USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 640 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 171:sc= 1.55 (180deg=1.4) USER MOD Set 1.3: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 21 GLN : amide:sc= 1 K(o=1.5,f=-4.6) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -169:sc= 0.536! (180deg=-0.651!) USER MOD Single : A 10 SER OG : rot 36:sc= 0.82 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.218 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 19 TYR OH : rot -25:sc= 0.104 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 0.946 (180deg=0.2) USER MOD Single : A 28 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-1.9) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0449 USER MOD Single : A 37 CYS SG : rot 75:sc= 0.556 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 0.81 (180deg=-0.6) USER MOD Single : A 58 HIS : no HE2:sc= 0.253 K(o=0.25,f=-3.7!) USER MOD Single : A 59 SER OG : rot -59:sc= 1.24 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 71 SER OG : rot 180:sc= 0.575 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 2.93 (180deg=2.6) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0.945 (180deg=-0.0978) USER MOD Single : A 78 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= -0.123! (180deg=-0.333!) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 87 CYS SG : rot -160:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.098 1.722 -0.844 1.00 0.00 N ATOM 21 CA ALA A 2 4.927 2.680 -1.586 1.00 0.00 C ATOM 22 C ALA A 2 4.146 3.328 -2.743 1.00 0.00 C ATOM 23 O ALA A 2 3.189 2.741 -3.253 1.00 0.00 O ATOM 24 CB ALA A 2 6.192 1.973 -2.095 1.00 0.00 C ATOM 0 HA ALA A 2 5.217 3.486 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.809 2.683 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.757 1.583 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.910 1.151 -2.752 1.00 0.00 H new ATOM 30 N LEU A 3 4.541 4.540 -3.153 1.00 0.00 N ATOM 31 CA LEU A 3 3.759 5.424 -4.025 1.00 0.00 C ATOM 32 C LEU A 3 4.356 5.527 -5.443 1.00 0.00 C ATOM 33 O LEU A 3 5.476 5.988 -5.624 1.00 0.00 O ATOM 34 CB LEU A 3 3.675 6.809 -3.366 1.00 0.00 C ATOM 35 CG LEU A 3 2.401 7.603 -3.651 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.169 7.071 -2.928 1.00 0.00 C ATOM 37 CD2 LEU A 3 2.632 9.054 -3.227 1.00 0.00 C ATOM 0 H LEU A 3 5.437 4.943 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 3 2.761 5.002 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.769 6.684 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.530 7.400 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 3 2.200 7.512 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.305 7.686 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.983 6.042 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.336 7.104 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.733 9.638 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.863 9.090 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.465 9.470 -3.793 1.00 0.00 H new ATOM 49 N ALA A 4 3.593 5.070 -6.427 1.00 0.00 N ATOM 50 CA ALA A 4 3.912 4.943 -7.851 1.00 0.00 C ATOM 51 C ALA A 4 3.726 6.244 -8.666 1.00 0.00 C ATOM 52 O ALA A 4 2.586 6.609 -8.961 1.00 0.00 O ATOM 53 CB ALA A 4 3.008 3.819 -8.377 1.00 0.00 C ATOM 0 H ALA A 4 2.645 4.747 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 4 4.972 4.719 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.195 3.670 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.223 2.897 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.963 4.092 -8.227 1.00 0.00 H new ATOM 59 N VAL A 5 4.801 6.919 -9.095 1.00 0.00 N ATOM 60 CA VAL A 5 4.753 8.181 -9.858 1.00 0.00 C ATOM 61 C VAL A 5 5.240 7.965 -11.292 1.00 0.00 C ATOM 62 O VAL A 5 6.164 7.200 -11.564 1.00 0.00 O ATOM 63 CB VAL A 5 5.558 9.314 -9.191 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.354 10.703 -9.817 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.319 9.495 -7.690 1.00 0.00 C ATOM 0 H VAL A 5 5.753 6.598 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 5 3.709 8.494 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 5 6.572 8.955 -9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.959 11.435 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.655 10.678 -10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.303 10.982 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.933 10.316 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.267 9.720 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.587 8.578 -7.166 1.00 0.00 H new ATOM 75 N ARG A 6 4.615 8.665 -12.228 1.00 0.00 N ATOM 76 CA ARG A 6 4.829 8.637 -13.684 1.00 0.00 C ATOM 77 C ARG A 6 4.733 10.052 -14.284 1.00 0.00 C ATOM 78 O ARG A 6 4.005 10.895 -13.755 1.00 0.00 O ATOM 79 CB ARG A 6 3.784 7.675 -14.307 1.00 0.00 C ATOM 80 CG ARG A 6 4.370 6.449 -15.026 1.00 0.00 C ATOM 81 CD ARG A 6 5.276 5.541 -14.177 1.00 0.00 C ATOM 82 NE ARG A 6 4.586 4.698 -13.166 1.00 0.00 N ATOM 83 CZ ARG A 6 5.176 4.117 -12.125 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.359 4.453 -11.734 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.601 3.201 -11.405 1.00 0.00 N ATOM 0 H ARG A 6 3.881 9.326 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 6 5.832 8.275 -13.909 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.117 7.329 -13.518 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.175 8.236 -15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.545 5.849 -15.411 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.941 6.796 -15.887 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.833 4.887 -14.848 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.006 6.167 -13.663 1.00 0.00 H new ATOM 0 HE ARG A 6 3.583 4.554 -13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.871 5.185 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.782 3.987 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.654 2.897 -11.629 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.097 2.786 -10.616 1.00 0.00 H new ATOM 99 N VAL A 7 5.402 10.311 -15.412 1.00 0.00 N ATOM 100 CA VAL A 7 5.368 11.591 -16.141 1.00 0.00 C ATOM 101 C VAL A 7 5.397 11.291 -17.631 1.00 0.00 C ATOM 102 O VAL A 7 6.353 10.679 -18.106 1.00 0.00 O ATOM 103 CB VAL A 7 6.544 12.538 -15.807 1.00 0.00 C ATOM 104 CG1 VAL A 7 6.372 13.933 -16.418 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.799 12.707 -14.307 1.00 0.00 C ATOM 0 H VAL A 7 6.001 9.617 -15.860 1.00 0.00 H new ATOM 0 HA VAL A 7 4.457 12.106 -15.835 1.00 0.00 H new ATOM 0 HB VAL A 7 7.405 12.040 -16.252 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.226 14.555 -16.151 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.309 13.850 -17.503 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.458 14.388 -16.035 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.639 13.385 -14.155 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.909 13.119 -13.831 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.031 11.738 -13.866 1.00 0.00 H new ATOM 115 N VAL A 8 4.363 11.702 -18.357 1.00 0.00 N ATOM 116 CA VAL A 8 4.403 11.743 -19.829 1.00 0.00 C ATOM 117 C VAL A 8 5.081 13.016 -20.311 1.00 0.00 C ATOM 118 O VAL A 8 4.647 14.111 -19.956 1.00 0.00 O ATOM 119 CB VAL A 8 3.025 11.514 -20.471 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.939 12.506 -20.063 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.112 11.468 -22.002 1.00 0.00 C ATOM 0 H VAL A 8 3.479 12.015 -17.955 1.00 0.00 H new ATOM 0 HA VAL A 8 5.011 10.903 -20.166 1.00 0.00 H new ATOM 0 HB VAL A 8 2.720 10.545 -20.076 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.008 12.256 -20.571 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.788 12.457 -18.985 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.244 13.515 -20.341 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.118 11.305 -22.418 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.510 12.413 -22.372 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.770 10.654 -22.305 1.00 0.00 H new ATOM 131 N TYR A 9 6.161 12.907 -21.093 1.00 0.00 N ATOM 132 CA TYR A 9 6.859 14.082 -21.628 1.00 0.00 C ATOM 133 C TYR A 9 7.189 13.964 -23.116 1.00 0.00 C ATOM 134 O TYR A 9 7.509 12.892 -23.624 1.00 0.00 O ATOM 135 CB TYR A 9 8.154 14.319 -20.834 1.00 0.00 C ATOM 136 CG TYR A 9 8.938 15.586 -21.177 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.296 16.838 -21.182 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.317 15.535 -21.451 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.996 18.024 -21.437 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.029 16.729 -21.716 1.00 0.00 C ATOM 141 CZ TYR A 9 10.372 17.971 -21.719 1.00 0.00 C ATOM 142 OH TYR A 9 11.068 19.117 -21.930 1.00 0.00 O ATOM 0 H TYR A 9 6.571 12.015 -21.370 1.00 0.00 H new ATOM 0 HA TYR A 9 6.179 14.927 -21.520 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.904 14.348 -19.773 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.809 13.461 -20.984 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.235 16.886 -20.984 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.832 14.586 -21.459 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.482 18.973 -21.417 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.089 16.685 -21.918 1.00 0.00 H new ATOM 0 HH TYR A 9 12.007 18.901 -22.111 1.00 0.00 H new ATOM 152 N SER A 10 7.210 15.118 -23.773 1.00 0.00 N ATOM 153 CA SER A 10 7.804 15.343 -25.085 1.00 0.00 C ATOM 154 C SER A 10 9.300 15.666 -24.949 1.00 0.00 C ATOM 155 O SER A 10 9.673 16.821 -24.734 1.00 0.00 O ATOM 156 CB SER A 10 7.045 16.453 -25.816 1.00 0.00 C ATOM 157 OG SER A 10 7.171 17.733 -25.222 1.00 0.00 O ATOM 0 H SER A 10 6.792 15.964 -23.385 1.00 0.00 H new ATOM 0 HA SER A 10 7.722 14.433 -25.680 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.403 16.506 -26.844 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.989 16.188 -25.859 1.00 0.00 H new ATOM 0 HG SER A 10 8.075 17.837 -24.858 1.00 0.00 H new ATOM 163 N GLY A 11 10.172 14.662 -25.059 1.00 0.00 N ATOM 164 CA GLY A 11 11.622 14.684 -24.797 1.00 0.00 C ATOM 165 C GLY A 11 12.497 15.506 -25.758 1.00 0.00 C ATOM 166 O GLY A 11 13.652 15.154 -25.973 1.00 0.00 O ATOM 0 H GLY A 11 9.863 13.737 -25.357 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.777 15.066 -23.788 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.983 13.656 -24.807 1.00 0.00 H new ATOM 170 N ALA A 12 11.952 16.579 -26.334 1.00 0.00 N ATOM 171 CA ALA A 12 12.442 17.277 -27.530 1.00 0.00 C ATOM 172 C ALA A 12 13.923 17.710 -27.496 1.00 0.00 C ATOM 173 O ALA A 12 14.607 17.663 -28.515 1.00 0.00 O ATOM 174 CB ALA A 12 11.522 18.482 -27.761 1.00 0.00 C ATOM 0 H ALA A 12 11.108 17.011 -25.959 1.00 0.00 H new ATOM 0 HA ALA A 12 12.411 16.566 -28.355 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.853 19.029 -28.644 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.500 18.136 -27.912 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.558 19.139 -26.892 1.00 0.00 H new ATOM 180 N CYS A 13 14.426 18.127 -26.333 1.00 0.00 N ATOM 181 CA CYS A 13 15.855 18.250 -26.044 1.00 0.00 C ATOM 182 C CYS A 13 16.091 18.102 -24.529 1.00 0.00 C ATOM 183 O CYS A 13 15.146 18.219 -23.743 1.00 0.00 O ATOM 184 CB CYS A 13 16.361 19.606 -26.566 1.00 0.00 C ATOM 185 SG CYS A 13 18.174 19.596 -26.678 1.00 0.00 S ATOM 0 H CYS A 13 13.835 18.395 -25.546 1.00 0.00 H new ATOM 0 HA CYS A 13 16.412 17.460 -26.547 1.00 0.00 H new ATOM 0 HB2 CYS A 13 15.930 19.811 -27.546 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.035 20.405 -25.901 1.00 0.00 H new ATOM 0 HG CYS A 13 18.588 20.746 -27.122 1.00 0.00 H new ATOM 191 N GLY A 14 17.338 17.860 -24.108 1.00 0.00 N ATOM 192 CA GLY A 14 17.819 17.936 -22.714 1.00 0.00 C ATOM 193 C GLY A 14 17.086 17.100 -21.648 1.00 0.00 C ATOM 194 O GLY A 14 17.312 17.301 -20.455 1.00 0.00 O ATOM 0 H GLY A 14 18.078 17.593 -24.757 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.868 17.640 -22.707 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.780 18.980 -22.404 1.00 0.00 H new ATOM 198 N TYR A 15 16.177 16.197 -22.036 1.00 0.00 N ATOM 199 CA TYR A 15 15.102 15.750 -21.144 1.00 0.00 C ATOM 200 C TYR A 15 15.555 15.015 -19.881 1.00 0.00 C ATOM 201 O TYR A 15 14.979 15.236 -18.822 1.00 0.00 O ATOM 202 CB TYR A 15 14.063 14.928 -21.914 1.00 0.00 C ATOM 203 CG TYR A 15 14.366 13.468 -22.178 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.083 13.081 -23.327 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.844 12.487 -21.310 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.287 11.714 -23.595 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.026 11.119 -21.586 1.00 0.00 C ATOM 208 CZ TYR A 15 14.756 10.731 -22.731 1.00 0.00 C ATOM 209 OH TYR A 15 14.955 9.415 -23.001 1.00 0.00 O ATOM 0 H TYR A 15 16.165 15.763 -22.959 1.00 0.00 H new ATOM 0 HA TYR A 15 14.648 16.670 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.123 14.980 -21.365 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.898 15.414 -22.876 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.475 13.830 -24.000 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.300 12.788 -20.427 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.852 11.416 -24.466 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.610 10.371 -20.927 1.00 0.00 H new ATOM 0 HH TYR A 15 14.526 8.870 -22.308 1.00 0.00 H new ATOM 219 N LYS A 16 16.585 14.169 -19.972 1.00 0.00 N ATOM 220 CA LYS A 16 17.077 13.318 -18.870 1.00 0.00 C ATOM 221 C LYS A 16 17.413 14.092 -17.575 1.00 0.00 C ATOM 222 O LYS A 16 16.769 13.807 -16.567 1.00 0.00 O ATOM 223 CB LYS A 16 18.207 12.395 -19.364 1.00 0.00 C ATOM 224 CG LYS A 16 17.674 11.380 -20.396 1.00 0.00 C ATOM 225 CD LYS A 16 18.763 10.520 -21.053 1.00 0.00 C ATOM 226 CE LYS A 16 19.441 9.564 -20.063 1.00 0.00 C ATOM 227 NZ LYS A 16 20.368 8.634 -20.755 1.00 0.00 N ATOM 0 H LYS A 16 17.118 14.049 -20.834 1.00 0.00 H new ATOM 0 HA LYS A 16 16.250 12.678 -18.563 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.001 12.993 -19.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.645 11.865 -18.519 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.955 10.724 -19.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.134 11.919 -21.174 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.323 9.942 -21.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.516 11.171 -21.496 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.990 10.139 -19.318 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.682 8.993 -19.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.810 8.001 -20.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.839 8.069 -21.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.106 9.180 -21.244 1.00 0.00 H new ATOM 241 N PRO A 17 18.334 15.081 -17.552 1.00 0.00 N ATOM 242 CA PRO A 17 18.573 15.893 -16.352 1.00 0.00 C ATOM 243 C PRO A 17 17.363 16.749 -15.944 1.00 0.00 C ATOM 244 O PRO A 17 17.092 16.858 -14.753 1.00 0.00 O ATOM 245 CB PRO A 17 19.809 16.746 -16.661 1.00 0.00 C ATOM 246 CG PRO A 17 19.825 16.822 -18.186 1.00 0.00 C ATOM 247 CD PRO A 17 19.270 15.459 -18.600 1.00 0.00 C ATOM 0 HA PRO A 17 18.738 15.250 -15.487 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.735 17.736 -16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.719 16.288 -16.273 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.207 17.640 -18.557 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.831 16.983 -18.572 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.772 15.516 -19.568 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.069 14.724 -18.696 1.00 0.00 H new ATOM 255 N LYS A 18 16.577 17.290 -16.891 1.00 0.00 N ATOM 256 CA LYS A 18 15.305 18.001 -16.613 1.00 0.00 C ATOM 257 C LYS A 18 14.337 17.152 -15.780 1.00 0.00 C ATOM 258 O LYS A 18 13.733 17.630 -14.821 1.00 0.00 O ATOM 259 CB LYS A 18 14.722 18.462 -17.969 1.00 0.00 C ATOM 260 CG LYS A 18 13.195 18.549 -18.165 1.00 0.00 C ATOM 261 CD LYS A 18 12.454 19.534 -17.243 1.00 0.00 C ATOM 262 CE LYS A 18 11.189 20.107 -17.904 1.00 0.00 C ATOM 263 NZ LYS A 18 10.224 19.065 -18.339 1.00 0.00 N ATOM 0 H LYS A 18 16.805 17.248 -17.884 1.00 0.00 H new ATOM 0 HA LYS A 18 15.485 18.878 -15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.132 19.450 -18.178 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.109 17.788 -18.733 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.996 18.830 -19.199 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.772 17.555 -18.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.181 19.027 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.123 20.351 -16.974 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.694 20.779 -17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.479 20.705 -18.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.335 19.517 -18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.624 18.533 -19.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.036 18.414 -17.550 1.00 0.00 H new ATOM 277 N TYR A 19 14.194 15.893 -16.178 1.00 0.00 N ATOM 278 CA TYR A 19 13.411 14.860 -15.499 1.00 0.00 C ATOM 279 C TYR A 19 13.947 14.622 -14.085 1.00 0.00 C ATOM 280 O TYR A 19 13.218 14.777 -13.105 1.00 0.00 O ATOM 281 CB TYR A 19 13.459 13.569 -16.334 1.00 0.00 C ATOM 282 CG TYR A 19 12.290 12.652 -16.083 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.229 11.889 -14.902 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.243 12.597 -17.024 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.091 11.105 -14.636 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.111 11.815 -16.758 1.00 0.00 C ATOM 287 CZ TYR A 19 10.023 11.097 -15.549 1.00 0.00 C ATOM 288 OH TYR A 19 8.878 10.448 -15.257 1.00 0.00 O ATOM 0 H TYR A 19 14.643 15.545 -17.025 1.00 0.00 H new ATOM 0 HA TYR A 19 12.375 15.186 -15.405 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.486 13.830 -17.392 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.384 13.036 -16.113 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.052 11.905 -14.203 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.312 13.155 -17.946 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.039 10.512 -13.735 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.308 11.763 -17.478 1.00 0.00 H new ATOM 0 HH TYR A 19 9.062 9.734 -14.612 1.00 0.00 H new ATOM 298 N LEU A 20 15.231 14.260 -13.978 1.00 0.00 N ATOM 299 CA LEU A 20 15.895 14.008 -12.698 1.00 0.00 C ATOM 300 C LEU A 20 15.798 15.186 -11.737 1.00 0.00 C ATOM 301 O LEU A 20 15.631 14.941 -10.559 1.00 0.00 O ATOM 302 CB LEU A 20 17.367 13.630 -12.896 1.00 0.00 C ATOM 303 CG LEU A 20 17.610 12.116 -12.971 1.00 0.00 C ATOM 304 CD1 LEU A 20 16.979 11.451 -14.196 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.112 11.829 -13.006 1.00 0.00 C ATOM 0 H LEU A 20 15.841 14.133 -14.785 1.00 0.00 H new ATOM 0 HA LEU A 20 15.363 13.169 -12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.732 14.094 -13.813 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.953 14.043 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 20 17.138 11.698 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.193 10.382 -14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.900 11.605 -14.179 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.394 11.891 -15.103 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.276 10.753 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.553 12.307 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.579 12.223 -12.103 1.00 0.00 H new ATOM 317 N GLN A 21 15.837 16.437 -12.183 1.00 0.00 N ATOM 318 CA GLN A 21 15.811 17.578 -11.258 1.00 0.00 C ATOM 319 C GLN A 21 14.509 17.613 -10.432 1.00 0.00 C ATOM 320 O GLN A 21 14.512 18.046 -9.282 1.00 0.00 O ATOM 321 CB GLN A 21 16.031 18.891 -12.043 1.00 0.00 C ATOM 322 CG GLN A 21 17.009 19.867 -11.370 1.00 0.00 C ATOM 323 CD GLN A 21 16.513 20.451 -10.053 1.00 0.00 C ATOM 324 OE1 GLN A 21 17.004 20.136 -8.984 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.562 21.358 -10.071 1.00 0.00 N ATOM 0 H GLN A 21 15.886 16.692 -13.169 1.00 0.00 H new ATOM 0 HA GLN A 21 16.625 17.464 -10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.403 18.649 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.070 19.389 -12.174 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.952 19.351 -11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.218 20.685 -12.060 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.138 21.635 -10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.248 21.785 -9.200 1.00 0.00 H new ATOM 334 N LEU A 22 13.401 17.103 -10.990 1.00 0.00 N ATOM 335 CA LEU A 22 12.196 16.775 -10.227 1.00 0.00 C ATOM 336 C LEU A 22 12.327 15.427 -9.490 1.00 0.00 C ATOM 337 O LEU A 22 12.011 15.348 -8.302 1.00 0.00 O ATOM 338 CB LEU A 22 10.984 16.788 -11.179 1.00 0.00 C ATOM 339 CG LEU A 22 9.641 16.484 -10.482 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.276 17.554 -9.449 1.00 0.00 C ATOM 341 CD2 LEU A 22 8.517 16.422 -11.517 1.00 0.00 C ATOM 0 H LEU A 22 13.319 16.907 -11.988 1.00 0.00 H new ATOM 0 HA LEU A 22 12.053 17.528 -9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.921 17.765 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.147 16.055 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 22 9.757 15.527 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.324 17.300 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.052 17.602 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.192 18.522 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.573 16.207 -11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.444 17.379 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.731 15.635 -12.240 1.00 0.00 H new ATOM 353 N LYS A 23 12.767 14.363 -10.179 1.00 0.00 N ATOM 354 CA LYS A 23 12.755 12.985 -9.661 1.00 0.00 C ATOM 355 C LYS A 23 13.651 12.794 -8.439 1.00 0.00 C ATOM 356 O LYS A 23 13.199 12.279 -7.423 1.00 0.00 O ATOM 357 CB LYS A 23 13.194 12.020 -10.772 1.00 0.00 C ATOM 358 CG LYS A 23 12.151 10.945 -11.032 1.00 0.00 C ATOM 359 CD LYS A 23 12.731 9.630 -11.561 1.00 0.00 C ATOM 360 CE LYS A 23 13.497 9.027 -10.390 1.00 0.00 C ATOM 361 NZ LYS A 23 13.543 7.549 -10.377 1.00 0.00 N ATOM 0 H LYS A 23 13.146 14.436 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 23 11.734 12.773 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.375 12.580 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.138 11.551 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.611 10.746 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.424 11.325 -11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.941 8.960 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.389 9.805 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.518 9.409 -10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.043 9.371 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.134 7.197 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.997 7.178 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.530 7.232 -10.453 1.00 0.00 H new ATOM 375 N GLU A 24 14.904 13.231 -8.577 1.00 0.00 N ATOM 376 CA GLU A 24 15.934 13.332 -7.538 1.00 0.00 C ATOM 377 C GLU A 24 15.364 13.848 -6.223 1.00 0.00 C ATOM 378 O GLU A 24 15.579 13.223 -5.196 1.00 0.00 O ATOM 379 CB GLU A 24 17.050 14.275 -8.043 1.00 0.00 C ATOM 380 CG GLU A 24 18.224 14.494 -7.075 1.00 0.00 C ATOM 381 CD GLU A 24 18.212 15.940 -6.560 1.00 0.00 C ATOM 382 OE1 GLU A 24 18.794 16.829 -7.224 1.00 0.00 O ATOM 383 OE2 GLU A 24 17.502 16.241 -5.577 1.00 0.00 O ATOM 0 H GLU A 24 15.252 13.547 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 24 16.335 12.337 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.443 13.875 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.606 15.244 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.151 13.800 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.167 14.286 -7.580 1.00 0.00 H new ATOM 390 N LYS A 25 14.593 14.939 -6.268 1.00 0.00 N ATOM 391 CA LYS A 25 13.983 15.585 -5.103 1.00 0.00 C ATOM 392 C LYS A 25 12.979 14.679 -4.395 1.00 0.00 C ATOM 393 O LYS A 25 12.941 14.603 -3.173 1.00 0.00 O ATOM 394 CB LYS A 25 13.312 16.897 -5.563 1.00 0.00 C ATOM 395 CG LYS A 25 13.791 18.119 -4.770 1.00 0.00 C ATOM 396 CD LYS A 25 15.274 18.472 -4.917 1.00 0.00 C ATOM 397 CE LYS A 25 15.636 18.651 -6.394 1.00 0.00 C ATOM 398 NZ LYS A 25 17.084 18.833 -6.583 1.00 0.00 N ATOM 0 H LYS A 25 14.370 15.411 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 25 14.765 15.799 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.518 17.053 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.231 16.803 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.200 18.982 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.581 17.948 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.492 19.388 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.887 17.685 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.302 17.780 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.105 19.514 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.271 19.135 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.432 19.559 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.574 17.934 -6.398 1.00 0.00 H new ATOM 412 N LEU A 26 12.126 14.037 -5.179 1.00 0.00 N ATOM 413 CA LEU A 26 11.078 13.127 -4.748 1.00 0.00 C ATOM 414 C LEU A 26 11.640 11.868 -4.070 1.00 0.00 C ATOM 415 O LEU A 26 11.239 11.507 -2.967 1.00 0.00 O ATOM 416 CB LEU A 26 10.235 12.823 -6.001 1.00 0.00 C ATOM 417 CG LEU A 26 8.914 13.590 -5.993 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.100 15.103 -6.166 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.983 13.086 -7.099 1.00 0.00 C ATOM 0 H LEU A 26 12.149 14.145 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 26 10.455 13.578 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.803 13.085 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.034 11.753 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 26 8.473 13.409 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.127 15.593 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.713 15.490 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.593 15.303 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.049 13.648 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.462 13.224 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.774 12.027 -6.944 1.00 0.00 H new ATOM 431 N GLU A 27 12.583 11.215 -4.736 1.00 0.00 N ATOM 432 CA GLU A 27 13.366 10.084 -4.231 1.00 0.00 C ATOM 433 C GLU A 27 14.315 10.435 -3.076 1.00 0.00 C ATOM 434 O GLU A 27 14.513 9.606 -2.195 1.00 0.00 O ATOM 435 CB GLU A 27 14.139 9.473 -5.414 1.00 0.00 C ATOM 436 CG GLU A 27 13.438 8.187 -5.877 1.00 0.00 C ATOM 437 CD GLU A 27 13.835 7.684 -7.277 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.758 8.236 -7.919 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.141 6.796 -7.826 1.00 0.00 O ATOM 0 H GLU A 27 12.839 11.468 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 27 12.668 9.365 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.191 10.187 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.165 9.254 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.648 7.399 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.361 8.355 -5.862 1.00 0.00 H new ATOM 446 N HIS A 28 14.861 11.650 -3.025 1.00 0.00 N ATOM 447 CA HIS A 28 15.584 12.176 -1.861 1.00 0.00 C ATOM 448 C HIS A 28 14.672 12.297 -0.637 1.00 0.00 C ATOM 449 O HIS A 28 15.069 11.946 0.477 1.00 0.00 O ATOM 450 CB HIS A 28 16.171 13.552 -2.215 1.00 0.00 C ATOM 451 CG HIS A 28 16.776 14.355 -1.085 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.059 13.929 0.194 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.036 15.696 -1.135 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.491 14.991 0.895 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.504 16.088 0.123 1.00 0.00 N ATOM 0 H HIS A 28 14.814 12.309 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 28 16.383 11.479 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.938 13.407 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.381 14.150 -2.670 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.959 12.977 0.546 1.00 0.00 H new ATOM 0 HD2 HIS A 28 16.904 16.338 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.786 14.965 1.934 1.00 0.00 H new ATOM 463 N GLU A 29 13.469 12.827 -0.838 1.00 0.00 N ATOM 464 CA GLU A 29 12.501 13.080 0.221 1.00 0.00 C ATOM 465 C GLU A 29 11.961 11.779 0.836 1.00 0.00 C ATOM 466 O GLU A 29 11.750 11.690 2.046 1.00 0.00 O ATOM 467 CB GLU A 29 11.353 13.884 -0.394 1.00 0.00 C ATOM 468 CG GLU A 29 11.486 15.404 -0.229 1.00 0.00 C ATOM 469 CD GLU A 29 10.738 15.892 1.016 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.002 15.428 2.147 1.00 0.00 O ATOM 471 OE2 GLU A 29 9.779 16.689 0.901 1.00 0.00 O ATOM 0 H GLU A 29 13.134 13.098 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 29 12.985 13.629 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.290 13.650 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.416 13.562 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.539 15.674 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.092 15.905 -1.113 1.00 0.00 H new ATOM 478 N PHE A 30 11.706 10.773 -0.007 1.00 0.00 N ATOM 479 CA PHE A 30 10.964 9.561 0.342 1.00 0.00 C ATOM 480 C PHE A 30 11.585 8.262 -0.225 1.00 0.00 C ATOM 481 O PHE A 30 10.877 7.472 -0.861 1.00 0.00 O ATOM 482 CB PHE A 30 9.534 9.742 -0.177 1.00 0.00 C ATOM 483 CG PHE A 30 8.845 11.047 0.162 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.496 11.331 1.492 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.575 11.986 -0.853 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.889 12.554 1.810 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.953 13.205 -0.539 1.00 0.00 C ATOM 488 CZ PHE A 30 7.626 13.489 0.792 1.00 0.00 C ATOM 0 H PHE A 30 12.020 10.781 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 30 10.993 9.438 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.551 9.638 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.926 8.926 0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.695 10.608 2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.847 11.768 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.624 12.778 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.729 13.918 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.167 14.435 1.040 1.00 0.00 H new ATOM 498 N PRO A 31 12.889 7.989 -0.033 1.00 0.00 N ATOM 499 CA PRO A 31 13.538 6.849 -0.677 1.00 0.00 C ATOM 500 C PRO A 31 12.908 5.526 -0.239 1.00 0.00 C ATOM 501 O PRO A 31 12.655 5.309 0.944 1.00 0.00 O ATOM 502 CB PRO A 31 15.017 6.929 -0.303 1.00 0.00 C ATOM 503 CG PRO A 31 15.024 7.763 0.980 1.00 0.00 C ATOM 504 CD PRO A 31 13.829 8.701 0.816 1.00 0.00 C ATOM 0 HA PRO A 31 13.413 6.885 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.442 5.939 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.604 7.402 -1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.920 7.135 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.955 8.318 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.383 8.940 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.131 9.645 0.362 1.00 0.00 H new ATOM 512 N GLY A 32 12.632 4.652 -1.207 1.00 0.00 N ATOM 513 CA GLY A 32 12.006 3.329 -1.039 1.00 0.00 C ATOM 514 C GLY A 32 10.525 3.321 -0.656 1.00 0.00 C ATOM 515 O GLY A 32 9.786 2.401 -1.016 1.00 0.00 O ATOM 0 H GLY A 32 12.848 4.853 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.121 2.776 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.560 2.784 -0.275 1.00 0.00 H new ATOM 519 N CYS A 33 10.044 4.378 0.002 1.00 0.00 N ATOM 520 CA CYS A 33 8.626 4.666 0.152 1.00 0.00 C ATOM 521 C CYS A 33 8.001 5.128 -1.169 1.00 0.00 C ATOM 522 O CYS A 33 6.779 5.201 -1.296 1.00 0.00 O ATOM 523 CB CYS A 33 8.394 5.736 1.219 1.00 0.00 C ATOM 524 SG CYS A 33 9.422 5.500 2.699 1.00 0.00 S ATOM 0 H CYS A 33 10.645 5.068 0.452 1.00 0.00 H new ATOM 0 HA CYS A 33 8.146 3.737 0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.601 6.717 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.343 5.730 1.509 1.00 0.00 H new ATOM 0 HG CYS A 33 9.172 6.445 3.556 1.00 0.00 H new ATOM 530 N LEU A 34 8.821 5.461 -2.161 1.00 0.00 N ATOM 531 CA LEU A 34 8.355 5.978 -3.434 1.00 0.00 C ATOM 532 C LEU A 34 9.061 5.381 -4.639 1.00 0.00 C ATOM 533 O LEU A 34 10.218 4.979 -4.609 1.00 0.00 O ATOM 534 CB LEU A 34 8.473 7.513 -3.438 1.00 0.00 C ATOM 535 CG LEU A 34 7.099 8.190 -3.314 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.987 9.255 -2.239 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.741 8.888 -4.618 1.00 0.00 C ATOM 0 H LEU A 34 9.836 5.377 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 34 7.312 5.678 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.111 7.831 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.957 7.838 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 34 6.432 7.369 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.978 9.667 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.199 8.813 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.703 10.051 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.766 9.365 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.493 9.644 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.708 8.156 -5.425 1.00 0.00 H new ATOM 549 N ASP A 35 8.301 5.416 -5.717 1.00 0.00 N ATOM 550 CA ASP A 35 8.643 5.059 -7.078 1.00 0.00 C ATOM 551 C ASP A 35 8.333 6.274 -7.937 1.00 0.00 C ATOM 552 O ASP A 35 7.243 6.835 -7.874 1.00 0.00 O ATOM 553 CB ASP A 35 7.732 3.897 -7.456 1.00 0.00 C ATOM 554 CG ASP A 35 7.510 3.609 -8.943 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.326 3.988 -9.809 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.415 3.109 -9.295 1.00 0.00 O ATOM 0 H ASP A 35 7.332 5.727 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 35 9.687 4.774 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.136 2.994 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.757 4.076 -7.002 1.00 0.00 H new ATOM 561 N ILE A 36 9.262 6.631 -8.799 1.00 0.00 N ATOM 562 CA ILE A 36 9.024 7.477 -9.951 1.00 0.00 C ATOM 563 C ILE A 36 9.714 6.850 -11.163 1.00 0.00 C ATOM 564 O ILE A 36 10.942 6.726 -11.226 1.00 0.00 O ATOM 565 CB ILE A 36 9.536 8.906 -9.761 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.306 9.572 -8.387 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.005 9.798 -10.903 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.557 9.406 -7.517 1.00 0.00 C ATOM 0 H ILE A 36 10.233 6.332 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 36 7.946 7.545 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 36 10.621 8.807 -9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.080 10.630 -8.518 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.445 9.121 -7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.369 10.816 -10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.355 9.411 -11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.915 9.798 -10.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.391 9.877 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.763 8.345 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.408 9.878 -8.009 1.00 0.00 H new ATOM 580 N CYS A 37 8.903 6.567 -12.166 1.00 0.00 N ATOM 581 CA CYS A 37 9.281 6.202 -13.532 1.00 0.00 C ATOM 582 C CYS A 37 8.686 7.224 -14.505 1.00 0.00 C ATOM 583 O CYS A 37 8.125 8.222 -14.057 1.00 0.00 O ATOM 584 CB CYS A 37 8.880 4.751 -13.813 1.00 0.00 C ATOM 585 SG CYS A 37 9.785 3.611 -12.722 1.00 0.00 S ATOM 0 H CYS A 37 7.890 6.586 -12.046 1.00 0.00 H new ATOM 0 HA CYS A 37 10.362 6.239 -13.668 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.807 4.630 -13.664 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.087 4.506 -14.855 1.00 0.00 H new ATOM 0 HG CYS A 37 9.291 3.675 -11.521 1.00 0.00 H new ATOM 591 N GLY A 38 8.855 7.036 -15.816 1.00 0.00 N ATOM 592 CA GLY A 38 8.415 7.990 -16.851 1.00 0.00 C ATOM 593 C GLY A 38 8.187 7.428 -18.253 1.00 0.00 C ATOM 594 O GLY A 38 8.744 6.396 -18.604 1.00 0.00 O ATOM 0 H GLY A 38 9.307 6.206 -16.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.487 8.452 -16.515 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.159 8.784 -16.920 1.00 0.00 H new ATOM 598 N GLU A 39 7.453 8.193 -19.064 1.00 0.00 N ATOM 599 CA GLU A 39 6.996 7.910 -20.429 1.00 0.00 C ATOM 600 C GLU A 39 7.432 9.054 -21.369 1.00 0.00 C ATOM 601 O GLU A 39 6.695 9.993 -21.683 1.00 0.00 O ATOM 602 CB GLU A 39 5.468 7.782 -20.432 1.00 0.00 C ATOM 603 CG GLU A 39 4.875 6.672 -19.546 1.00 0.00 C ATOM 604 CD GLU A 39 5.304 5.249 -19.937 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.816 5.070 -21.067 1.00 0.00 O ATOM 606 OE2 GLU A 39 5.112 4.361 -19.075 1.00 0.00 O ATOM 0 H GLU A 39 7.133 9.111 -18.755 1.00 0.00 H new ATOM 0 HA GLU A 39 7.437 6.977 -20.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.044 8.735 -20.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.141 7.612 -21.458 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.167 6.855 -18.512 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.788 6.734 -19.586 1.00 0.00 H new ATOM 702 N PHE A 47 3.656 18.608 -23.895 1.00 0.00 N ATOM 703 CA PHE A 47 3.121 17.895 -22.728 1.00 0.00 C ATOM 704 C PHE A 47 4.234 17.606 -21.707 1.00 0.00 C ATOM 705 O PHE A 47 5.346 17.265 -22.103 1.00 0.00 O ATOM 706 CB PHE A 47 2.499 16.569 -23.196 1.00 0.00 C ATOM 707 CG PHE A 47 1.201 16.697 -23.977 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.203 17.193 -25.295 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.015 16.277 -23.403 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.005 17.289 -26.024 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.212 16.351 -24.138 1.00 0.00 C ATOM 712 CZ PHE A 47 -1.204 16.864 -25.447 1.00 0.00 C ATOM 0 HA PHE A 47 2.367 18.518 -22.248 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.226 16.045 -23.816 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.317 15.944 -22.322 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.133 17.502 -25.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.028 15.896 -22.393 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.014 17.689 -27.027 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.138 16.013 -23.696 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.125 16.931 -26.008 1.00 0.00 H new ATOM 722 N PHE A 48 3.932 17.713 -20.411 1.00 0.00 N ATOM 723 CA PHE A 48 4.706 17.263 -19.240 1.00 0.00 C ATOM 724 C PHE A 48 3.698 16.964 -18.115 1.00 0.00 C ATOM 725 O PHE A 48 3.457 17.821 -17.259 1.00 0.00 O ATOM 726 CB PHE A 48 5.738 18.333 -18.804 1.00 0.00 C ATOM 727 CG PHE A 48 6.771 17.914 -17.762 1.00 0.00 C ATOM 728 CD1 PHE A 48 7.696 16.893 -18.033 1.00 0.00 C ATOM 729 CD2 PHE A 48 6.861 18.596 -16.533 1.00 0.00 C ATOM 730 CE1 PHE A 48 8.741 16.600 -17.144 1.00 0.00 C ATOM 731 CE2 PHE A 48 7.881 18.283 -15.615 1.00 0.00 C ATOM 732 CZ PHE A 48 8.829 17.289 -15.921 1.00 0.00 C ATOM 0 H PHE A 48 3.060 18.157 -20.123 1.00 0.00 H new ATOM 0 HA PHE A 48 5.279 16.368 -19.483 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.271 18.672 -19.692 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.192 19.192 -18.413 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.601 16.322 -18.944 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.142 19.365 -16.293 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.474 15.849 -17.398 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.936 18.807 -14.673 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.619 17.057 -15.222 1.00 0.00 H new ATOM 742 N GLU A 49 3.025 15.810 -18.132 1.00 0.00 N ATOM 743 CA GLU A 49 1.861 15.597 -17.275 1.00 0.00 C ATOM 744 C GLU A 49 2.185 14.559 -16.188 1.00 0.00 C ATOM 745 O GLU A 49 2.662 13.469 -16.514 1.00 0.00 O ATOM 746 CB GLU A 49 0.660 15.226 -18.150 1.00 0.00 C ATOM 747 CG GLU A 49 0.500 15.940 -19.510 1.00 0.00 C ATOM 748 CD GLU A 49 0.343 17.461 -19.398 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.735 17.928 -18.974 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.264 18.227 -19.759 1.00 0.00 O ATOM 0 H GLU A 49 3.265 15.016 -18.726 1.00 0.00 H new ATOM 0 HA GLU A 49 1.597 16.510 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.705 14.154 -18.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.244 15.409 -17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.369 15.719 -20.130 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.370 15.532 -20.024 1.00 0.00 H new ATOM 757 N VAL A 50 2.004 14.905 -14.901 1.00 0.00 N ATOM 758 CA VAL A 50 2.566 14.142 -13.761 1.00 0.00 C ATOM 759 C VAL A 50 1.445 13.494 -12.970 1.00 0.00 C ATOM 760 O VAL A 50 0.512 14.169 -12.531 1.00 0.00 O ATOM 761 CB VAL A 50 3.392 15.006 -12.781 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.011 14.198 -11.630 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.519 15.789 -13.468 1.00 0.00 C ATOM 0 H VAL A 50 1.464 15.722 -14.617 1.00 0.00 H new ATOM 0 HA VAL A 50 3.234 13.402 -14.203 1.00 0.00 H new ATOM 0 HB VAL A 50 2.659 15.704 -12.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.577 14.865 -10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.219 13.718 -11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.677 13.437 -12.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.060 16.375 -12.725 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.205 15.092 -13.950 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.094 16.457 -14.217 1.00 0.00 H new ATOM 773 N THR A 51 1.564 12.190 -12.737 1.00 0.00 N ATOM 774 CA THR A 51 0.602 11.338 -12.076 1.00 0.00 C ATOM 775 C THR A 51 1.243 10.560 -10.928 1.00 0.00 C ATOM 776 O THR A 51 2.389 10.129 -11.040 1.00 0.00 O ATOM 777 CB THR A 51 0.092 10.329 -13.103 1.00 0.00 C ATOM 778 OG1 THR A 51 1.126 9.730 -13.853 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.886 10.939 -14.099 1.00 0.00 C ATOM 0 H THR A 51 2.394 11.674 -13.028 1.00 0.00 H new ATOM 0 HA THR A 51 -0.199 11.957 -11.672 1.00 0.00 H new ATOM 0 HB THR A 51 -0.411 9.576 -12.496 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.741 9.094 -14.491 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.213 10.174 -14.803 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.750 11.334 -13.565 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.395 11.746 -14.643 1.00 0.00 H new ATOM 787 N VAL A 52 0.499 10.310 -9.847 1.00 0.00 N ATOM 788 CA VAL A 52 0.923 9.508 -8.688 1.00 0.00 C ATOM 789 C VAL A 52 -0.211 8.591 -8.232 1.00 0.00 C ATOM 790 O VAL A 52 -1.338 9.045 -8.098 1.00 0.00 O ATOM 791 CB VAL A 52 1.430 10.422 -7.565 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.387 11.398 -7.011 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.939 9.577 -6.407 1.00 0.00 C ATOM 0 H VAL A 52 -0.450 10.672 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 52 1.755 8.865 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 52 2.218 11.021 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.836 12.002 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.037 12.049 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.455 10.838 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.298 10.229 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.129 8.954 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.755 8.941 -6.751 1.00 0.00 H new ATOM 803 N ALA A 53 0.032 7.286 -8.114 1.00 0.00 N ATOM 804 CA ALA A 53 -1.000 6.232 -8.131 1.00 0.00 C ATOM 805 C ALA A 53 -2.077 6.430 -9.239 1.00 0.00 C ATOM 806 O ALA A 53 -3.237 6.058 -9.085 1.00 0.00 O ATOM 807 CB ALA A 53 -1.586 6.091 -6.718 1.00 0.00 C ATOM 0 H ALA A 53 0.976 6.915 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.530 5.288 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.351 5.314 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.793 5.820 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.030 7.038 -6.412 1.00 0.00 H new ATOM 813 N GLY A 54 -1.706 7.078 -10.353 1.00 0.00 N ATOM 814 CA GLY A 54 -2.599 7.516 -11.438 1.00 0.00 C ATOM 815 C GLY A 54 -3.216 8.916 -11.262 1.00 0.00 C ATOM 816 O GLY A 54 -3.599 9.543 -12.248 1.00 0.00 O ATOM 0 H GLY A 54 -0.732 7.322 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.041 7.499 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.407 6.791 -11.535 1.00 0.00 H new ATOM 820 N LYS A 55 -3.279 9.466 -10.041 1.00 0.00 N ATOM 821 CA LYS A 55 -3.743 10.839 -9.759 1.00 0.00 C ATOM 822 C LYS A 55 -2.819 11.876 -10.374 1.00 0.00 C ATOM 823 O LYS A 55 -1.720 12.094 -9.877 1.00 0.00 O ATOM 824 CB LYS A 55 -3.878 11.106 -8.252 1.00 0.00 C ATOM 825 CG LYS A 55 -5.258 10.758 -7.693 1.00 0.00 C ATOM 826 CD LYS A 55 -6.087 11.982 -7.257 1.00 0.00 C ATOM 827 CE LYS A 55 -6.401 12.990 -8.379 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.476 14.157 -8.398 1.00 0.00 N ATOM 0 H LYS A 55 -3.003 8.959 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.730 10.926 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.123 10.528 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.670 12.158 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.816 10.205 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.135 10.093 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.027 11.632 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.550 12.501 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.351 12.480 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.424 13.348 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.024 15.032 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.952 14.200 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.805 14.055 -9.186 1.00 0.00 H new ATOM 842 N LEU A 56 -3.304 12.582 -11.390 1.00 0.00 N ATOM 843 CA LEU A 56 -2.716 13.839 -11.859 1.00 0.00 C ATOM 844 C LEU A 56 -2.461 14.806 -10.692 1.00 0.00 C ATOM 845 O LEU A 56 -3.350 15.038 -9.864 1.00 0.00 O ATOM 846 CB LEU A 56 -3.624 14.404 -12.963 1.00 0.00 C ATOM 847 CG LEU A 56 -3.347 15.828 -13.488 1.00 0.00 C ATOM 848 CD1 LEU A 56 -4.059 15.986 -14.833 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.879 16.936 -12.571 1.00 0.00 C ATOM 0 H LEU A 56 -4.127 12.296 -11.920 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.729 13.673 -12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.576 13.723 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.649 14.381 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.264 15.934 -13.553 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.878 16.987 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.677 15.246 -15.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.130 15.838 -14.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.648 17.909 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.959 16.833 -12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.409 16.854 -11.591 1.00 0.00 H new ATOM 861 N VAL A 57 -1.251 15.363 -10.666 1.00 0.00 N ATOM 862 CA VAL A 57 -0.802 16.455 -9.771 1.00 0.00 C ATOM 863 C VAL A 57 -0.319 17.680 -10.563 1.00 0.00 C ATOM 864 O VAL A 57 -0.411 18.815 -10.091 1.00 0.00 O ATOM 865 CB VAL A 57 0.329 16.001 -8.819 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.379 16.893 -7.571 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.197 14.556 -8.326 1.00 0.00 C ATOM 0 H VAL A 57 -0.511 15.056 -11.297 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.675 16.729 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 57 1.236 16.080 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.182 16.556 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.563 17.925 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.572 16.832 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.030 14.320 -7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.741 14.441 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.208 13.878 -9.179 1.00 0.00 H new ATOM 877 N HIS A 58 0.152 17.454 -11.790 1.00 0.00 N ATOM 878 CA HIS A 58 0.676 18.474 -12.689 1.00 0.00 C ATOM 879 C HIS A 58 0.132 18.277 -14.097 1.00 0.00 C ATOM 880 O HIS A 58 -0.152 17.151 -14.505 1.00 0.00 O ATOM 881 CB HIS A 58 2.195 18.344 -12.733 1.00 0.00 C ATOM 882 CG HIS A 58 2.911 19.467 -13.429 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.736 20.807 -13.200 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.737 19.336 -14.516 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.406 21.463 -14.156 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.042 20.618 -14.979 1.00 0.00 N ATOM 0 H HIS A 58 0.178 16.519 -12.197 1.00 0.00 H new ATOM 0 HA HIS A 58 0.376 19.457 -12.327 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.568 18.274 -11.711 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.450 17.408 -13.230 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.196 21.226 -12.443 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.089 18.407 -14.939 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.431 22.538 -14.252 1.00 0.00 H new ATOM 894 N SER A 59 0.070 19.367 -14.852 1.00 0.00 N ATOM 895 CA SER A 59 -0.309 19.337 -16.256 1.00 0.00 C ATOM 896 C SER A 59 0.293 20.537 -16.986 1.00 0.00 C ATOM 897 O SER A 59 -0.231 21.657 -16.910 1.00 0.00 O ATOM 898 CB SER A 59 -1.840 19.354 -16.374 1.00 0.00 C ATOM 899 OG SER A 59 -2.368 18.242 -17.057 1.00 0.00 O ATOM 0 H SER A 59 0.283 20.302 -14.504 1.00 0.00 H new ATOM 0 HA SER A 59 0.073 18.425 -16.714 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.272 19.394 -15.374 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.146 20.264 -16.890 1.00 0.00 H new ATOM 0 HG SER A 59 -1.993 18.206 -17.962 1.00 0.00 H new ATOM 905 N LYS A 60 1.383 20.355 -17.729 1.00 0.00 N ATOM 906 CA LYS A 60 1.868 21.358 -18.675 1.00 0.00 C ATOM 907 C LYS A 60 0.816 21.732 -19.717 1.00 0.00 C ATOM 908 O LYS A 60 0.741 22.906 -20.084 1.00 0.00 O ATOM 909 CB LYS A 60 3.119 20.802 -19.361 1.00 0.00 C ATOM 910 CG LYS A 60 4.368 21.668 -19.175 1.00 0.00 C ATOM 911 CD LYS A 60 4.221 23.073 -19.758 1.00 0.00 C ATOM 912 CE LYS A 60 3.881 23.000 -21.250 1.00 0.00 C ATOM 913 NZ LYS A 60 3.851 24.325 -21.910 1.00 0.00 N ATOM 0 H LYS A 60 1.954 19.510 -17.692 1.00 0.00 H new ATOM 0 HA LYS A 60 2.099 22.271 -18.127 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.320 19.804 -18.973 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.919 20.695 -20.427 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.593 21.745 -18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.218 21.174 -19.646 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.438 23.614 -19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.147 23.631 -19.616 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.614 22.368 -21.752 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.910 22.520 -21.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.616 24.206 -22.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.133 24.924 -21.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.784 24.777 -21.824 1.00 0.00 H new ATOM 927 N LYS A 61 -0.027 20.780 -20.130 1.00 0.00 N ATOM 928 CA LYS A 61 -1.164 20.969 -21.045 1.00 0.00 C ATOM 929 C LYS A 61 -2.380 21.657 -20.398 1.00 0.00 C ATOM 930 O LYS A 61 -3.265 22.095 -21.126 1.00 0.00 O ATOM 931 CB LYS A 61 -1.525 19.603 -21.661 1.00 0.00 C ATOM 932 CG LYS A 61 -2.260 19.721 -23.012 1.00 0.00 C ATOM 933 CD LYS A 61 -3.566 18.918 -23.063 1.00 0.00 C ATOM 934 CE LYS A 61 -4.617 19.534 -22.130 1.00 0.00 C ATOM 935 NZ LYS A 61 -5.898 18.791 -22.189 1.00 0.00 N ATOM 0 H LYS A 61 0.067 19.812 -19.823 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.857 21.662 -21.829 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.613 19.022 -21.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.151 19.050 -20.961 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.479 20.771 -23.208 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.599 19.379 -23.809 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.946 18.897 -24.084 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.375 17.885 -22.773 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.242 19.533 -21.107 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.786 20.575 -22.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.586 19.234 -21.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.268 18.813 -23.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.741 17.804 -21.901 1.00 0.00 H new ATOM 949 N ARG A 62 -2.444 21.811 -19.063 1.00 0.00 N ATOM 950 CA ARG A 62 -3.348 22.768 -18.397 1.00 0.00 C ATOM 951 C ARG A 62 -2.731 24.143 -18.168 1.00 0.00 C ATOM 952 O ARG A 62 -3.453 25.086 -17.872 1.00 0.00 O ATOM 953 CB ARG A 62 -3.952 22.156 -17.122 1.00 0.00 C ATOM 954 CG ARG A 62 -3.253 22.276 -15.748 1.00 0.00 C ATOM 955 CD ARG A 62 -3.848 23.287 -14.761 1.00 0.00 C ATOM 956 NE ARG A 62 -3.185 24.600 -14.843 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.748 25.787 -15.001 1.00 0.00 C ATOM 958 NH1 ARG A 62 -5.039 25.940 -15.094 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.029 26.868 -15.080 1.00 0.00 N ATOM 0 H ARG A 62 -1.869 21.274 -18.414 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.168 22.958 -19.090 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.947 22.586 -17.008 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.085 21.092 -17.316 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.260 21.294 -15.275 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.209 22.540 -15.919 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.913 23.406 -14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.757 22.899 -13.747 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.168 24.593 -14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.654 25.127 -15.045 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.435 26.872 -15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.012 26.810 -15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.482 27.774 -15.202 1.00 0.00 H new ATOM 973 N GLY A 63 -1.413 24.261 -18.315 1.00 0.00 N ATOM 974 CA GLY A 63 -0.675 25.495 -18.061 1.00 0.00 C ATOM 975 C GLY A 63 -0.336 25.658 -16.582 1.00 0.00 C ATOM 976 O GLY A 63 -0.356 26.768 -16.065 1.00 0.00 O ATOM 0 H GLY A 63 -0.819 23.489 -18.619 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.244 25.496 -18.647 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.267 26.348 -18.395 1.00 0.00 H new ATOM 980 N ASP A 64 -0.105 24.563 -15.853 1.00 0.00 N ATOM 981 CA ASP A 64 0.432 24.643 -14.485 1.00 0.00 C ATOM 982 C ASP A 64 1.900 25.145 -14.454 1.00 0.00 C ATOM 983 O ASP A 64 2.282 25.873 -13.540 1.00 0.00 O ATOM 984 CB ASP A 64 0.235 23.272 -13.830 1.00 0.00 C ATOM 985 CG ASP A 64 0.342 23.293 -12.303 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.496 23.946 -11.644 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.202 22.572 -11.748 1.00 0.00 O ATOM 0 H ASP A 64 -0.279 23.613 -16.182 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.110 25.392 -13.908 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.744 22.884 -14.111 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.978 22.580 -14.227 1.00 0.00 H new ATOM 992 N GLY A 65 2.701 24.840 -15.491 1.00 0.00 N ATOM 993 CA GLY A 65 4.104 25.269 -15.639 1.00 0.00 C ATOM 994 C GLY A 65 5.075 24.591 -14.661 1.00 0.00 C ATOM 995 O GLY A 65 4.690 24.193 -13.565 1.00 0.00 O ATOM 0 H GLY A 65 2.380 24.270 -16.274 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.430 25.063 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.159 26.349 -15.499 1.00 0.00 H new ATOM 999 N TYR A 66 6.343 24.475 -15.044 1.00 0.00 N ATOM 1000 CA TYR A 66 7.387 23.752 -14.309 1.00 0.00 C ATOM 1001 C TYR A 66 7.663 24.299 -12.894 1.00 0.00 C ATOM 1002 O TYR A 66 6.962 25.178 -12.386 1.00 0.00 O ATOM 1003 CB TYR A 66 8.674 23.747 -15.149 1.00 0.00 C ATOM 1004 CG TYR A 66 8.610 23.163 -16.551 1.00 0.00 C ATOM 1005 CD1 TYR A 66 7.788 22.055 -16.841 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.468 23.673 -17.546 1.00 0.00 C ATOM 1007 CE1 TYR A 66 7.838 21.459 -18.113 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.528 23.072 -18.819 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.715 21.955 -19.096 1.00 0.00 C ATOM 1010 OH TYR A 66 8.810 21.297 -20.278 1.00 0.00 O ATOM 0 H TYR A 66 6.689 24.896 -15.906 1.00 0.00 H new ATOM 0 HA TYR A 66 7.021 22.737 -14.153 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.022 24.776 -15.232 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.433 23.197 -14.593 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.121 21.665 -16.087 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.085 24.533 -17.331 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.201 20.617 -18.337 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.191 23.464 -19.576 1.00 0.00 H new ATOM 0 HH TYR A 66 9.453 21.756 -20.857 1.00 0.00 H new ATOM 1020 N VAL A 67 8.683 23.756 -12.213 1.00 0.00 N ATOM 1021 CA VAL A 67 9.119 24.276 -10.908 1.00 0.00 C ATOM 1022 C VAL A 67 9.947 25.548 -11.044 1.00 0.00 C ATOM 1023 O VAL A 67 11.142 25.635 -10.796 1.00 0.00 O ATOM 1024 CB VAL A 67 9.751 23.258 -9.972 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.712 22.190 -9.608 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.999 22.522 -10.484 1.00 0.00 C ATOM 0 H VAL A 67 9.222 22.956 -12.545 1.00 0.00 H new ATOM 0 HA VAL A 67 8.190 24.540 -10.402 1.00 0.00 H new ATOM 0 HB VAL A 67 10.085 23.859 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.162 21.458 -8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.863 22.662 -9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.372 21.690 -10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.349 21.826 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.750 21.971 -11.391 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.784 23.246 -10.703 1.00 0.00 H new ATOM 1036 N ASP A 68 9.196 26.555 -11.436 1.00 0.00 N ATOM 1037 CA ASP A 68 9.552 27.935 -11.695 1.00 0.00 C ATOM 1038 C ASP A 68 9.875 28.687 -10.396 1.00 0.00 C ATOM 1039 O ASP A 68 10.413 29.792 -10.406 1.00 0.00 O ATOM 1040 CB ASP A 68 8.343 28.584 -12.357 1.00 0.00 C ATOM 1041 CG ASP A 68 7.845 27.961 -13.676 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.566 27.158 -14.305 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.658 28.210 -13.995 1.00 0.00 O ATOM 0 H ASP A 68 8.200 26.407 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 68 10.439 27.975 -12.327 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.519 28.570 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.582 29.630 -12.546 1.00 0.00 H new ATOM 1048 N THR A 69 9.480 28.126 -9.250 1.00 0.00 N ATOM 1049 CA THR A 69 9.834 28.632 -7.926 1.00 0.00 C ATOM 1050 C THR A 69 9.663 27.534 -6.882 1.00 0.00 C ATOM 1051 O THR A 69 8.892 26.588 -7.068 1.00 0.00 O ATOM 1052 CB THR A 69 8.942 29.816 -7.513 1.00 0.00 C ATOM 1053 OG1 THR A 69 8.257 30.421 -8.583 1.00 0.00 O ATOM 1054 CG2 THR A 69 9.733 30.933 -6.842 1.00 0.00 C ATOM 0 H THR A 69 8.894 27.292 -9.219 1.00 0.00 H new ATOM 0 HA THR A 69 10.872 28.962 -7.978 1.00 0.00 H new ATOM 0 HB THR A 69 8.229 29.358 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.711 31.162 -8.245 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.058 31.744 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.217 30.548 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.490 31.307 -7.531 1.00 0.00 H new ATOM 1062 N GLU A 70 10.259 27.739 -5.711 1.00 0.00 N ATOM 1063 CA GLU A 70 10.180 26.800 -4.584 1.00 0.00 C ATOM 1064 C GLU A 70 8.739 26.542 -4.137 1.00 0.00 C ATOM 1065 O GLU A 70 8.346 25.412 -3.857 1.00 0.00 O ATOM 1066 CB GLU A 70 10.995 27.340 -3.396 1.00 0.00 C ATOM 1067 CG GLU A 70 12.485 27.576 -3.689 1.00 0.00 C ATOM 1068 CD GLU A 70 13.253 26.316 -4.126 1.00 0.00 C ATOM 1069 OE1 GLU A 70 12.687 25.204 -4.019 1.00 0.00 O ATOM 1070 OE2 GLU A 70 14.404 26.492 -4.580 1.00 0.00 O ATOM 0 H GLU A 70 10.817 28.569 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 70 10.593 25.851 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.551 28.279 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.909 26.638 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.574 28.331 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.958 27.984 -2.796 1.00 0.00 H new ATOM 1077 N SER A 71 7.891 27.576 -4.173 1.00 0.00 N ATOM 1078 CA SER A 71 6.470 27.405 -3.845 1.00 0.00 C ATOM 1079 C SER A 71 5.734 26.525 -4.859 1.00 0.00 C ATOM 1080 O SER A 71 4.816 25.794 -4.479 1.00 0.00 O ATOM 1081 CB SER A 71 5.759 28.750 -3.722 1.00 0.00 C ATOM 1082 OG SER A 71 4.777 28.685 -2.693 1.00 0.00 O ATOM 0 H SER A 71 8.158 28.528 -4.422 1.00 0.00 H new ATOM 0 HA SER A 71 6.445 26.898 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.482 29.535 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.289 29.011 -4.670 1.00 0.00 H new ATOM 0 HG SER A 71 4.325 29.551 -2.617 1.00 0.00 H new ATOM 1088 N LYS A 72 6.152 26.559 -6.135 1.00 0.00 N ATOM 1089 CA LYS A 72 5.646 25.657 -7.174 1.00 0.00 C ATOM 1090 C LYS A 72 6.081 24.213 -6.929 1.00 0.00 C ATOM 1091 O LYS A 72 5.245 23.313 -6.968 1.00 0.00 O ATOM 1092 CB LYS A 72 6.026 26.117 -8.590 1.00 0.00 C ATOM 1093 CG LYS A 72 5.020 25.529 -9.608 1.00 0.00 C ATOM 1094 CD LYS A 72 4.089 26.602 -10.185 1.00 0.00 C ATOM 1095 CE LYS A 72 4.842 27.505 -11.167 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.795 26.949 -12.539 1.00 0.00 N ATOM 0 H LYS A 72 6.854 27.217 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 72 4.559 25.695 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.021 27.206 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.038 25.790 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.566 25.049 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.424 24.756 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.249 26.127 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.674 27.203 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.403 28.503 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.879 27.610 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.207 27.633 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.338 26.062 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.807 26.760 -12.804 1.00 0.00 H new ATOM 1110 N PHE A 73 7.362 23.995 -6.624 1.00 0.00 N ATOM 1111 CA PHE A 73 7.864 22.675 -6.219 1.00 0.00 C ATOM 1112 C PHE A 73 7.110 22.136 -4.995 1.00 0.00 C ATOM 1113 O PHE A 73 6.594 21.019 -5.014 1.00 0.00 O ATOM 1114 CB PHE A 73 9.379 22.737 -5.974 1.00 0.00 C ATOM 1115 CG PHE A 73 9.946 21.469 -5.364 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.673 20.210 -5.940 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.702 21.545 -4.178 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.111 19.034 -5.307 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.152 20.369 -3.554 1.00 0.00 C ATOM 1120 CZ PHE A 73 10.834 19.116 -4.105 1.00 0.00 C ATOM 0 H PHE A 73 8.078 24.721 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 73 7.681 21.973 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.884 22.933 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.598 23.577 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.126 20.150 -6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.936 22.508 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.893 18.070 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.742 20.428 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.147 18.213 -3.603 1.00 0.00 H new ATOM 1130 N ARG A 74 6.926 22.967 -3.968 1.00 0.00 N ATOM 1131 CA ARG A 74 6.205 22.665 -2.724 1.00 0.00 C ATOM 1132 C ARG A 74 4.758 22.195 -2.924 1.00 0.00 C ATOM 1133 O ARG A 74 4.282 21.398 -2.119 1.00 0.00 O ATOM 1134 CB ARG A 74 6.341 23.882 -1.791 1.00 0.00 C ATOM 1135 CG ARG A 74 5.623 23.755 -0.435 1.00 0.00 C ATOM 1136 CD ARG A 74 4.218 24.378 -0.448 1.00 0.00 C ATOM 1137 NE ARG A 74 4.285 25.853 -0.554 1.00 0.00 N ATOM 1138 CZ ARG A 74 4.252 26.730 0.434 1.00 0.00 C ATOM 1139 NH1 ARG A 74 4.033 26.379 1.674 1.00 0.00 N ATOM 1140 NH2 ARG A 74 4.439 27.992 0.182 1.00 0.00 N ATOM 0 H ARG A 74 7.294 23.918 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 74 6.664 21.794 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.400 24.062 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.954 24.760 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.546 22.701 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.223 24.238 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.648 23.977 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.686 24.100 0.462 1.00 0.00 H new ATOM 0 HE ARG A 74 4.366 26.236 -1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.880 25.398 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.015 27.086 2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.610 28.301 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.414 28.673 0.941 1.00 0.00 H new ATOM 1154 N LYS A 75 4.054 22.620 -3.979 1.00 0.00 N ATOM 1155 CA LYS A 75 2.729 22.099 -4.351 1.00 0.00 C ATOM 1156 C LYS A 75 2.788 20.618 -4.741 1.00 0.00 C ATOM 1157 O LYS A 75 1.860 19.868 -4.444 1.00 0.00 O ATOM 1158 CB LYS A 75 2.148 23.010 -5.452 1.00 0.00 C ATOM 1159 CG LYS A 75 0.863 22.535 -6.158 1.00 0.00 C ATOM 1160 CD LYS A 75 1.122 21.526 -7.297 1.00 0.00 C ATOM 1161 CE LYS A 75 0.091 21.656 -8.431 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.310 22.889 -9.225 1.00 0.00 N ATOM 0 H LYS A 75 4.392 23.347 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 75 2.056 22.125 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.949 23.987 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.917 23.153 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.202 22.078 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.339 23.401 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.123 21.682 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.094 20.513 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.155 20.785 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.915 21.666 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.587 23.186 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.660 23.645 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.011 22.702 -9.970 1.00 0.00 H new ATOM 1176 N LEU A 76 3.887 20.187 -5.360 1.00 0.00 N ATOM 1177 CA LEU A 76 4.142 18.778 -5.672 1.00 0.00 C ATOM 1178 C LEU A 76 4.649 18.016 -4.452 1.00 0.00 C ATOM 1179 O LEU A 76 4.124 16.951 -4.138 1.00 0.00 O ATOM 1180 CB LEU A 76 5.129 18.721 -6.868 1.00 0.00 C ATOM 1181 CG LEU A 76 4.891 17.653 -7.954 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.754 16.238 -7.407 1.00 0.00 C ATOM 1183 CD2 LEU A 76 3.670 17.989 -8.805 1.00 0.00 C ATOM 0 H LEU A 76 4.634 20.812 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 76 3.214 18.281 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.122 19.697 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.131 18.571 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 76 5.789 17.672 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.589 15.544 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.666 15.963 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.909 16.194 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.530 17.217 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.786 18.039 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.821 18.952 -9.293 1.00 0.00 H new ATOM 1195 N VAL A 77 5.562 18.616 -3.686 1.00 0.00 N ATOM 1196 CA VAL A 77 6.003 18.046 -2.399 1.00 0.00 C ATOM 1197 C VAL A 77 4.818 17.734 -1.516 1.00 0.00 C ATOM 1198 O VAL A 77 4.694 16.617 -1.032 1.00 0.00 O ATOM 1199 CB VAL A 77 6.961 18.962 -1.614 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.297 18.405 -0.226 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.264 19.164 -2.370 1.00 0.00 C ATOM 0 H VAL A 77 6.014 19.497 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 77 6.545 17.137 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 77 6.438 19.911 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.975 19.088 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.381 18.300 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.774 17.431 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.922 19.814 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.749 18.200 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.056 19.623 -3.337 1.00 0.00 H new ATOM 1211 N THR A 78 3.928 18.702 -1.326 1.00 0.00 N ATOM 1212 CA THR A 78 2.811 18.568 -0.400 1.00 0.00 C ATOM 1213 C THR A 78 1.909 17.412 -0.785 1.00 0.00 C ATOM 1214 O THR A 78 1.502 16.650 0.092 1.00 0.00 O ATOM 1215 CB THR A 78 2.032 19.887 -0.254 1.00 0.00 C ATOM 1216 OG1 THR A 78 2.913 20.923 0.125 1.00 0.00 O ATOM 1217 CG2 THR A 78 0.952 19.835 0.822 1.00 0.00 C ATOM 0 H THR A 78 3.961 19.600 -1.809 1.00 0.00 H new ATOM 0 HA THR A 78 3.224 18.337 0.582 1.00 0.00 H new ATOM 0 HB THR A 78 1.566 20.061 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.471 21.174 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.442 20.797 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.232 19.054 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.410 19.616 1.787 1.00 0.00 H new ATOM 1225 N ALA A 79 1.679 17.197 -2.082 1.00 0.00 N ATOM 1226 CA ALA A 79 0.758 16.139 -2.484 1.00 0.00 C ATOM 1227 C ALA A 79 1.390 14.752 -2.455 1.00 0.00 C ATOM 1228 O ALA A 79 0.716 13.760 -2.180 1.00 0.00 O ATOM 1229 CB ALA A 79 0.175 16.478 -3.858 1.00 0.00 C ATOM 0 H ALA A 79 2.103 17.723 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.049 16.094 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.514 15.691 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.359 17.427 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.982 16.557 -4.586 1.00 0.00 H new ATOM 1235 N ILE A 80 2.704 14.700 -2.661 1.00 0.00 N ATOM 1236 CA ILE A 80 3.474 13.459 -2.550 1.00 0.00 C ATOM 1237 C ILE A 80 3.676 13.109 -1.076 1.00 0.00 C ATOM 1238 O ILE A 80 3.536 11.952 -0.701 1.00 0.00 O ATOM 1239 CB ILE A 80 4.811 13.585 -3.311 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.617 13.812 -4.829 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.704 12.353 -3.095 1.00 0.00 C ATOM 1242 CD1 ILE A 80 4.020 12.643 -5.620 1.00 0.00 C ATOM 0 H ILE A 80 3.266 15.514 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 80 2.922 12.641 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 80 5.302 14.465 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.974 14.681 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.585 14.061 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.636 12.478 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.922 12.244 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.188 11.462 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.932 12.921 -6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.669 11.772 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.033 12.403 -5.225 1.00 0.00 H new ATOM 1254 N LYS A 81 3.924 14.100 -0.212 1.00 0.00 N ATOM 1255 CA LYS A 81 4.209 13.902 1.218 1.00 0.00 C ATOM 1256 C LYS A 81 2.977 13.396 1.948 1.00 0.00 C ATOM 1257 O LYS A 81 3.061 12.474 2.753 1.00 0.00 O ATOM 1258 CB LYS A 81 4.669 15.237 1.827 1.00 0.00 C ATOM 1259 CG LYS A 81 5.344 15.091 3.204 1.00 0.00 C ATOM 1260 CD LYS A 81 6.106 16.364 3.615 1.00 0.00 C ATOM 1261 CE LYS A 81 7.359 16.631 2.760 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.592 15.983 3.276 1.00 0.00 N ATOM 0 H LYS A 81 3.933 15.081 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 81 4.996 13.155 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.365 15.718 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.808 15.898 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.588 14.864 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.034 14.248 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.435 17.220 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.400 16.280 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.175 16.281 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.524 17.707 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.411 16.303 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.729 16.242 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.501 14.950 3.196 1.00 0.00 H new ATOM 1276 N ALA A 82 1.841 14.013 1.631 1.00 0.00 N ATOM 1277 CA ALA A 82 0.538 13.615 2.151 1.00 0.00 C ATOM 1278 C ALA A 82 0.203 12.181 1.725 1.00 0.00 C ATOM 1279 O ALA A 82 -0.012 11.316 2.576 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.520 14.630 1.696 1.00 0.00 C ATOM 0 H ALA A 82 1.800 14.812 0.999 1.00 0.00 H new ATOM 0 HA ALA A 82 0.555 13.617 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.496 14.336 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.262 15.619 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.554 14.656 0.607 1.00 0.00 H new ATOM 1286 N ALA A 83 0.258 11.906 0.419 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.054 10.587 -0.115 1.00 0.00 C ATOM 1288 C ALA A 83 0.910 9.494 0.367 1.00 0.00 C ATOM 1289 O ALA A 83 0.502 8.347 0.561 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.129 10.691 -1.637 1.00 0.00 C ATOM 0 H ALA A 83 0.519 12.591 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.022 10.268 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.362 9.713 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.908 11.400 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.830 11.034 -2.026 1.00 0.00 H new ATOM 1296 N LEU A 84 2.159 9.856 0.664 1.00 0.00 N ATOM 1297 CA LEU A 84 3.121 8.945 1.287 1.00 0.00 C ATOM 1298 C LEU A 84 2.679 8.559 2.696 1.00 0.00 C ATOM 1299 O LEU A 84 2.529 7.375 2.996 1.00 0.00 O ATOM 1300 CB LEU A 84 4.516 9.597 1.298 1.00 0.00 C ATOM 1301 CG LEU A 84 5.707 8.663 1.479 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.903 8.123 2.894 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.609 7.527 0.464 1.00 0.00 C ATOM 0 H LEU A 84 2.532 10.787 0.480 1.00 0.00 H new ATOM 0 HA LEU A 84 3.168 8.026 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.647 10.137 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.539 10.337 2.098 1.00 0.00 H new ATOM 0 HG LEU A 84 6.598 9.265 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.775 7.470 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.054 8.954 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.020 7.559 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.458 6.855 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.683 6.975 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.616 7.939 -0.545 1.00 0.00 H new ATOM 1315 N ALA A 85 2.432 9.558 3.542 1.00 0.00 N ATOM 1316 CA ALA A 85 1.956 9.341 4.912 1.00 0.00 C ATOM 1317 C ALA A 85 0.612 8.588 5.008 1.00 0.00 C ATOM 1318 O ALA A 85 0.313 7.973 6.028 1.00 0.00 O ATOM 1319 CB ALA A 85 1.903 10.695 5.625 1.00 0.00 C ATOM 0 H ALA A 85 2.555 10.541 3.299 1.00 0.00 H new ATOM 0 HA ALA A 85 2.664 8.677 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.551 10.555 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.899 11.136 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.221 11.359 5.094 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.172 8.584 3.930 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.393 7.787 3.767 1.00 0.00 C ATOM 1327 C GLN A 86 -1.065 6.327 3.436 1.00 0.00 C ATOM 1328 O GLN A 86 -1.442 5.411 4.170 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.328 8.449 2.736 1.00 0.00 C ATOM 1330 CG GLN A 86 -2.937 9.749 3.290 1.00 0.00 C ATOM 1331 CD GLN A 86 -3.731 10.528 2.244 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.204 11.269 1.433 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.043 10.433 2.228 1.00 0.00 N ATOM 0 H GLN A 86 0.032 9.158 3.112 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.931 7.762 4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.772 8.665 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.126 7.756 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.590 9.509 4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.138 10.382 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.518 9.822 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.585 10.970 1.551 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.302 6.114 2.367 1.00 0.00 N ATOM 1343 CA CYS A 87 0.207 4.805 1.947 1.00 0.00 C ATOM 1344 C CYS A 87 1.105 4.109 2.990 1.00 0.00 C ATOM 1345 O CYS A 87 1.257 2.889 2.924 1.00 0.00 O ATOM 1346 CB CYS A 87 0.925 4.957 0.599 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.256 4.651 -0.749 1.00 0.00 S ATOM 0 H CYS A 87 -0.010 6.870 1.747 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.653 4.143 1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.346 5.959 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.757 4.255 0.536 1.00 0.00 H new ATOM 0 HG CYS A 87 0.393 4.362 -1.837 1.00 0.00 H new ATOM 1353 N GLN A 88 1.647 4.827 3.985 1.00 0.00 N ATOM 1354 CA GLN A 88 2.383 4.216 5.103 1.00 0.00 C ATOM 1355 C GLN A 88 1.501 3.342 6.020 1.00 0.00 C ATOM 1356 O GLN A 88 2.017 2.455 6.695 1.00 0.00 O ATOM 1357 CB GLN A 88 3.133 5.317 5.887 1.00 0.00 C ATOM 1358 CG GLN A 88 4.029 4.756 7.012 1.00 0.00 C ATOM 1359 CD GLN A 88 4.953 5.790 7.653 1.00 0.00 C ATOM 1360 OE1 GLN A 88 4.807 6.993 7.526 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.964 5.370 8.382 1.00 0.00 N ATOM 0 H GLN A 88 1.588 5.844 4.038 1.00 0.00 H new ATOM 0 HA GLN A 88 3.109 3.521 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.747 5.893 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.407 6.006 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.394 4.324 7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.635 3.945 6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.119 4.370 8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.593 6.044 8.818 1.00 0.00 H new