USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 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 21 GLN : amide:sc= 0.499 K(o=0.23,f=-4) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -157:sc= -0.269! (180deg=-0.992!) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.127) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.124 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0225 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -169:sc= 0.568 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 0.887! (180deg=0.37!) USER MOD Single : A 28 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-1.8) USER MOD Single : A 33 CYS SG : rot 61:sc= 0.124 USER MOD Single : A 37 CYS SG : rot 80:sc= 0.851 USER MOD Single : A 41 THR OG1 : rot -96:sc= 1.32 USER MOD Single : A 43 GLN : amide:sc= 0.972 K(o=0.97,f=-0.013) USER MOD Single : A 45 THR OG1 : rot -100:sc= 0.96 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-3.8) USER MOD Single : A 59 SER OG : rot 94:sc= 1.5 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 0.694 (180deg=0.312) USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= 0.711 (180deg=-2.36!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 3.09 (180deg=2.47) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.7 (180deg=1.6) USER MOD Single : A 78 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 1.68 (180deg=0.473) USER MOD Single : A 86 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.016) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.509 -1.093 -0.002 1.00 0.00 N ATOM 2 CA MET A 1 2.455 -0.498 -1.362 1.00 0.00 C ATOM 3 C MET A 1 3.728 0.303 -1.656 1.00 0.00 C ATOM 4 O MET A 1 4.421 0.665 -0.714 1.00 0.00 O ATOM 5 CB MET A 1 1.179 0.357 -1.501 1.00 0.00 C ATOM 6 CG MET A 1 1.021 1.111 -2.822 1.00 0.00 C ATOM 7 SD MET A 1 -0.611 1.845 -3.065 1.00 0.00 S ATOM 8 CE MET A 1 -0.408 2.438 -4.764 1.00 0.00 C ATOM 0 H1 MET A 1 2.564 -2.129 -0.078 1.00 0.00 H new ATOM 0 H2 MET A 1 3.348 -0.738 0.499 1.00 0.00 H new ATOM 0 H3 MET A 1 1.653 -0.830 0.526 1.00 0.00 H new ATOM 0 HA MET A 1 2.408 -1.293 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.314 -0.293 -1.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.160 1.082 -0.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.772 1.899 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.225 0.426 -3.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.232 3.105 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.535 2.977 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.405 1.589 -5.448 1.00 0.00 H new ATOM 20 N ALA A 2 4.014 0.610 -2.929 1.00 0.00 N ATOM 21 CA ALA A 2 4.891 1.702 -3.386 1.00 0.00 C ATOM 22 C ALA A 2 4.150 2.571 -4.427 1.00 0.00 C ATOM 23 O ALA A 2 3.128 2.142 -4.968 1.00 0.00 O ATOM 24 CB ALA A 2 6.185 1.119 -3.973 1.00 0.00 C ATOM 0 H ALA A 2 3.622 0.079 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 2 5.155 2.336 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.830 1.931 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.702 0.538 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.943 0.474 -4.818 1.00 0.00 H new ATOM 30 N LEU A 3 4.643 3.777 -4.728 1.00 0.00 N ATOM 31 CA LEU A 3 3.901 4.784 -5.497 1.00 0.00 C ATOM 32 C LEU A 3 4.579 5.109 -6.834 1.00 0.00 C ATOM 33 O LEU A 3 5.644 5.706 -6.873 1.00 0.00 O ATOM 34 CB LEU A 3 3.732 6.044 -4.636 1.00 0.00 C ATOM 35 CG LEU A 3 2.474 6.873 -4.905 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.180 6.138 -4.552 1.00 0.00 C ATOM 37 CD2 LEU A 3 2.555 8.140 -4.052 1.00 0.00 C ATOM 0 H LEU A 3 5.573 4.084 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 3 2.921 4.378 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.730 5.747 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.603 6.682 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 3 2.442 7.088 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.326 6.781 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.106 5.227 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.184 5.882 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.669 8.752 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.608 7.866 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.445 8.706 -4.325 1.00 0.00 H new ATOM 49 N ALA A 4 3.944 4.722 -7.931 1.00 0.00 N ATOM 50 CA ALA A 4 4.392 4.977 -9.298 1.00 0.00 C ATOM 51 C ALA A 4 4.157 6.438 -9.723 1.00 0.00 C ATOM 52 O ALA A 4 3.005 6.875 -9.812 1.00 0.00 O ATOM 53 CB ALA A 4 3.681 3.988 -10.230 1.00 0.00 C ATOM 0 H ALA A 4 3.068 4.201 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 4 5.470 4.826 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.002 4.161 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.933 2.968 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.603 4.131 -10.158 1.00 0.00 H new ATOM 59 N VAL A 5 5.231 7.175 -10.033 1.00 0.00 N ATOM 60 CA VAL A 5 5.189 8.521 -10.627 1.00 0.00 C ATOM 61 C VAL A 5 5.856 8.521 -11.996 1.00 0.00 C ATOM 62 O VAL A 5 6.857 7.853 -12.247 1.00 0.00 O ATOM 63 CB VAL A 5 5.801 9.623 -9.742 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.578 11.055 -10.255 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.280 9.599 -8.310 1.00 0.00 C ATOM 0 H VAL A 5 6.182 6.843 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 5 4.131 8.765 -10.724 1.00 0.00 H new ATOM 0 HB VAL A 5 6.863 9.382 -9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.043 11.764 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.024 11.161 -11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.509 11.257 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.750 10.400 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.199 9.741 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.518 8.639 -7.852 1.00 0.00 H new ATOM 75 N ARG A 6 5.280 9.277 -12.914 1.00 0.00 N ATOM 76 CA ARG A 6 5.735 9.451 -14.299 1.00 0.00 C ATOM 77 C ARG A 6 5.864 10.932 -14.631 1.00 0.00 C ATOM 78 O ARG A 6 5.163 11.753 -14.044 1.00 0.00 O ATOM 79 CB ARG A 6 4.776 8.742 -15.281 1.00 0.00 C ATOM 80 CG ARG A 6 4.647 7.226 -15.054 1.00 0.00 C ATOM 81 CD ARG A 6 5.938 6.460 -15.368 1.00 0.00 C ATOM 82 NE ARG A 6 5.862 5.034 -14.980 1.00 0.00 N ATOM 83 CZ ARG A 6 6.187 4.508 -13.809 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.448 5.221 -12.764 1.00 0.00 N ATOM 85 NH2 ARG A 6 6.305 3.229 -13.619 1.00 0.00 N ATOM 0 H ARG A 6 4.439 9.817 -12.712 1.00 0.00 H new ATOM 0 HA ARG A 6 6.718 8.992 -14.403 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.788 9.196 -15.198 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.122 8.917 -16.300 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.365 7.042 -14.017 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.841 6.838 -15.677 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.148 6.532 -16.435 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.771 6.931 -14.847 1.00 0.00 H new ATOM 0 HE ARG A 6 5.523 4.386 -15.691 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.409 6.239 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.694 4.766 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.145 2.582 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.558 2.871 -12.698 1.00 0.00 H new ATOM 99 N VAL A 7 6.718 11.231 -15.602 1.00 0.00 N ATOM 100 CA VAL A 7 6.763 12.506 -16.323 1.00 0.00 C ATOM 101 C VAL A 7 6.896 12.192 -17.800 1.00 0.00 C ATOM 102 O VAL A 7 7.926 11.678 -18.232 1.00 0.00 O ATOM 103 CB VAL A 7 7.901 13.455 -15.907 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.629 14.858 -16.474 1.00 0.00 C ATOM 105 CG2 VAL A 7 8.106 13.561 -14.399 1.00 0.00 C ATOM 0 H VAL A 7 7.426 10.571 -15.924 1.00 0.00 H new ATOM 0 HA VAL A 7 5.844 13.038 -16.078 1.00 0.00 H new ATOM 0 HB VAL A 7 8.816 13.027 -16.316 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.434 15.532 -16.180 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.577 14.807 -17.562 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.683 15.231 -16.083 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.926 14.249 -14.191 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.193 13.932 -13.933 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.346 12.578 -13.994 1.00 0.00 H new ATOM 115 N VAL A 8 5.849 12.460 -18.566 1.00 0.00 N ATOM 116 CA VAL A 8 5.978 12.510 -20.026 1.00 0.00 C ATOM 117 C VAL A 8 6.407 13.907 -20.457 1.00 0.00 C ATOM 118 O VAL A 8 5.951 14.901 -19.893 1.00 0.00 O ATOM 119 CB VAL A 8 4.719 11.977 -20.723 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.469 12.812 -20.511 1.00 0.00 C ATOM 121 CG2 VAL A 8 4.941 11.781 -22.223 1.00 0.00 C ATOM 0 H VAL A 8 4.910 12.645 -18.213 1.00 0.00 H new ATOM 0 HA VAL A 8 6.769 11.834 -20.352 1.00 0.00 H new ATOM 0 HB VAL A 8 4.541 11.016 -20.239 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.633 12.356 -21.041 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.240 12.861 -19.446 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.635 13.819 -20.893 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.026 11.403 -22.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.207 12.735 -22.679 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.748 11.066 -22.381 1.00 0.00 H new ATOM 131 N TYR A 9 7.347 13.983 -21.404 1.00 0.00 N ATOM 132 CA TYR A 9 7.721 15.208 -22.111 1.00 0.00 C ATOM 133 C TYR A 9 8.421 14.857 -23.444 1.00 0.00 C ATOM 134 O TYR A 9 8.408 13.711 -23.889 1.00 0.00 O ATOM 135 CB TYR A 9 8.583 16.117 -21.204 1.00 0.00 C ATOM 136 CG TYR A 9 8.863 17.504 -21.756 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.808 18.282 -22.271 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.179 18.006 -21.791 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.059 19.562 -22.796 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.438 19.280 -22.330 1.00 0.00 C ATOM 141 CZ TYR A 9 9.374 20.063 -22.827 1.00 0.00 C ATOM 142 OH TYR A 9 9.602 21.301 -23.329 1.00 0.00 O ATOM 0 H TYR A 9 7.883 13.170 -21.707 1.00 0.00 H new ATOM 0 HA TYR A 9 6.823 15.775 -22.358 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.083 16.221 -20.241 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.534 15.619 -21.017 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.800 17.893 -22.263 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.992 17.411 -21.403 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.244 20.160 -23.175 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.449 19.658 -22.363 1.00 0.00 H new ATOM 0 HH TYR A 9 10.560 21.503 -23.280 1.00 0.00 H new ATOM 152 N SER A 10 9.031 15.835 -24.113 1.00 0.00 N ATOM 153 CA SER A 10 9.882 15.675 -25.279 1.00 0.00 C ATOM 154 C SER A 10 11.358 15.905 -24.934 1.00 0.00 C ATOM 155 O SER A 10 11.718 16.527 -23.935 1.00 0.00 O ATOM 156 CB SER A 10 9.422 16.654 -26.361 1.00 0.00 C ATOM 157 OG SER A 10 9.647 17.997 -25.982 1.00 0.00 O ATOM 0 H SER A 10 8.936 16.812 -23.836 1.00 0.00 H new ATOM 0 HA SER A 10 9.795 14.651 -25.644 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.952 16.445 -27.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.361 16.505 -26.559 1.00 0.00 H new ATOM 0 HG SER A 10 9.343 18.594 -26.697 1.00 0.00 H new ATOM 163 N GLY A 11 12.229 15.439 -25.824 1.00 0.00 N ATOM 164 CA GLY A 11 13.681 15.569 -25.685 1.00 0.00 C ATOM 165 C GLY A 11 14.252 16.946 -26.053 1.00 0.00 C ATOM 166 O GLY A 11 15.469 17.105 -26.005 1.00 0.00 O ATOM 0 H GLY A 11 11.945 14.953 -26.675 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.953 15.345 -24.654 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.159 14.816 -26.312 1.00 0.00 H new ATOM 170 N ALA A 12 13.400 17.909 -26.433 1.00 0.00 N ATOM 171 CA ALA A 12 13.705 19.097 -27.246 1.00 0.00 C ATOM 172 C ALA A 12 15.025 19.816 -26.909 1.00 0.00 C ATOM 173 O ALA A 12 15.829 20.076 -27.801 1.00 0.00 O ATOM 174 CB ALA A 12 12.502 20.047 -27.167 1.00 0.00 C ATOM 0 H ALA A 12 12.417 17.878 -26.164 1.00 0.00 H new ATOM 0 HA ALA A 12 13.871 18.752 -28.266 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.702 20.938 -27.762 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.615 19.544 -27.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.333 20.334 -26.129 1.00 0.00 H new ATOM 180 N CYS A 13 15.265 20.116 -25.631 1.00 0.00 N ATOM 181 CA CYS A 13 16.599 20.441 -25.126 1.00 0.00 C ATOM 182 C CYS A 13 16.719 20.063 -23.638 1.00 0.00 C ATOM 183 O CYS A 13 15.719 20.047 -22.921 1.00 0.00 O ATOM 184 CB CYS A 13 16.869 21.936 -25.352 1.00 0.00 C ATOM 185 SG CYS A 13 18.645 22.278 -25.189 1.00 0.00 S ATOM 0 H CYS A 13 14.538 20.140 -24.916 1.00 0.00 H new ATOM 0 HA CYS A 13 17.350 19.864 -25.666 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.523 22.231 -26.343 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.308 22.529 -24.629 1.00 0.00 H new ATOM 0 HG CYS A 13 18.863 23.545 -25.384 1.00 0.00 H new ATOM 191 N GLY A 14 17.937 19.769 -23.166 1.00 0.00 N ATOM 192 CA GLY A 14 18.312 19.634 -21.748 1.00 0.00 C ATOM 193 C GLY A 14 17.554 18.615 -20.878 1.00 0.00 C ATOM 194 O GLY A 14 17.802 18.567 -19.674 1.00 0.00 O ATOM 0 H GLY A 14 18.728 19.611 -23.791 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.371 19.379 -21.709 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.202 20.613 -21.282 1.00 0.00 H new ATOM 198 N TYR A 15 16.640 17.808 -21.431 1.00 0.00 N ATOM 199 CA TYR A 15 15.629 17.089 -20.648 1.00 0.00 C ATOM 200 C TYR A 15 16.193 16.204 -19.524 1.00 0.00 C ATOM 201 O TYR A 15 15.799 16.395 -18.379 1.00 0.00 O ATOM 202 CB TYR A 15 14.645 16.350 -21.572 1.00 0.00 C ATOM 203 CG TYR A 15 15.122 15.032 -22.160 1.00 0.00 C ATOM 204 CD1 TYR A 15 16.061 15.018 -23.211 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.587 13.815 -21.686 1.00 0.00 C ATOM 206 CE1 TYR A 15 16.449 13.798 -23.797 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.978 12.591 -22.265 1.00 0.00 C ATOM 208 CZ TYR A 15 15.906 12.581 -23.330 1.00 0.00 C ATOM 209 OH TYR A 15 16.306 11.403 -23.877 1.00 0.00 O ATOM 0 H TYR A 15 16.581 17.635 -22.435 1.00 0.00 H new ATOM 0 HA TYR A 15 15.068 17.850 -20.105 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.729 16.162 -21.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.385 17.016 -22.395 1.00 0.00 H new ATOM 0 HD1 TYR A 15 16.484 15.945 -23.568 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.874 13.822 -20.875 1.00 0.00 H new ATOM 0 HE1 TYR A 15 17.164 13.793 -24.606 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.569 11.662 -21.895 1.00 0.00 H new ATOM 0 HH TYR A 15 15.835 10.663 -23.440 1.00 0.00 H new ATOM 219 N LYS A 16 17.147 15.302 -19.797 1.00 0.00 N ATOM 220 CA LYS A 16 17.701 14.343 -18.814 1.00 0.00 C ATOM 221 C LYS A 16 18.171 14.971 -17.483 1.00 0.00 C ATOM 222 O LYS A 16 17.625 14.587 -16.450 1.00 0.00 O ATOM 223 CB LYS A 16 18.779 13.462 -19.478 1.00 0.00 C ATOM 224 CG LYS A 16 18.168 12.485 -20.500 1.00 0.00 C ATOM 225 CD LYS A 16 19.167 12.031 -21.575 1.00 0.00 C ATOM 226 CE LYS A 16 20.299 11.130 -21.062 1.00 0.00 C ATOM 227 NZ LYS A 16 19.865 9.717 -20.896 1.00 0.00 N ATOM 0 H LYS A 16 17.567 15.212 -20.722 1.00 0.00 H new ATOM 0 HA LYS A 16 16.871 13.706 -18.507 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.512 14.097 -19.975 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.312 12.900 -18.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.788 11.610 -19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.315 12.961 -20.984 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.623 11.498 -22.355 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.606 12.914 -22.039 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.137 11.171 -21.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.659 11.512 -20.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.663 9.147 -20.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.083 9.672 -20.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.546 9.342 -21.812 1.00 0.00 H new ATOM 241 N PRO A 17 19.126 15.924 -17.439 1.00 0.00 N ATOM 242 CA PRO A 17 19.493 16.587 -16.184 1.00 0.00 C ATOM 243 C PRO A 17 18.376 17.478 -15.621 1.00 0.00 C ATOM 244 O PRO A 17 18.225 17.529 -14.403 1.00 0.00 O ATOM 245 CB PRO A 17 20.764 17.384 -16.494 1.00 0.00 C ATOM 246 CG PRO A 17 20.656 17.661 -17.993 1.00 0.00 C ATOM 247 CD PRO A 17 19.970 16.404 -18.525 1.00 0.00 C ATOM 0 HA PRO A 17 19.661 15.851 -15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.809 18.308 -15.917 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.663 16.815 -16.255 1.00 0.00 H new ATOM 0 HG2 PRO A 17 20.070 18.558 -18.197 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.635 17.810 -18.448 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.377 16.628 -19.412 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.703 15.650 -18.813 1.00 0.00 H new ATOM 255 N LYS A 18 17.538 18.122 -16.455 1.00 0.00 N ATOM 256 CA LYS A 18 16.384 18.896 -15.957 1.00 0.00 C ATOM 257 C LYS A 18 15.426 17.987 -15.170 1.00 0.00 C ATOM 258 O LYS A 18 15.020 18.339 -14.067 1.00 0.00 O ATOM 259 CB LYS A 18 15.706 19.646 -17.126 1.00 0.00 C ATOM 260 CG LYS A 18 15.077 21.004 -16.753 1.00 0.00 C ATOM 261 CD LYS A 18 13.801 20.933 -15.897 1.00 0.00 C ATOM 262 CE LYS A 18 13.244 22.325 -15.553 1.00 0.00 C ATOM 263 NZ LYS A 18 12.704 23.045 -16.737 1.00 0.00 N ATOM 0 H LYS A 18 17.637 18.122 -17.470 1.00 0.00 H new ATOM 0 HA LYS A 18 16.722 19.657 -15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.445 19.808 -17.911 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.930 19.007 -17.546 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.821 21.593 -16.216 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.847 21.542 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.041 20.363 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.016 20.393 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.455 22.220 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.034 22.924 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.344 23.975 -16.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.460 23.173 -17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.930 22.491 -17.157 1.00 0.00 H new ATOM 277 N TYR A 19 15.099 16.815 -15.719 1.00 0.00 N ATOM 278 CA TYR A 19 14.340 15.743 -15.072 1.00 0.00 C ATOM 279 C TYR A 19 14.984 15.320 -13.748 1.00 0.00 C ATOM 280 O TYR A 19 14.319 15.352 -12.716 1.00 0.00 O ATOM 281 CB TYR A 19 14.256 14.526 -16.010 1.00 0.00 C ATOM 282 CG TYR A 19 13.001 14.429 -16.847 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.565 15.507 -17.645 1.00 0.00 C ATOM 284 CD2 TYR A 19 12.276 13.222 -16.826 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.380 15.387 -18.400 1.00 0.00 C ATOM 286 CE2 TYR A 19 11.112 13.097 -17.595 1.00 0.00 C ATOM 287 CZ TYR A 19 10.654 14.179 -18.366 1.00 0.00 C ATOM 288 OH TYR A 19 9.499 14.029 -19.050 1.00 0.00 O ATOM 0 H TYR A 19 15.370 16.576 -16.673 1.00 0.00 H new ATOM 0 HA TYR A 19 13.340 16.122 -14.860 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.116 14.546 -16.679 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.341 13.621 -15.409 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.137 16.422 -17.678 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.616 12.396 -16.219 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.031 16.215 -19.000 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.565 12.166 -17.595 1.00 0.00 H new ATOM 0 HH TYR A 19 9.058 13.200 -18.770 1.00 0.00 H new ATOM 298 N LEU A 20 16.266 14.927 -13.780 1.00 0.00 N ATOM 299 CA LEU A 20 17.012 14.477 -12.601 1.00 0.00 C ATOM 300 C LEU A 20 16.974 15.488 -11.462 1.00 0.00 C ATOM 301 O LEU A 20 16.802 15.086 -10.331 1.00 0.00 O ATOM 302 CB LEU A 20 18.472 14.206 -12.946 1.00 0.00 C ATOM 303 CG LEU A 20 18.723 12.933 -13.771 1.00 0.00 C ATOM 304 CD1 LEU A 20 20.162 12.906 -14.286 1.00 0.00 C ATOM 305 CD2 LEU A 20 18.501 11.670 -12.936 1.00 0.00 C ATOM 0 H LEU A 20 16.818 14.914 -14.637 1.00 0.00 H new ATOM 0 HA LEU A 20 16.522 13.560 -12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.863 15.061 -13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.041 14.137 -12.019 1.00 0.00 H new ATOM 0 HG LEU A 20 18.017 12.950 -14.602 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.323 11.999 -14.868 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.339 13.778 -14.916 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.851 12.923 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.687 10.790 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.184 11.670 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.473 11.649 -12.574 1.00 0.00 H new ATOM 317 N GLN A 21 17.108 16.782 -11.732 1.00 0.00 N ATOM 318 CA GLN A 21 17.165 17.812 -10.692 1.00 0.00 C ATOM 319 C GLN A 21 15.851 17.880 -9.889 1.00 0.00 C ATOM 320 O GLN A 21 15.864 18.047 -8.670 1.00 0.00 O ATOM 321 CB GLN A 21 17.506 19.153 -11.375 1.00 0.00 C ATOM 322 CG GLN A 21 18.339 20.106 -10.511 1.00 0.00 C ATOM 323 CD GLN A 21 17.607 20.684 -9.308 1.00 0.00 C ATOM 324 OE1 GLN A 21 18.016 20.526 -8.173 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.529 21.414 -9.496 1.00 0.00 N ATOM 0 H GLN A 21 17.181 17.151 -12.680 1.00 0.00 H new ATOM 0 HA GLN A 21 17.938 17.570 -9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.049 18.950 -12.298 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.578 19.652 -11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.224 19.575 -10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.688 20.928 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.169 21.559 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.053 21.835 -8.698 1.00 0.00 H new ATOM 334 N LEU A 22 14.711 17.715 -10.572 1.00 0.00 N ATOM 335 CA LEU A 22 13.393 17.552 -9.954 1.00 0.00 C ATOM 336 C LEU A 22 13.252 16.179 -9.271 1.00 0.00 C ATOM 337 O LEU A 22 12.846 16.128 -8.109 1.00 0.00 O ATOM 338 CB LEU A 22 12.327 17.811 -11.038 1.00 0.00 C ATOM 339 CG LEU A 22 10.891 18.012 -10.506 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.080 18.800 -11.537 1.00 0.00 C ATOM 341 CD2 LEU A 22 10.144 16.700 -10.252 1.00 0.00 C ATOM 0 H LEU A 22 14.681 17.691 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 22 13.255 18.275 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.615 18.696 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.327 16.972 -11.734 1.00 0.00 H new ATOM 0 HG LEU A 22 10.989 18.538 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.065 18.945 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.548 19.770 -11.704 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.049 18.246 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.143 16.917 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.071 16.137 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.686 16.110 -9.513 1.00 0.00 H new ATOM 353 N LYS A 23 13.611 15.088 -9.968 1.00 0.00 N ATOM 354 CA LYS A 23 13.542 13.696 -9.516 1.00 0.00 C ATOM 355 C LYS A 23 14.329 13.479 -8.230 1.00 0.00 C ATOM 356 O LYS A 23 13.751 13.107 -7.218 1.00 0.00 O ATOM 357 CB LYS A 23 14.152 12.812 -10.603 1.00 0.00 C ATOM 358 CG LYS A 23 13.204 12.197 -11.631 1.00 0.00 C ATOM 359 CD LYS A 23 13.001 10.714 -11.314 1.00 0.00 C ATOM 360 CE LYS A 23 14.300 9.892 -11.405 1.00 0.00 C ATOM 361 NZ LYS A 23 14.174 8.627 -10.645 1.00 0.00 N ATOM 0 H LYS A 23 13.978 15.163 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 23 12.498 13.448 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.892 13.404 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.689 12.000 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.246 12.718 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.614 12.313 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.586 10.617 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.266 10.299 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.526 9.674 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.133 10.475 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.878 7.943 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.337 8.811 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.219 8.237 -10.776 1.00 0.00 H new ATOM 375 N GLU A 24 15.634 13.753 -8.294 1.00 0.00 N ATOM 376 CA GLU A 24 16.583 13.707 -7.175 1.00 0.00 C ATOM 377 C GLU A 24 16.007 14.314 -5.890 1.00 0.00 C ATOM 378 O GLU A 24 16.049 13.670 -4.847 1.00 0.00 O ATOM 379 CB GLU A 24 17.871 14.431 -7.608 1.00 0.00 C ATOM 380 CG GLU A 24 18.984 14.477 -6.550 1.00 0.00 C ATOM 381 CD GLU A 24 19.185 15.920 -6.085 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.753 16.732 -6.848 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.670 16.318 -5.019 1.00 0.00 O ATOM 0 H GLU A 24 16.081 14.026 -9.169 1.00 0.00 H new ATOM 0 HA GLU A 24 16.798 12.665 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.261 13.942 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.617 15.453 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.721 13.844 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.912 14.085 -6.966 1.00 0.00 H new ATOM 390 N LYS A 25 15.414 15.512 -5.976 1.00 0.00 N ATOM 391 CA LYS A 25 14.799 16.207 -4.835 1.00 0.00 C ATOM 392 C LYS A 25 13.650 15.419 -4.220 1.00 0.00 C ATOM 393 O LYS A 25 13.592 15.245 -3.011 1.00 0.00 O ATOM 394 CB LYS A 25 14.328 17.611 -5.264 1.00 0.00 C ATOM 395 CG LYS A 25 14.914 18.707 -4.362 1.00 0.00 C ATOM 396 CD LYS A 25 16.448 18.814 -4.394 1.00 0.00 C ATOM 397 CE LYS A 25 16.932 18.975 -5.836 1.00 0.00 C ATOM 398 NZ LYS A 25 18.398 18.899 -5.947 1.00 0.00 N ATOM 0 H LYS A 25 15.346 16.033 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 25 15.562 16.301 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.623 17.794 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.239 17.656 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.490 19.667 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.598 18.521 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.774 19.665 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.892 17.923 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.483 18.199 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.590 19.933 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.706 19.382 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.833 19.359 -5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.692 17.902 -5.983 1.00 0.00 H new ATOM 412 N LEU A 26 12.728 14.967 -5.060 1.00 0.00 N ATOM 413 CA LEU A 26 11.581 14.138 -4.730 1.00 0.00 C ATOM 414 C LEU A 26 11.995 12.833 -4.037 1.00 0.00 C ATOM 415 O LEU A 26 11.567 12.537 -2.929 1.00 0.00 O ATOM 416 CB LEU A 26 10.823 13.891 -6.047 1.00 0.00 C ATOM 417 CG LEU A 26 9.541 14.706 -6.180 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.806 16.210 -6.267 1.00 0.00 C ATOM 419 CD2 LEU A 26 8.734 14.276 -7.406 1.00 0.00 C ATOM 0 H LEU A 26 12.766 15.186 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 26 10.935 14.640 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.481 14.126 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.579 12.831 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 26 8.969 14.509 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.859 16.742 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.321 16.542 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.427 16.420 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.826 14.876 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.332 14.422 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.467 13.223 -7.315 1.00 0.00 H new ATOM 431 N GLU A 27 12.851 12.058 -4.684 1.00 0.00 N ATOM 432 CA GLU A 27 13.482 10.859 -4.139 1.00 0.00 C ATOM 433 C GLU A 27 14.287 11.090 -2.848 1.00 0.00 C ATOM 434 O GLU A 27 14.272 10.224 -1.981 1.00 0.00 O ATOM 435 CB GLU A 27 14.370 10.261 -5.246 1.00 0.00 C ATOM 436 CG GLU A 27 13.665 9.180 -6.079 1.00 0.00 C ATOM 437 CD GLU A 27 14.185 9.132 -7.531 1.00 0.00 C ATOM 438 OE1 GLU A 27 13.966 10.089 -8.305 1.00 0.00 O ATOM 439 OE2 GLU A 27 14.750 8.111 -7.985 1.00 0.00 O ATOM 0 H GLU A 27 13.139 12.252 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 27 12.692 10.170 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.700 11.061 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.264 9.834 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.813 8.208 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.592 9.371 -6.085 1.00 0.00 H new ATOM 446 N HIS A 28 14.935 12.241 -2.656 1.00 0.00 N ATOM 447 CA HIS A 28 15.477 12.648 -1.352 1.00 0.00 C ATOM 448 C HIS A 28 14.367 12.859 -0.307 1.00 0.00 C ATOM 449 O HIS A 28 14.523 12.482 0.857 1.00 0.00 O ATOM 450 CB HIS A 28 16.321 13.921 -1.542 1.00 0.00 C ATOM 451 CG HIS A 28 16.813 14.617 -0.291 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.800 14.140 1.002 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.252 15.910 -0.241 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.229 15.125 1.809 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.526 16.222 1.095 1.00 0.00 N ATOM 0 H HIS A 28 15.100 12.920 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 28 16.108 11.848 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.189 13.664 -2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.731 14.635 -2.116 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.515 13.205 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.367 16.574 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.322 15.045 2.882 1.00 0.00 H new ATOM 463 N GLU A 29 13.262 13.480 -0.712 1.00 0.00 N ATOM 464 CA GLU A 29 12.145 13.900 0.147 1.00 0.00 C ATOM 465 C GLU A 29 11.340 12.724 0.718 1.00 0.00 C ATOM 466 O GLU A 29 10.800 12.789 1.832 1.00 0.00 O ATOM 467 CB GLU A 29 11.180 14.736 -0.700 1.00 0.00 C ATOM 468 CG GLU A 29 10.268 15.688 0.070 1.00 0.00 C ATOM 469 CD GLU A 29 10.904 16.797 0.937 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.422 16.438 2.022 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.636 17.994 0.680 1.00 0.00 O ATOM 0 H GLU A 29 13.109 13.718 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 29 12.576 14.452 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.764 15.320 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.556 14.057 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.611 16.172 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.636 15.084 0.720 1.00 0.00 H new ATOM 478 N PHE A 30 11.204 11.673 -0.097 1.00 0.00 N ATOM 479 CA PHE A 30 10.507 10.415 0.216 1.00 0.00 C ATOM 480 C PHE A 30 11.122 9.195 -0.524 1.00 0.00 C ATOM 481 O PHE A 30 10.525 8.656 -1.464 1.00 0.00 O ATOM 482 CB PHE A 30 8.985 10.584 0.003 1.00 0.00 C ATOM 483 CG PHE A 30 8.569 11.642 -1.004 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.814 11.458 -2.374 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.012 12.853 -0.559 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.481 12.463 -3.299 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.701 13.870 -1.477 1.00 0.00 C ATOM 488 CZ PHE A 30 7.933 13.675 -2.846 1.00 0.00 C ATOM 0 H PHE A 30 11.595 11.673 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 30 10.654 10.187 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.574 9.626 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.528 10.824 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.261 10.538 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.822 13.003 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.646 12.304 -4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.283 14.803 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.691 14.456 -3.552 1.00 0.00 H new ATOM 498 N PRO A 31 12.313 8.718 -0.100 1.00 0.00 N ATOM 499 CA PRO A 31 13.067 7.678 -0.807 1.00 0.00 C ATOM 500 C PRO A 31 12.410 6.299 -0.754 1.00 0.00 C ATOM 501 O PRO A 31 11.879 5.885 0.277 1.00 0.00 O ATOM 502 CB PRO A 31 14.455 7.635 -0.147 1.00 0.00 C ATOM 503 CG PRO A 31 14.221 8.233 1.237 1.00 0.00 C ATOM 504 CD PRO A 31 13.113 9.253 0.993 1.00 0.00 C ATOM 0 HA PRO A 31 13.113 7.926 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.836 6.616 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.185 8.213 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.918 7.474 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.122 8.704 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.507 9.394 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.528 10.227 0.733 1.00 0.00 H new ATOM 512 N GLY A 32 12.507 5.554 -1.861 1.00 0.00 N ATOM 513 CA GLY A 32 12.202 4.123 -2.033 1.00 0.00 C ATOM 514 C GLY A 32 10.748 3.683 -1.882 1.00 0.00 C ATOM 515 O GLY A 32 10.335 2.683 -2.459 1.00 0.00 O ATOM 0 H GLY A 32 12.828 5.969 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.541 3.825 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.798 3.564 -1.311 1.00 0.00 H new ATOM 519 N CYS A 33 9.951 4.437 -1.133 1.00 0.00 N ATOM 520 CA CYS A 33 8.504 4.317 -1.079 1.00 0.00 C ATOM 521 C CYS A 33 7.854 4.772 -2.397 1.00 0.00 C ATOM 522 O CYS A 33 6.699 4.443 -2.681 1.00 0.00 O ATOM 523 CB CYS A 33 7.977 5.113 0.117 1.00 0.00 C ATOM 524 SG CYS A 33 8.906 4.773 1.645 1.00 0.00 S ATOM 0 H CYS A 33 10.311 5.174 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 33 8.237 3.268 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.031 6.178 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.925 4.873 0.274 1.00 0.00 H new ATOM 0 HG CYS A 33 10.150 5.115 1.482 1.00 0.00 H new ATOM 530 N LEU A 34 8.612 5.511 -3.215 1.00 0.00 N ATOM 531 CA LEU A 34 8.236 6.002 -4.530 1.00 0.00 C ATOM 532 C LEU A 34 9.083 5.321 -5.605 1.00 0.00 C ATOM 533 O LEU A 34 10.291 5.139 -5.454 1.00 0.00 O ATOM 534 CB LEU A 34 8.518 7.510 -4.608 1.00 0.00 C ATOM 535 CG LEU A 34 7.428 8.499 -4.170 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.511 8.828 -5.338 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.623 8.076 -2.944 1.00 0.00 C ATOM 0 H LEU A 34 9.557 5.794 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 34 7.179 5.792 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.404 7.710 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.776 7.743 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 34 7.962 9.394 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.744 9.530 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.094 9.276 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.038 7.914 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.880 8.840 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.121 7.130 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.293 7.955 -2.093 1.00 0.00 H new ATOM 549 N ASP A 35 8.429 5.092 -6.733 1.00 0.00 N ATOM 550 CA ASP A 35 8.993 5.023 -8.074 1.00 0.00 C ATOM 551 C ASP A 35 8.721 6.367 -8.752 1.00 0.00 C ATOM 552 O ASP A 35 7.629 6.927 -8.675 1.00 0.00 O ATOM 553 CB ASP A 35 8.270 3.908 -8.827 1.00 0.00 C ATOM 554 CG ASP A 35 8.481 3.857 -10.350 1.00 0.00 C ATOM 555 OD1 ASP A 35 9.517 4.347 -10.847 1.00 0.00 O ATOM 556 OD2 ASP A 35 7.537 3.428 -11.063 1.00 0.00 O ATOM 0 H ASP A 35 7.421 4.939 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 35 10.064 4.821 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.586 2.953 -8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.201 4.004 -8.634 1.00 0.00 H new ATOM 561 N ILE A 36 9.712 6.878 -9.455 1.00 0.00 N ATOM 562 CA ILE A 36 9.609 8.051 -10.302 1.00 0.00 C ATOM 563 C ILE A 36 10.437 7.788 -11.560 1.00 0.00 C ATOM 564 O ILE A 36 11.672 7.736 -11.568 1.00 0.00 O ATOM 565 CB ILE A 36 10.120 9.318 -9.625 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.749 9.509 -8.145 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.697 10.537 -10.479 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.487 10.711 -7.554 1.00 0.00 C ATOM 0 H ILE A 36 10.648 6.472 -9.452 1.00 0.00 H new ATOM 0 HA ILE A 36 8.556 8.217 -10.530 1.00 0.00 H new ATOM 0 HB ILE A 36 11.204 9.215 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.673 9.654 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.000 8.609 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.055 11.453 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.128 10.449 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.610 10.569 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.210 10.829 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.563 10.551 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.215 11.612 -8.104 1.00 0.00 H new ATOM 580 N CYS A 37 9.699 7.659 -12.636 1.00 0.00 N ATOM 581 CA CYS A 37 10.151 7.429 -13.998 1.00 0.00 C ATOM 582 C CYS A 37 9.754 8.597 -14.909 1.00 0.00 C ATOM 583 O CYS A 37 9.057 9.524 -14.500 1.00 0.00 O ATOM 584 CB CYS A 37 9.589 6.082 -14.477 1.00 0.00 C ATOM 585 SG CYS A 37 10.583 4.715 -13.821 1.00 0.00 S ATOM 0 H CYS A 37 8.682 7.716 -12.583 1.00 0.00 H new ATOM 0 HA CYS A 37 11.239 7.379 -14.034 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.554 5.976 -14.152 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.586 6.048 -15.566 1.00 0.00 H new ATOM 0 HG CYS A 37 10.232 4.473 -12.593 1.00 0.00 H new ATOM 591 N GLY A 38 10.189 8.534 -16.164 1.00 0.00 N ATOM 592 CA GLY A 38 9.735 9.394 -17.248 1.00 0.00 C ATOM 593 C GLY A 38 9.327 8.575 -18.467 1.00 0.00 C ATOM 594 O GLY A 38 9.501 7.356 -18.476 1.00 0.00 O ATOM 0 H GLY A 38 10.892 7.858 -16.463 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.890 9.994 -16.910 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.529 10.088 -17.522 1.00 0.00 H new ATOM 598 N GLU A 39 8.835 9.244 -19.503 1.00 0.00 N ATOM 599 CA GLU A 39 8.474 8.712 -20.794 1.00 0.00 C ATOM 600 C GLU A 39 8.637 9.819 -21.854 1.00 0.00 C ATOM 601 O GLU A 39 8.901 10.985 -21.556 1.00 0.00 O ATOM 602 CB GLU A 39 7.025 8.195 -20.744 1.00 0.00 C ATOM 603 CG GLU A 39 6.884 6.914 -21.568 1.00 0.00 C ATOM 604 CD GLU A 39 5.409 6.583 -21.784 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.740 6.221 -20.792 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.980 6.721 -22.952 1.00 0.00 O ATOM 0 H GLU A 39 8.669 10.249 -19.449 1.00 0.00 H new ATOM 0 HA GLU A 39 9.124 7.878 -21.060 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.737 8.003 -19.710 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.347 8.958 -21.128 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.381 7.036 -22.530 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.378 6.088 -21.056 1.00 0.00 H new ATOM 613 N GLY A 40 8.459 9.422 -23.103 1.00 0.00 N ATOM 614 CA GLY A 40 8.644 10.225 -24.313 1.00 0.00 C ATOM 615 C GLY A 40 8.151 9.562 -25.608 1.00 0.00 C ATOM 616 O GLY A 40 8.832 9.639 -26.631 1.00 0.00 O ATOM 0 H GLY A 40 8.162 8.470 -23.319 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.122 11.174 -24.186 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.704 10.456 -24.420 1.00 0.00 H new ATOM 620 N THR A 41 7.026 8.840 -25.572 1.00 0.00 N ATOM 621 CA THR A 41 6.541 8.027 -26.704 1.00 0.00 C ATOM 622 C THR A 41 6.157 8.851 -27.953 1.00 0.00 C ATOM 623 O THR A 41 5.678 9.982 -27.842 1.00 0.00 O ATOM 624 CB THR A 41 5.367 7.118 -26.286 1.00 0.00 C ATOM 625 OG1 THR A 41 4.528 7.729 -25.335 1.00 0.00 O ATOM 626 CG2 THR A 41 5.883 5.796 -25.724 1.00 0.00 C ATOM 0 H THR A 41 6.419 8.800 -24.753 1.00 0.00 H new ATOM 0 HA THR A 41 7.392 7.409 -26.991 1.00 0.00 H new ATOM 0 HB THR A 41 4.781 6.935 -27.186 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.789 7.441 -24.435 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.039 5.169 -25.435 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.473 5.283 -26.484 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.506 5.990 -24.851 1.00 0.00 H new ATOM 634 N PRO A 42 6.336 8.306 -29.177 1.00 0.00 N ATOM 635 CA PRO A 42 6.181 9.048 -30.436 1.00 0.00 C ATOM 636 C PRO A 42 4.704 9.251 -30.835 1.00 0.00 C ATOM 637 O PRO A 42 4.239 8.730 -31.849 1.00 0.00 O ATOM 638 CB PRO A 42 6.993 8.238 -31.459 1.00 0.00 C ATOM 639 CG PRO A 42 6.812 6.803 -30.973 1.00 0.00 C ATOM 640 CD PRO A 42 6.851 6.968 -29.454 1.00 0.00 C ATOM 0 HA PRO A 42 6.548 10.071 -30.359 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.616 8.372 -32.473 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.042 8.533 -31.468 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.869 6.375 -31.312 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.606 6.149 -31.332 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.243 6.208 -28.964 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.867 6.856 -29.076 1.00 0.00 H new ATOM 648 N GLN A 43 3.951 9.994 -30.018 1.00 0.00 N ATOM 649 CA GLN A 43 2.539 10.338 -30.224 1.00 0.00 C ATOM 650 C GLN A 43 2.277 11.829 -29.928 1.00 0.00 C ATOM 651 O GLN A 43 2.294 12.639 -30.846 1.00 0.00 O ATOM 652 CB GLN A 43 1.636 9.395 -29.400 1.00 0.00 C ATOM 653 CG GLN A 43 1.652 7.923 -29.849 1.00 0.00 C ATOM 654 CD GLN A 43 0.951 7.699 -31.187 1.00 0.00 C ATOM 655 OE1 GLN A 43 -0.251 7.519 -31.258 1.00 0.00 O ATOM 656 NE2 GLN A 43 1.652 7.701 -32.298 1.00 0.00 N ATOM 0 H GLN A 43 4.325 10.390 -29.156 1.00 0.00 H new ATOM 0 HA GLN A 43 2.288 10.191 -31.274 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.943 9.444 -28.355 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.611 9.763 -29.449 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.685 7.583 -29.925 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.171 7.311 -29.086 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.661 7.850 -32.264 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.188 7.554 -33.194 1.00 0.00 H new ATOM 665 N VAL A 44 2.060 12.217 -28.662 1.00 0.00 N ATOM 666 CA VAL A 44 1.561 13.564 -28.262 1.00 0.00 C ATOM 667 C VAL A 44 2.566 14.321 -27.363 1.00 0.00 C ATOM 668 O VAL A 44 2.279 15.380 -26.808 1.00 0.00 O ATOM 669 CB VAL A 44 0.155 13.440 -27.611 1.00 0.00 C ATOM 670 CG1 VAL A 44 -0.600 14.776 -27.499 1.00 0.00 C ATOM 671 CG2 VAL A 44 -0.775 12.511 -28.412 1.00 0.00 C ATOM 0 H VAL A 44 2.226 11.601 -27.866 1.00 0.00 H new ATOM 0 HA VAL A 44 1.463 14.171 -29.162 1.00 0.00 H new ATOM 0 HB VAL A 44 0.373 13.045 -26.619 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.572 14.607 -27.035 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.022 15.470 -26.889 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.742 15.198 -28.494 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.746 12.455 -27.919 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.902 12.905 -29.420 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.337 11.514 -28.464 1.00 0.00 H new ATOM 681 N THR A 45 3.770 13.773 -27.198 1.00 0.00 N ATOM 682 CA THR A 45 4.703 13.953 -26.068 1.00 0.00 C ATOM 683 C THR A 45 5.220 15.370 -25.741 1.00 0.00 C ATOM 684 O THR A 45 5.960 15.530 -24.778 1.00 0.00 O ATOM 685 CB THR A 45 5.847 12.943 -26.252 1.00 0.00 C ATOM 686 OG1 THR A 45 6.316 12.488 -25.019 1.00 0.00 O ATOM 687 CG2 THR A 45 7.024 13.406 -27.107 1.00 0.00 C ATOM 0 H THR A 45 4.155 13.142 -27.901 1.00 0.00 H new ATOM 0 HA THR A 45 4.109 13.768 -25.173 1.00 0.00 H new ATOM 0 HB THR A 45 5.384 12.134 -26.817 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.137 12.968 -24.784 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.767 12.611 -27.165 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.672 13.647 -28.110 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.474 14.291 -26.658 1.00 0.00 H new ATOM 695 N GLY A 46 4.832 16.435 -26.452 1.00 0.00 N ATOM 696 CA GLY A 46 5.169 17.822 -26.079 1.00 0.00 C ATOM 697 C GLY A 46 4.528 18.289 -24.759 1.00 0.00 C ATOM 698 O GLY A 46 4.995 19.245 -24.141 1.00 0.00 O ATOM 0 H GLY A 46 4.275 16.364 -27.304 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.252 17.912 -25.997 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.853 18.490 -26.881 1.00 0.00 H new ATOM 702 N PHE A 47 3.464 17.619 -24.314 1.00 0.00 N ATOM 703 CA PHE A 47 2.856 17.773 -22.991 1.00 0.00 C ATOM 704 C PHE A 47 3.841 17.368 -21.876 1.00 0.00 C ATOM 705 O PHE A 47 4.052 16.182 -21.662 1.00 0.00 O ATOM 706 CB PHE A 47 1.592 16.894 -22.933 1.00 0.00 C ATOM 707 CG PHE A 47 0.414 17.239 -23.841 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.367 18.415 -24.624 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.685 16.358 -23.868 1.00 0.00 C ATOM 710 CE1 PHE A 47 -0.763 18.697 -25.414 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.813 16.638 -24.659 1.00 0.00 C ATOM 712 CZ PHE A 47 -1.851 17.808 -25.437 1.00 0.00 C ATOM 0 H PHE A 47 2.983 16.927 -24.888 1.00 0.00 H new ATOM 0 HA PHE A 47 2.595 18.819 -22.832 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.892 15.870 -23.156 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.230 16.904 -21.905 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.202 19.100 -24.616 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.661 15.456 -23.274 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.794 19.600 -26.005 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.649 15.955 -24.669 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.714 18.023 -26.050 1.00 0.00 H new ATOM 722 N PHE A 48 4.423 18.340 -21.159 1.00 0.00 N ATOM 723 CA PHE A 48 5.081 18.111 -19.861 1.00 0.00 C ATOM 724 C PHE A 48 4.012 17.726 -18.826 1.00 0.00 C ATOM 725 O PHE A 48 3.345 18.622 -18.284 1.00 0.00 O ATOM 726 CB PHE A 48 5.892 19.348 -19.405 1.00 0.00 C ATOM 727 CG PHE A 48 6.942 19.042 -18.341 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.576 18.869 -16.990 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.300 18.935 -18.697 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.552 18.573 -16.018 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.274 18.627 -17.732 1.00 0.00 C ATOM 732 CZ PHE A 48 8.902 18.436 -16.390 1.00 0.00 C ATOM 0 H PHE A 48 4.452 19.313 -21.463 1.00 0.00 H new ATOM 0 HA PHE A 48 5.797 17.295 -19.962 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.385 19.787 -20.272 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.203 20.098 -19.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.540 18.964 -16.699 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.597 19.091 -19.724 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.263 18.451 -14.985 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.310 18.537 -18.022 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.647 18.186 -15.650 1.00 0.00 H new ATOM 742 N GLU A 49 3.788 16.431 -18.598 1.00 0.00 N ATOM 743 CA GLU A 49 2.681 15.952 -17.754 1.00 0.00 C ATOM 744 C GLU A 49 3.205 15.067 -16.607 1.00 0.00 C ATOM 745 O GLU A 49 3.839 14.044 -16.878 1.00 0.00 O ATOM 746 CB GLU A 49 1.726 15.155 -18.659 1.00 0.00 C ATOM 747 CG GLU A 49 0.504 15.923 -19.146 1.00 0.00 C ATOM 748 CD GLU A 49 -0.591 16.038 -18.088 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.138 14.996 -17.667 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.930 17.200 -17.771 1.00 0.00 O ATOM 0 H GLU A 49 4.363 15.684 -18.989 1.00 0.00 H new ATOM 0 HA GLU A 49 2.163 16.795 -17.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.283 14.802 -19.527 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.388 14.272 -18.116 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.810 16.923 -19.454 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.098 15.427 -20.028 1.00 0.00 H new ATOM 757 N VAL A 50 2.953 15.436 -15.335 1.00 0.00 N ATOM 758 CA VAL A 50 3.433 14.652 -14.176 1.00 0.00 C ATOM 759 C VAL A 50 2.260 13.959 -13.500 1.00 0.00 C ATOM 760 O VAL A 50 1.308 14.605 -13.048 1.00 0.00 O ATOM 761 CB VAL A 50 4.192 15.482 -13.130 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.804 14.601 -12.031 1.00 0.00 C ATOM 763 CG2 VAL A 50 5.315 16.349 -13.727 1.00 0.00 C ATOM 0 H VAL A 50 2.421 16.269 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 50 4.141 13.928 -14.579 1.00 0.00 H new ATOM 0 HB VAL A 50 3.434 16.141 -12.707 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.331 15.229 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.012 14.053 -11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.504 13.895 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.807 16.907 -12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.043 15.709 -14.225 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.891 17.046 -14.450 1.00 0.00 H new ATOM 773 N THR A 51 2.340 12.637 -13.386 1.00 0.00 N ATOM 774 CA THR A 51 1.240 11.780 -12.935 1.00 0.00 C ATOM 775 C THR A 51 1.717 10.877 -11.800 1.00 0.00 C ATOM 776 O THR A 51 2.801 10.310 -11.894 1.00 0.00 O ATOM 777 CB THR A 51 0.731 10.885 -14.084 1.00 0.00 C ATOM 778 OG1 THR A 51 1.046 11.373 -15.367 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.771 10.697 -14.071 1.00 0.00 C ATOM 0 H THR A 51 3.189 12.117 -13.609 1.00 0.00 H new ATOM 0 HA THR A 51 0.432 12.427 -12.594 1.00 0.00 H new ATOM 0 HB THR A 51 1.246 9.942 -13.899 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.696 10.758 -16.046 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.065 10.058 -14.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.071 10.231 -13.133 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.260 11.666 -14.167 1.00 0.00 H new ATOM 787 N VAL A 52 0.912 10.665 -10.756 1.00 0.00 N ATOM 788 CA VAL A 52 1.170 9.733 -9.638 1.00 0.00 C ATOM 789 C VAL A 52 -0.009 8.787 -9.479 1.00 0.00 C ATOM 790 O VAL A 52 -1.151 9.239 -9.485 1.00 0.00 O ATOM 791 CB VAL A 52 1.471 10.477 -8.323 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.308 11.352 -7.834 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.805 9.506 -7.178 1.00 0.00 C ATOM 0 H VAL A 52 0.023 11.155 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 52 2.062 9.153 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 52 2.325 11.109 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.590 11.846 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.076 12.104 -8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.569 10.728 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.011 10.072 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.959 8.840 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.682 8.917 -7.445 1.00 0.00 H new ATOM 803 N ALA A 53 0.246 7.483 -9.383 1.00 0.00 N ATOM 804 CA ALA A 53 -0.781 6.430 -9.297 1.00 0.00 C ATOM 805 C ALA A 53 -1.978 6.591 -10.283 1.00 0.00 C ATOM 806 O ALA A 53 -3.101 6.208 -9.967 1.00 0.00 O ATOM 807 CB ALA A 53 -1.215 6.313 -7.827 1.00 0.00 C ATOM 0 H ALA A 53 1.196 7.113 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.335 5.493 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.977 5.539 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.353 6.051 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.623 7.266 -7.491 1.00 0.00 H new ATOM 813 N GLY A 54 -1.750 7.183 -11.467 1.00 0.00 N ATOM 814 CA GLY A 54 -2.785 7.464 -12.475 1.00 0.00 C ATOM 815 C GLY A 54 -3.465 8.841 -12.375 1.00 0.00 C ATOM 816 O GLY A 54 -4.501 9.049 -13.000 1.00 0.00 O ATOM 0 H GLY A 54 -0.820 7.486 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.336 7.373 -13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.554 6.695 -12.402 1.00 0.00 H new ATOM 820 N LYS A 55 -2.909 9.797 -11.615 1.00 0.00 N ATOM 821 CA LYS A 55 -3.479 11.137 -11.370 1.00 0.00 C ATOM 822 C LYS A 55 -2.508 12.282 -11.675 1.00 0.00 C ATOM 823 O LYS A 55 -1.417 12.321 -11.110 1.00 0.00 O ATOM 824 CB LYS A 55 -3.947 11.245 -9.924 1.00 0.00 C ATOM 825 CG LYS A 55 -4.868 10.099 -9.474 1.00 0.00 C ATOM 826 CD LYS A 55 -5.935 10.556 -8.470 1.00 0.00 C ATOM 827 CE LYS A 55 -5.313 11.214 -7.231 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.360 11.759 -6.330 1.00 0.00 N ATOM 0 H LYS A 55 -2.019 9.657 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.318 11.242 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.074 11.272 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.472 12.191 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.358 9.668 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.266 9.310 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.611 11.261 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.535 9.699 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.710 10.483 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.642 12.016 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.911 12.198 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.919 12.473 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.985 10.988 -6.018 1.00 0.00 H new ATOM 842 N LEU A 56 -2.902 13.215 -12.542 1.00 0.00 N ATOM 843 CA LEU A 56 -2.183 14.461 -12.832 1.00 0.00 C ATOM 844 C LEU A 56 -1.974 15.290 -11.558 1.00 0.00 C ATOM 845 O LEU A 56 -2.897 15.518 -10.775 1.00 0.00 O ATOM 846 CB LEU A 56 -2.960 15.196 -13.942 1.00 0.00 C ATOM 847 CG LEU A 56 -2.556 16.618 -14.398 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.386 16.940 -15.646 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.878 17.734 -13.393 1.00 0.00 C ATOM 0 H LEU A 56 -3.762 13.123 -13.083 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.174 14.263 -13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.931 14.559 -14.826 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.000 15.249 -13.621 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.476 16.599 -14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.133 17.938 -16.004 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.170 16.209 -16.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.447 16.902 -15.397 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.559 18.693 -13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.952 17.758 -13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.352 17.544 -12.457 1.00 0.00 H new ATOM 861 N VAL A 57 -0.745 15.770 -11.393 1.00 0.00 N ATOM 862 CA VAL A 57 -0.343 16.698 -10.311 1.00 0.00 C ATOM 863 C VAL A 57 0.329 17.962 -10.855 1.00 0.00 C ATOM 864 O VAL A 57 0.381 18.998 -10.183 1.00 0.00 O ATOM 865 CB VAL A 57 0.608 16.023 -9.303 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.456 16.654 -7.909 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.383 14.520 -9.133 1.00 0.00 C ATOM 0 H VAL A 57 0.025 15.526 -12.016 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.266 16.979 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 57 1.602 16.178 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.136 16.164 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.695 17.716 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.570 16.530 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.094 14.126 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.633 14.342 -8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.528 14.020 -10.091 1.00 0.00 H new ATOM 877 N HIS A 58 0.820 17.873 -12.088 1.00 0.00 N ATOM 878 CA HIS A 58 1.554 18.899 -12.805 1.00 0.00 C ATOM 879 C HIS A 58 1.258 18.779 -14.289 1.00 0.00 C ATOM 880 O HIS A 58 1.166 17.676 -14.819 1.00 0.00 O ATOM 881 CB HIS A 58 3.036 18.652 -12.602 1.00 0.00 C ATOM 882 CG HIS A 58 3.937 19.834 -12.572 1.00 0.00 C ATOM 883 ND1 HIS A 58 4.354 20.477 -11.435 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.767 20.184 -13.598 1.00 0.00 C ATOM 885 CE1 HIS A 58 5.441 21.185 -11.762 1.00 0.00 C ATOM 886 NE2 HIS A 58 5.730 21.036 -13.066 1.00 0.00 N ATOM 0 H HIS A 58 0.706 17.026 -12.644 1.00 0.00 H new ATOM 0 HA HIS A 58 1.266 19.886 -12.442 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.160 18.112 -11.663 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.378 17.990 -13.398 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.918 20.425 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.691 19.861 -14.626 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.008 21.793 -11.073 1.00 0.00 H new ATOM 894 N SER A 59 1.137 19.916 -14.956 1.00 0.00 N ATOM 895 CA SER A 59 0.618 19.953 -16.312 1.00 0.00 C ATOM 896 C SER A 59 0.922 21.269 -17.011 1.00 0.00 C ATOM 897 O SER A 59 0.250 22.280 -16.775 1.00 0.00 O ATOM 898 CB SER A 59 -0.894 19.818 -16.232 1.00 0.00 C ATOM 899 OG SER A 59 -1.412 19.628 -17.523 1.00 0.00 O ATOM 0 H SER A 59 1.393 20.828 -14.578 1.00 0.00 H new ATOM 0 HA SER A 59 1.087 19.147 -16.877 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.162 18.977 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.327 20.711 -15.782 1.00 0.00 H new ATOM 0 HG SER A 59 -1.504 18.669 -17.700 1.00 0.00 H new ATOM 905 N LYS A 60 1.872 21.292 -17.944 1.00 0.00 N ATOM 906 CA LYS A 60 1.872 22.377 -18.928 1.00 0.00 C ATOM 907 C LYS A 60 0.729 22.263 -19.942 1.00 0.00 C ATOM 908 O LYS A 60 0.335 23.285 -20.490 1.00 0.00 O ATOM 909 CB LYS A 60 3.234 22.429 -19.622 1.00 0.00 C ATOM 910 CG LYS A 60 4.289 23.127 -18.752 1.00 0.00 C ATOM 911 CD LYS A 60 4.192 24.666 -18.770 1.00 0.00 C ATOM 912 CE LYS A 60 5.276 25.162 -17.811 1.00 0.00 C ATOM 913 NZ LYS A 60 5.291 26.628 -17.508 1.00 0.00 N ATOM 0 H LYS A 60 2.621 20.606 -18.041 1.00 0.00 H new ATOM 0 HA LYS A 60 1.699 23.313 -18.396 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.564 21.416 -19.852 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.139 22.956 -20.571 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.188 22.778 -17.724 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.281 22.831 -19.093 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.351 25.056 -19.775 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.205 25.000 -18.451 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.170 24.622 -16.870 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.247 24.891 -18.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.695 26.783 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.869 27.123 -18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.319 26.998 -17.535 1.00 0.00 H new ATOM 927 N LYS A 61 0.127 21.084 -20.154 1.00 0.00 N ATOM 928 CA LYS A 61 -0.991 20.901 -21.105 1.00 0.00 C ATOM 929 C LYS A 61 -2.393 21.268 -20.591 1.00 0.00 C ATOM 930 O LYS A 61 -3.328 21.264 -21.393 1.00 0.00 O ATOM 931 CB LYS A 61 -0.928 19.498 -21.719 1.00 0.00 C ATOM 932 CG LYS A 61 -1.333 18.320 -20.818 1.00 0.00 C ATOM 933 CD LYS A 61 -2.817 18.076 -20.477 1.00 0.00 C ATOM 934 CE LYS A 61 -3.732 17.687 -21.650 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.944 18.788 -22.624 1.00 0.00 N ATOM 0 H LYS A 61 0.398 20.226 -19.673 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.836 21.648 -21.884 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.569 19.486 -22.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.091 19.325 -22.064 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.956 17.411 -21.286 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.800 18.437 -19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.870 17.288 -19.726 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.216 18.981 -20.018 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.301 16.831 -22.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.698 17.368 -21.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.944 18.812 -22.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.688 19.695 -22.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.349 18.630 -23.462 1.00 0.00 H new ATOM 949 N ARG A 62 -2.574 21.541 -19.293 1.00 0.00 N ATOM 950 CA ARG A 62 -3.790 22.126 -18.698 1.00 0.00 C ATOM 951 C ARG A 62 -3.641 23.598 -18.325 1.00 0.00 C ATOM 952 O ARG A 62 -4.640 24.287 -18.164 1.00 0.00 O ATOM 953 CB ARG A 62 -4.239 21.269 -17.494 1.00 0.00 C ATOM 954 CG ARG A 62 -3.716 21.641 -16.091 1.00 0.00 C ATOM 955 CD ARG A 62 -4.565 22.660 -15.322 1.00 0.00 C ATOM 956 NE ARG A 62 -3.990 22.984 -14.002 1.00 0.00 N ATOM 957 CZ ARG A 62 -4.305 23.998 -13.212 1.00 0.00 C ATOM 958 NH1 ARG A 62 -5.152 24.921 -13.571 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.759 24.107 -12.036 1.00 0.00 N ATOM 0 H ARG A 62 -1.851 21.354 -18.598 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.567 22.110 -19.462 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.328 21.292 -17.459 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.948 20.238 -17.694 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.643 20.731 -15.496 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.706 22.037 -16.192 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.655 23.573 -15.911 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.572 22.265 -15.190 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.266 22.353 -13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.597 24.876 -14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.370 25.688 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.085 23.409 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.005 24.890 -11.430 1.00 0.00 H new ATOM 973 N GLY A 63 -2.401 24.045 -18.123 1.00 0.00 N ATOM 974 CA GLY A 63 -2.107 25.327 -17.476 1.00 0.00 C ATOM 975 C GLY A 63 -1.989 25.216 -15.958 1.00 0.00 C ATOM 976 O GLY A 63 -2.548 26.018 -15.218 1.00 0.00 O ATOM 0 H GLY A 63 -1.568 23.527 -18.404 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.176 25.726 -17.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.893 26.041 -17.723 1.00 0.00 H new ATOM 980 N ASP A 64 -1.261 24.204 -15.482 1.00 0.00 N ATOM 981 CA ASP A 64 -0.785 24.148 -14.095 1.00 0.00 C ATOM 982 C ASP A 64 0.513 24.935 -13.896 1.00 0.00 C ATOM 983 O ASP A 64 0.701 25.546 -12.848 1.00 0.00 O ATOM 984 CB ASP A 64 -0.572 22.690 -13.665 1.00 0.00 C ATOM 985 CG ASP A 64 -0.518 22.556 -12.146 1.00 0.00 C ATOM 986 OD1 ASP A 64 -1.606 22.496 -11.528 1.00 0.00 O ATOM 987 OD2 ASP A 64 0.597 22.502 -11.568 1.00 0.00 O ATOM 0 H ASP A 64 -0.984 23.400 -16.045 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.553 24.609 -13.474 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.380 22.072 -14.057 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.355 22.314 -14.097 1.00 0.00 H new ATOM 992 N GLY A 65 1.424 24.886 -14.874 1.00 0.00 N ATOM 993 CA GLY A 65 2.783 25.414 -14.799 1.00 0.00 C ATOM 994 C GLY A 65 3.849 24.306 -14.771 1.00 0.00 C ATOM 995 O GLY A 65 3.519 23.123 -14.836 1.00 0.00 O ATOM 0 H GLY A 65 1.221 24.458 -15.777 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.963 26.065 -15.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.881 26.029 -13.905 1.00 0.00 H new ATOM 999 N TYR A 66 5.121 24.700 -14.725 1.00 0.00 N ATOM 1000 CA TYR A 66 6.290 23.905 -14.349 1.00 0.00 C ATOM 1001 C TYR A 66 6.414 23.946 -12.811 1.00 0.00 C ATOM 1002 O TYR A 66 5.450 24.225 -12.089 1.00 0.00 O ATOM 1003 CB TYR A 66 7.562 24.481 -15.025 1.00 0.00 C ATOM 1004 CG TYR A 66 7.851 24.166 -16.484 1.00 0.00 C ATOM 1005 CD1 TYR A 66 7.608 22.879 -17.015 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.487 25.137 -17.286 1.00 0.00 C ATOM 1007 CE1 TYR A 66 7.974 22.579 -18.341 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.852 24.835 -18.615 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.597 23.555 -19.148 1.00 0.00 C ATOM 1010 OH TYR A 66 8.969 23.266 -20.423 1.00 0.00 O ATOM 0 H TYR A 66 5.381 25.656 -14.968 1.00 0.00 H new ATOM 0 HA TYR A 66 6.179 22.873 -14.682 1.00 0.00 H new ATOM 0 HB2 TYR A 66 7.518 25.566 -14.929 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.420 24.144 -14.443 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.140 22.123 -16.402 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.695 26.116 -16.881 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.777 21.596 -18.743 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.328 25.587 -19.226 1.00 0.00 H new ATOM 0 HH TYR A 66 9.382 24.056 -20.830 1.00 0.00 H new ATOM 1020 N VAL A 67 7.608 23.695 -12.275 1.00 0.00 N ATOM 1021 CA VAL A 67 8.059 24.471 -11.120 1.00 0.00 C ATOM 1022 C VAL A 67 8.586 25.822 -11.573 1.00 0.00 C ATOM 1023 O VAL A 67 9.763 26.039 -11.828 1.00 0.00 O ATOM 1024 CB VAL A 67 9.005 23.744 -10.182 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.298 22.466 -9.720 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.381 23.305 -10.713 1.00 0.00 C ATOM 0 H VAL A 67 8.261 22.986 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 67 7.180 24.631 -10.496 1.00 0.00 H new ATOM 0 HB VAL A 67 9.226 24.486 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.949 21.915 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.374 22.728 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.066 21.845 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.933 22.801 -9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.246 22.622 -11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.940 24.181 -11.044 1.00 0.00 H new ATOM 1036 N ASP A 68 7.635 26.720 -11.755 1.00 0.00 N ATOM 1037 CA ASP A 68 7.868 28.103 -12.127 1.00 0.00 C ATOM 1038 C ASP A 68 8.395 28.921 -10.921 1.00 0.00 C ATOM 1039 O ASP A 68 9.070 29.932 -11.086 1.00 0.00 O ATOM 1040 CB ASP A 68 6.553 28.647 -12.673 1.00 0.00 C ATOM 1041 CG ASP A 68 5.867 27.785 -13.764 1.00 0.00 C ATOM 1042 OD1 ASP A 68 6.270 27.700 -14.955 1.00 0.00 O ATOM 1043 OD2 ASP A 68 4.901 27.091 -13.391 1.00 0.00 O ATOM 0 H ASP A 68 6.646 26.499 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 68 8.641 28.180 -12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.858 28.767 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.735 29.641 -13.083 1.00 0.00 H new ATOM 1048 N THR A 69 8.116 28.458 -9.693 1.00 0.00 N ATOM 1049 CA THR A 69 8.550 28.977 -8.402 1.00 0.00 C ATOM 1050 C THR A 69 8.768 27.860 -7.368 1.00 0.00 C ATOM 1051 O THR A 69 8.278 26.737 -7.522 1.00 0.00 O ATOM 1052 CB THR A 69 7.507 29.952 -7.852 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.303 29.351 -7.431 1.00 0.00 O ATOM 1054 CG2 THR A 69 7.119 31.102 -8.773 1.00 0.00 C ATOM 0 H THR A 69 7.526 27.634 -9.576 1.00 0.00 H new ATOM 0 HA THR A 69 9.501 29.483 -8.568 1.00 0.00 H new ATOM 0 HB THR A 69 8.055 30.348 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.694 30.040 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.375 31.728 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.002 31.699 -9.001 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.703 30.703 -9.698 1.00 0.00 H new ATOM 1062 N GLU A 70 9.412 28.186 -6.243 1.00 0.00 N ATOM 1063 CA GLU A 70 9.450 27.319 -5.049 1.00 0.00 C ATOM 1064 C GLU A 70 8.049 26.943 -4.570 1.00 0.00 C ATOM 1065 O GLU A 70 7.725 25.772 -4.406 1.00 0.00 O ATOM 1066 CB GLU A 70 10.227 28.012 -3.912 1.00 0.00 C ATOM 1067 CG GLU A 70 11.587 27.353 -3.637 1.00 0.00 C ATOM 1068 CD GLU A 70 11.507 26.144 -2.685 1.00 0.00 C ATOM 1069 OE1 GLU A 70 10.460 25.452 -2.651 1.00 0.00 O ATOM 1070 OE2 GLU A 70 12.474 25.914 -1.923 1.00 0.00 O ATOM 0 H GLU A 70 9.925 29.060 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 70 9.961 26.398 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.381 29.060 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.627 27.991 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.023 27.031 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.262 28.096 -3.211 1.00 0.00 H new ATOM 1077 N SER A 71 7.154 27.920 -4.445 1.00 0.00 N ATOM 1078 CA SER A 71 5.782 27.631 -3.986 1.00 0.00 C ATOM 1079 C SER A 71 5.032 26.666 -4.916 1.00 0.00 C ATOM 1080 O SER A 71 4.182 25.893 -4.475 1.00 0.00 O ATOM 1081 CB SER A 71 4.978 28.920 -3.833 1.00 0.00 C ATOM 1082 OG SER A 71 4.091 28.810 -2.737 1.00 0.00 O ATOM 0 H SER A 71 7.340 28.902 -4.648 1.00 0.00 H new ATOM 0 HA SER A 71 5.883 27.142 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.652 29.763 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.418 29.119 -4.746 1.00 0.00 H new ATOM 0 HG SER A 71 3.580 29.641 -2.645 1.00 0.00 H new ATOM 1088 N LYS A 72 5.372 26.692 -6.210 1.00 0.00 N ATOM 1089 CA LYS A 72 4.890 25.803 -7.276 1.00 0.00 C ATOM 1090 C LYS A 72 5.455 24.385 -7.168 1.00 0.00 C ATOM 1091 O LYS A 72 4.707 23.423 -7.342 1.00 0.00 O ATOM 1092 CB LYS A 72 5.249 26.435 -8.633 1.00 0.00 C ATOM 1093 CG LYS A 72 4.069 27.186 -9.272 1.00 0.00 C ATOM 1094 CD LYS A 72 3.541 26.445 -10.501 1.00 0.00 C ATOM 1095 CE LYS A 72 2.987 25.052 -10.191 1.00 0.00 C ATOM 1096 NZ LYS A 72 2.710 24.336 -11.457 1.00 0.00 N ATOM 0 H LYS A 72 6.036 27.381 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 72 3.809 25.700 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.082 27.125 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.588 25.654 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.268 27.300 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.385 28.189 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.757 27.043 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.345 26.352 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.703 24.489 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.074 25.135 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.094 23.520 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.236 24.979 -12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.605 24.006 -11.872 1.00 0.00 H new ATOM 1110 N PHE A 73 6.749 24.264 -6.877 1.00 0.00 N ATOM 1111 CA PHE A 73 7.425 23.025 -6.472 1.00 0.00 C ATOM 1112 C PHE A 73 6.776 22.428 -5.224 1.00 0.00 C ATOM 1113 O PHE A 73 6.248 21.315 -5.270 1.00 0.00 O ATOM 1114 CB PHE A 73 8.929 23.316 -6.296 1.00 0.00 C ATOM 1115 CG PHE A 73 9.804 22.210 -5.731 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.958 20.983 -6.407 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.538 22.448 -4.553 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.847 20.010 -5.914 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.410 21.471 -4.047 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.563 20.252 -4.728 1.00 0.00 C ATOM 0 H PHE A 73 7.386 25.060 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 73 7.318 22.266 -7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.332 23.597 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.028 24.186 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.392 20.789 -7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.429 23.389 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.979 19.079 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.961 21.656 -3.137 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.232 19.499 -4.340 1.00 0.00 H new ATOM 1130 N ARG A 74 6.713 23.171 -4.120 1.00 0.00 N ATOM 1131 CA ARG A 74 6.199 22.690 -2.839 1.00 0.00 C ATOM 1132 C ARG A 74 4.726 22.279 -2.867 1.00 0.00 C ATOM 1133 O ARG A 74 4.362 21.391 -2.105 1.00 0.00 O ATOM 1134 CB ARG A 74 6.532 23.715 -1.739 1.00 0.00 C ATOM 1135 CG ARG A 74 7.477 23.156 -0.668 1.00 0.00 C ATOM 1136 CD ARG A 74 8.851 22.805 -1.251 1.00 0.00 C ATOM 1137 NE ARG A 74 9.807 22.456 -0.190 1.00 0.00 N ATOM 1138 CZ ARG A 74 10.827 23.184 0.242 1.00 0.00 C ATOM 1139 NH1 ARG A 74 11.053 24.391 -0.174 1.00 0.00 N ATOM 1140 NH2 ARG A 74 11.648 22.692 1.122 1.00 0.00 N ATOM 0 H ARG A 74 7.024 24.142 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 74 6.708 21.755 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.987 24.594 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.608 24.044 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.597 23.889 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.034 22.267 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.752 21.969 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.232 23.650 -1.824 1.00 0.00 H new ATOM 0 HE ARG A 74 9.670 21.553 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.433 24.818 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.851 24.914 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.507 21.747 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.433 23.251 1.455 1.00 0.00 H new ATOM 1154 N LYS A 75 3.906 22.784 -3.794 1.00 0.00 N ATOM 1155 CA LYS A 75 2.524 22.334 -4.025 1.00 0.00 C ATOM 1156 C LYS A 75 2.439 20.882 -4.499 1.00 0.00 C ATOM 1157 O LYS A 75 1.462 20.203 -4.207 1.00 0.00 O ATOM 1158 CB LYS A 75 1.856 23.340 -4.992 1.00 0.00 C ATOM 1159 CG LYS A 75 0.563 22.914 -5.722 1.00 0.00 C ATOM 1160 CD LYS A 75 0.801 22.139 -7.038 1.00 0.00 C ATOM 1161 CE LYS A 75 -0.478 22.172 -7.896 1.00 0.00 C ATOM 1162 NZ LYS A 75 -0.335 21.507 -9.220 1.00 0.00 N ATOM 0 H LYS A 75 4.189 23.536 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 75 1.977 22.326 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.635 24.246 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.591 23.609 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.031 22.294 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.027 23.804 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.631 22.582 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.078 21.108 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.286 21.691 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.772 23.210 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.256 21.495 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.353 22.030 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.002 20.531 -9.084 1.00 0.00 H new ATOM 1176 N LEU A 76 3.468 20.397 -5.196 1.00 0.00 N ATOM 1177 CA LEU A 76 3.582 18.986 -5.586 1.00 0.00 C ATOM 1178 C LEU A 76 4.330 18.175 -4.545 1.00 0.00 C ATOM 1179 O LEU A 76 3.857 17.130 -4.105 1.00 0.00 O ATOM 1180 CB LEU A 76 4.260 18.922 -6.966 1.00 0.00 C ATOM 1181 CG LEU A 76 4.127 17.554 -7.663 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.060 17.760 -9.175 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.303 16.620 -7.379 1.00 0.00 C ATOM 0 H LEU A 76 4.250 20.972 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 76 2.589 18.540 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.828 19.690 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.318 19.160 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 76 3.220 17.094 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.966 16.793 -9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.197 18.379 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.970 18.255 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.150 15.674 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.226 17.081 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.373 16.438 -6.306 1.00 0.00 H new ATOM 1195 N VAL A 77 5.461 18.703 -4.095 1.00 0.00 N ATOM 1196 CA VAL A 77 6.321 18.016 -3.119 1.00 0.00 C ATOM 1197 C VAL A 77 5.558 17.710 -1.835 1.00 0.00 C ATOM 1198 O VAL A 77 5.648 16.612 -1.288 1.00 0.00 O ATOM 1199 CB VAL A 77 7.574 18.845 -2.808 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.531 18.122 -1.875 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.395 19.143 -4.057 1.00 0.00 C ATOM 0 H VAL A 77 5.813 19.614 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 77 6.635 17.072 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 77 7.183 19.756 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.401 18.751 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.028 17.907 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.852 17.188 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.271 19.732 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.715 18.207 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.787 19.704 -4.767 1.00 0.00 H new ATOM 1211 N THR A 78 4.714 18.647 -1.404 1.00 0.00 N ATOM 1212 CA THR A 78 3.844 18.458 -0.248 1.00 0.00 C ATOM 1213 C THR A 78 2.790 17.401 -0.498 1.00 0.00 C ATOM 1214 O THR A 78 2.552 16.561 0.369 1.00 0.00 O ATOM 1215 CB THR A 78 3.204 19.783 0.203 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.228 20.706 0.474 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.390 19.674 1.490 1.00 0.00 C ATOM 0 H THR A 78 4.616 19.560 -1.849 1.00 0.00 H new ATOM 0 HA THR A 78 4.476 18.100 0.565 1.00 0.00 H new ATOM 0 HB THR A 78 2.538 20.083 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.435 21.213 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.972 20.649 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.580 18.958 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.035 19.337 2.301 1.00 0.00 H new ATOM 1225 N ALA A 79 2.210 17.366 -1.697 1.00 0.00 N ATOM 1226 CA ALA A 79 1.111 16.447 -1.961 1.00 0.00 C ATOM 1227 C ALA A 79 1.563 15.002 -2.140 1.00 0.00 C ATOM 1228 O ALA A 79 0.859 14.073 -1.738 1.00 0.00 O ATOM 1229 CB ALA A 79 0.303 16.947 -3.163 1.00 0.00 C ATOM 0 H ALA A 79 2.479 17.953 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 79 0.470 16.436 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.519 16.259 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.097 17.938 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.949 17.000 -4.039 1.00 0.00 H new ATOM 1235 N ILE A 80 2.786 14.819 -2.632 1.00 0.00 N ATOM 1236 CA ILE A 80 3.380 13.488 -2.732 1.00 0.00 C ATOM 1237 C ILE A 80 3.807 13.004 -1.345 1.00 0.00 C ATOM 1238 O ILE A 80 3.561 11.841 -1.026 1.00 0.00 O ATOM 1239 CB ILE A 80 4.547 13.475 -3.734 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.140 13.889 -5.167 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.206 12.082 -3.763 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.182 12.938 -5.895 1.00 0.00 C ATOM 0 H ILE A 80 3.384 15.574 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 80 2.632 12.794 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 80 5.257 14.224 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.677 14.875 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.045 13.990 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.031 12.084 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.585 11.838 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.469 11.337 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.967 13.329 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.643 11.955 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.254 12.853 -5.330 1.00 0.00 H new ATOM 1254 N LYS A 81 4.362 13.880 -0.484 1.00 0.00 N ATOM 1255 CA LYS A 81 4.795 13.459 0.863 1.00 0.00 C ATOM 1256 C LYS A 81 3.584 13.072 1.697 1.00 0.00 C ATOM 1257 O LYS A 81 3.590 12.067 2.401 1.00 0.00 O ATOM 1258 CB LYS A 81 5.542 14.594 1.575 1.00 0.00 C ATOM 1259 CG LYS A 81 6.253 14.074 2.844 1.00 0.00 C ATOM 1260 CD LYS A 81 7.027 15.170 3.585 1.00 0.00 C ATOM 1261 CE LYS A 81 8.260 15.622 2.800 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.520 14.963 3.251 1.00 0.00 N ATOM 0 H LYS A 81 4.519 14.866 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 81 5.463 12.605 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.274 15.034 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.841 15.384 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.513 13.640 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.940 13.274 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.372 16.024 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.334 14.801 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.106 15.411 1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.368 16.702 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.310 15.635 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.418 14.660 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.711 14.134 2.653 1.00 0.00 H new ATOM 1276 N ALA A 82 2.545 13.895 1.599 1.00 0.00 N ATOM 1277 CA ALA A 82 1.291 13.730 2.326 1.00 0.00 C ATOM 1278 C ALA A 82 0.530 12.480 1.870 1.00 0.00 C ATOM 1279 O ALA A 82 0.053 11.719 2.708 1.00 0.00 O ATOM 1280 CB ALA A 82 0.445 15.000 2.175 1.00 0.00 C ATOM 0 H ALA A 82 2.552 14.717 0.996 1.00 0.00 H new ATOM 0 HA ALA A 82 1.514 13.581 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.493 14.879 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.992 15.852 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.234 15.173 1.120 1.00 0.00 H new ATOM 1286 N ALA A 83 0.471 12.219 0.561 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.055 10.962 0.040 1.00 0.00 C ATOM 1288 C ALA A 83 0.727 9.747 0.549 1.00 0.00 C ATOM 1289 O ALA A 83 0.131 8.743 0.931 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.089 11.016 -1.491 1.00 0.00 C ATOM 0 H ALA A 83 0.785 12.870 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.072 10.838 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.482 10.077 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.729 11.838 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.920 11.172 -1.872 1.00 0.00 H new ATOM 1296 N LEU A 84 2.053 9.866 0.593 1.00 0.00 N ATOM 1297 CA LEU A 84 2.943 8.775 0.978 1.00 0.00 C ATOM 1298 C LEU A 84 2.769 8.410 2.446 1.00 0.00 C ATOM 1299 O LEU A 84 2.427 7.276 2.764 1.00 0.00 O ATOM 1300 CB LEU A 84 4.395 9.163 0.650 1.00 0.00 C ATOM 1301 CG LEU A 84 5.420 8.029 0.585 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.813 7.486 1.959 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.931 6.900 -0.331 1.00 0.00 C ATOM 0 H LEU A 84 2.543 10.730 0.360 1.00 0.00 H new ATOM 0 HA LEU A 84 2.685 7.883 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.399 9.678 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.731 9.881 1.398 1.00 0.00 H new ATOM 0 HG LEU A 84 6.325 8.462 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.542 6.685 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.249 8.287 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.928 7.098 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.677 6.106 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.992 6.501 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.776 7.289 -1.337 1.00 0.00 H new ATOM 1315 N ALA A 85 2.960 9.381 3.336 1.00 0.00 N ATOM 1316 CA ALA A 85 2.890 9.165 4.786 1.00 0.00 C ATOM 1317 C ALA A 85 1.485 8.808 5.315 1.00 0.00 C ATOM 1318 O ALA A 85 1.347 8.347 6.445 1.00 0.00 O ATOM 1319 CB ALA A 85 3.463 10.402 5.487 1.00 0.00 C ATOM 0 H ALA A 85 3.169 10.345 3.075 1.00 0.00 H new ATOM 0 HA ALA A 85 3.487 8.282 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.420 10.261 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.499 10.546 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.878 11.280 5.212 1.00 0.00 H new ATOM 1325 N GLN A 86 0.451 8.985 4.490 1.00 0.00 N ATOM 1326 CA GLN A 86 -0.934 8.615 4.800 1.00 0.00 C ATOM 1327 C GLN A 86 -1.290 7.228 4.250 1.00 0.00 C ATOM 1328 O GLN A 86 -1.879 6.411 4.951 1.00 0.00 O ATOM 1329 CB GLN A 86 -1.848 9.757 4.332 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.323 9.632 4.755 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.232 9.006 3.701 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.057 8.154 3.971 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.166 9.432 2.457 1.00 0.00 N ATOM 0 H GLN A 86 0.555 9.400 3.564 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.078 8.502 5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.454 10.697 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.802 9.815 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.378 9.034 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.703 10.624 5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.485 10.146 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.796 9.048 1.752 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.819 6.928 3.043 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.806 5.582 2.463 1.00 0.00 C ATOM 1344 C CYS A 87 0.004 4.597 3.311 1.00 0.00 C ATOM 1345 O CYS A 87 -0.382 3.446 3.435 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.214 5.689 1.054 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.408 4.135 0.137 1.00 0.00 S ATOM 0 H CYS A 87 -0.424 7.633 2.421 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.824 5.194 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.704 6.497 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.843 5.945 1.120 1.00 0.00 H new ATOM 0 HG CYS A 87 0.103 4.266 -1.051 1.00 0.00 H new ATOM 1353 N GLN A 88 1.093 5.054 3.936 1.00 0.00 N ATOM 1354 CA GLN A 88 1.993 4.245 4.775 1.00 0.00 C ATOM 1355 C GLN A 88 1.327 3.516 5.961 1.00 0.00 C ATOM 1356 O GLN A 88 1.891 2.545 6.468 1.00 0.00 O ATOM 1357 CB GLN A 88 3.162 5.145 5.228 1.00 0.00 C ATOM 1358 CG GLN A 88 4.184 4.451 6.142 1.00 0.00 C ATOM 1359 CD GLN A 88 5.446 5.282 6.336 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.458 6.343 6.936 1.00 0.00 O ATOM 1361 NE2 GLN A 88 6.570 4.841 5.816 1.00 0.00 N ATOM 0 H GLN A 88 1.385 6.029 3.872 1.00 0.00 H new ATOM 0 HA GLN A 88 2.350 3.419 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.679 5.519 4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.756 6.011 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.727 4.257 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.451 3.484 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.585 3.956 5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.427 5.384 5.919 1.00 0.00 H new TER 1370 GLN A 88