 CA VAL A 104 -8.449 8.342 16.309 1.00 0.00 C ATOM 1624 C VAL A 104 -7.303 8.543 15.324 1.00 0.00 C ATOM 1625 O VAL A 104 -6.867 7.602 14.661 1.00 0.00 O ATOM 1626 CB VAL A 104 -8.444 6.880 16.795 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -7.086 6.516 17.377 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -9.548 6.654 17.816 1.00 0.00 C ATOM 0 H VAL A 104 -10.220 7.915 15.271 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.308 9.002 17.165 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.633 6.231 15.940 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.101 5.480 17.715 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.318 6.637 16.613 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.865 7.170 18.221 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.529 5.616 18.148 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.393 7.312 18.671 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.514 6.872 17.361 1.00 0.00 H new ATOM 1638 N LYS A 105 -6.817 9.776 15.235 1.00 0.00 N ATOM 1639 CA LYS A 105 -5.719 10.103 14.333 1.00 0.00 C ATOM 1640 C LYS A 105 -4.408 9.507 14.834 1.00 0.00 C ATOM 1641 O LYS A 105 -3.827 9.987 15.808 1.00 0.00 O ATOM 1642 CB LYS A 105 -5.581 11.620 14.192 1.00 0.00 C ATOM 1643 CG LYS A 105 -4.702 12.046 13.029 1.00 0.00 C ATOM 1644 CD LYS A 105 -4.572 13.558 12.953 1.00 0.00 C ATOM 1645 CE LYS A 105 -3.264 13.973 12.297 1.00 0.00 C ATOM 1646 NZ LYS A 105 -2.898 15.378 12.629 1.00 0.00 N ATOM 0 H LYS A 105 -7.166 10.566 15.777 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.944 9.673 13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.572 12.056 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.169 12.026 15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.713 11.600 13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.122 11.669 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.409 13.968 12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.627 13.980 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.467 13.304 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.350 13.866 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.001 15.622 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.646 16.019 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.791 15.475 13.659 1.00 0.00 H new ATOM 1660 N THR A 106 -3.944 8.457 14.161 1.00 0.00 N ATOM 1661 CA THR A 106 -2.701 7.796 14.538 1.00 0.00 C ATOM 1662 C THR A 106 -1.932 7.330 13.308 1.00 0.00 C ATOM 1663 O THR A 106 -2.461 6.593 12.476 1.00 0.00 O ATOM 1664 CB THR A 106 -2.964 6.587 15.455 1.00 0.00 C ATOM 1665 OG1 THR A 106 -1.721 6.022 15.889 1.00 0.00 O ATOM 1666 CG2 THR A 106 -3.783 5.528 14.733 1.00 0.00 C ATOM 0 H THR A 106 -4.411 8.047 13.352 1.00 0.00 H new ATOM 0 HA THR A 106 -2.104 8.530 15.080 1.00 0.00 H new ATOM 0 HB THR A 106 -3.528 6.932 16.321 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.897 5.255 16.473 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.956 4.684 15.401 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.740 5.953 14.429 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.241 5.188 13.851 1.00 0.00 H new ATOM 1674 N SER A 107 -0.680 7.763 13.199 1.00 0.00 N ATOM 1675 CA SER A 107 0.162 7.391 12.068 1.00 0.00 C ATOM 1676 C SER A 107 1.640 7.502 12.431 1.00 0.00 C ATOM 1677 O SER A 107 2.024 8.310 13.275 1.00 0.00 O ATOM 1678 CB SER A 107 -0.147 8.280 10.862 1.00 0.00 C ATOM 1679 OG SER A 107 -1.250 7.778 10.128 1.00 0.00 O ATOM 0 H SER A 107 -0.226 8.372 13.880 1.00 0.00 H new ATOM 0 HA SER A 107 -0.054 6.354 11.811 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.362 9.294 11.199 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.728 8.338 10.215 1.00 0.00 H new ATOM 0 HG SER A 107 -1.846 7.285 10.730 1.00 0.00 H new ATOM 1685 N GLY A 108 2.464 6.682 11.786 1.00 0.00 N ATOM 1686 CA GLY A 108 3.891 6.702 12.053 1.00 0.00 C ATOM 1687 C GLY A 108 4.329 5.561 12.949 1.00 0.00 C ATOM 1688 O GLY A 108 4.541 5.732 14.150 1.00 0.00 O ATOM 0 H GLY A 108 2.169 6.004 11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.435 6.649 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.157 7.650 12.521 1.00 0.00 H new ATOM 1692 N PRO A 109 4.469 4.363 12.362 1.00 0.00 N ATOM 1693 CA PRO A 109 4.885 3.165 13.097 1.00 0.00 C ATOM 1694 C PRO A 109 6.345 3.231 13.535 1.00 0.00 C ATOM 1695 O PRO A 109 7.251 2.949 12.751 1.00 0.00 O ATOM 1696 CB PRO A 109 4.682 2.038 12.082 1.00 0.00 C ATOM 1697 CG PRO A 109 4.789 2.701 10.753 1.00 0.00 C ATOM 1698 CD PRO A 109 4.234 4.086 10.935 1.00 0.00 C ATOM 0 HA PRO A 109 4.318 3.035 14.018 1.00 0.00 H new ATOM 0 HB2 PRO A 109 5.437 1.260 12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.710 1.561 12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.825 2.737 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.228 2.152 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.741 4.809 10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.174 4.130 10.686 1.00 0.00 H new ATOM 1706 N SER A 110 6.564 3.604 14.792 1.00 0.00 N ATOM 1707 CA SER A 110 7.914 3.710 15.333 1.00 0.00 C ATOM 1708 C SER A 110 8.419 2.350 15.804 1.00 0.00 C ATOM 1709 O SER A 110 8.133 1.923 16.923 1.00 0.00 O ATOM 1710 CB SER A 110 7.945 4.708 16.492 1.00 0.00 C ATOM 1711 OG SER A 110 9.234 5.278 16.640 1.00 0.00 O ATOM 0 H SER A 110 5.824 3.838 15.454 1.00 0.00 H new ATOM 0 HA SER A 110 8.570 4.066 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.213 5.497 16.317 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.658 4.206 17.416 1.00 0.00 H new ATOM 0 HG SER A 110 9.227 5.913 17.386 1.00 0.00 H new ATOM 1717 N SER A 111 9.171 1.674 14.942 1.00 0.00 N ATOM 1718 CA SER A 111 9.713 0.360 15.267 1.00 0.00 C ATOM 1719 C SER A 111 10.709 -0.096 14.204 1.00 0.00 C ATOM 1720 O SER A 111 10.479 0.076 13.008 1.00 0.00 O ATOM 1721 CB SER A 111 8.584 -0.664 15.396 1.00 0.00 C ATOM 1722 OG SER A 111 9.073 -1.906 15.871 1.00 0.00 O ATOM 0 H SER A 111 9.419 2.014 14.013 1.00 0.00 H new ATOM 0 HA SER A 111 10.235 0.437 16.221 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.822 -0.285 16.077 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.104 -0.805 14.427 1.00 0.00 H new ATOM 0 HG SER A 111 8.332 -2.542 15.946 1.00 0.00 H new ATOM 1728 N GLY A 112 11.818 -0.678 14.652 1.00 0.00 N ATOM 1729 CA GLY A 112 12.833 -1.149 13.728 1.00 0.00 C ATOM 1730 C GLY A 112 14.064 -1.676 14.438 1.00 0.00 C ATOM 1731 O GLY A 112 13.997 -2.066 15.603 1.00 0.00 O ATOM 0 H GLY A 112 12.031 -0.831 15.638 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.413 -1.937 13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.121 -0.334 13.064 1.00 0.00 H new TER 1735 GLY A 112