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 13 CYS SG : rot 180:sc=-0.00818 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.16) USER MOD Set 2.1: A 15 TYR OH : rot 30:sc= 0.688 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -177:sc= 0.901 (180deg=0.0487) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 40:sc= 0.63 USER MOD Single : A 19 TYR OH : rot -116:sc= 0.356 USER MOD Single : A 21 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0.0688) USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= 1.14 (180deg=0.265) USER MOD Single : A 28 HIS : no HE2:sc= -0.195 K(o=-0.19,f=-1.2) USER MOD Single : A 33 CYS SG : rot 43:sc= 0.581 USER MOD Single : A 37 CYS SG : rot 77:sc= 0.673 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= 0.711 K(o=0.71,f=-3.9!) USER MOD Single : A 59 SER OG : rot 22:sc= 1.73 USER MOD Single : A 60 LYS NZ :NH3+ -107:sc= 1.34 (180deg=0.557) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 1.13 (180deg=-1.08) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 1.48 (180deg=1.06) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 78 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.034) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.695 K(o=0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.292 1.081 -3.766 1.00 0.00 N ATOM 21 CA ALA A 2 4.106 2.256 -4.093 1.00 0.00 C ATOM 22 C ALA A 2 3.324 3.233 -4.997 1.00 0.00 C ATOM 23 O ALA A 2 2.495 2.804 -5.804 1.00 0.00 O ATOM 24 CB ALA A 2 5.407 1.796 -4.764 1.00 0.00 C ATOM 0 HA ALA A 2 4.351 2.793 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.017 2.665 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.958 1.147 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.172 1.248 -5.677 1.00 0.00 H new ATOM 30 N LEU A 3 3.586 4.540 -4.881 1.00 0.00 N ATOM 31 CA LEU A 3 2.852 5.568 -5.627 1.00 0.00 C ATOM 32 C LEU A 3 3.437 5.714 -7.038 1.00 0.00 C ATOM 33 O LEU A 3 4.569 6.147 -7.207 1.00 0.00 O ATOM 34 CB LEU A 3 2.865 6.905 -4.867 1.00 0.00 C ATOM 35 CG LEU A 3 1.605 7.768 -5.023 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.354 7.145 -4.405 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.849 9.123 -4.352 1.00 0.00 C ATOM 0 H LEU A 3 4.311 4.914 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 3 1.811 5.260 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.014 6.699 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.725 7.485 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 3 1.422 7.865 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.496 7.811 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.151 6.186 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.513 6.993 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.961 9.746 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.064 8.972 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.696 9.617 -4.828 1.00 0.00 H new ATOM 49 N ALA A 4 2.665 5.303 -8.028 1.00 0.00 N ATOM 50 CA ALA A 4 3.059 5.173 -9.424 1.00 0.00 C ATOM 51 C ALA A 4 2.905 6.498 -10.198 1.00 0.00 C ATOM 52 O ALA A 4 1.775 6.950 -10.409 1.00 0.00 O ATOM 53 CB ALA A 4 2.220 4.023 -10.004 1.00 0.00 C ATOM 0 H ALA A 4 1.693 5.036 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 4 4.120 4.941 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.475 3.880 -11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.428 3.106 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.161 4.266 -9.918 1.00 0.00 H new ATOM 59 N VAL A 5 4.001 7.118 -10.663 1.00 0.00 N ATOM 60 CA VAL A 5 4.003 8.406 -11.381 1.00 0.00 C ATOM 61 C VAL A 5 4.599 8.285 -12.787 1.00 0.00 C ATOM 62 O VAL A 5 5.567 7.569 -13.031 1.00 0.00 O ATOM 63 CB VAL A 5 4.707 9.524 -10.585 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.439 10.943 -11.110 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.328 9.551 -9.100 1.00 0.00 C ATOM 0 H VAL A 5 4.936 6.728 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 5 2.956 8.688 -11.487 1.00 0.00 H new ATOM 0 HB VAL A 5 5.757 9.265 -10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.972 11.666 -10.493 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.785 11.021 -12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.370 11.150 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.861 10.362 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.254 9.708 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.600 8.602 -8.638 1.00 0.00 H new ATOM 75 N ARG A 6 4.011 9.013 -13.731 1.00 0.00 N ATOM 76 CA ARG A 6 4.445 9.195 -15.127 1.00 0.00 C ATOM 77 C ARG A 6 4.606 10.680 -15.457 1.00 0.00 C ATOM 78 O ARG A 6 4.022 11.521 -14.772 1.00 0.00 O ATOM 79 CB ARG A 6 3.449 8.496 -16.080 1.00 0.00 C ATOM 80 CG ARG A 6 4.089 7.406 -16.956 1.00 0.00 C ATOM 81 CD ARG A 6 4.832 6.319 -16.164 1.00 0.00 C ATOM 82 NE ARG A 6 4.018 5.727 -15.091 1.00 0.00 N ATOM 83 CZ ARG A 6 4.466 5.048 -14.049 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.632 4.482 -13.984 1.00 0.00 N ATOM 85 NH2 ARG A 6 3.719 4.951 -12.998 1.00 0.00 N ATOM 0 H ARG A 6 3.156 9.532 -13.534 1.00 0.00 H new ATOM 0 HA ARG A 6 5.422 8.732 -15.262 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.648 8.051 -15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.991 9.246 -16.726 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.311 6.935 -17.557 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.787 7.876 -17.650 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.148 5.532 -16.848 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.736 6.747 -15.731 1.00 0.00 H new ATOM 0 HE ARG A 6 3.008 5.853 -15.158 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.274 4.545 -14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.906 3.974 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.801 5.394 -12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.048 4.431 -12.185 1.00 0.00 H new ATOM 99 N VAL A 7 5.343 11.000 -16.522 1.00 0.00 N ATOM 100 CA VAL A 7 5.584 12.352 -17.035 1.00 0.00 C ATOM 101 C VAL A 7 5.589 12.287 -18.557 1.00 0.00 C ATOM 102 O VAL A 7 6.446 11.618 -19.121 1.00 0.00 O ATOM 103 CB VAL A 7 6.923 12.951 -16.552 1.00 0.00 C ATOM 104 CG1 VAL A 7 6.989 14.438 -16.933 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.144 12.821 -15.041 1.00 0.00 C ATOM 0 H VAL A 7 5.813 10.287 -17.080 1.00 0.00 H new ATOM 0 HA VAL A 7 4.792 12.999 -16.658 1.00 0.00 H new ATOM 0 HB VAL A 7 7.709 12.378 -17.044 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.934 14.859 -16.592 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.916 14.540 -18.016 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.163 14.971 -16.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.104 13.263 -14.774 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.346 13.340 -14.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.140 11.767 -14.762 1.00 0.00 H new ATOM 115 N VAL A 8 4.632 12.932 -19.217 1.00 0.00 N ATOM 116 CA VAL A 8 4.674 13.185 -20.675 1.00 0.00 C ATOM 117 C VAL A 8 5.510 14.435 -20.951 1.00 0.00 C ATOM 118 O VAL A 8 5.193 15.491 -20.404 1.00 0.00 O ATOM 119 CB VAL A 8 3.270 13.396 -21.291 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.330 13.419 -22.827 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.251 12.327 -20.876 1.00 0.00 C ATOM 0 H VAL A 8 3.796 13.301 -18.764 1.00 0.00 H new ATOM 0 HA VAL A 8 5.114 12.300 -21.134 1.00 0.00 H new ATOM 0 HB VAL A 8 2.938 14.359 -20.902 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.328 13.569 -23.228 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.977 14.233 -23.154 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.728 12.471 -23.190 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.290 12.539 -21.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.602 11.346 -21.195 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.135 12.336 -19.792 1.00 0.00 H new ATOM 131 N TYR A 9 6.553 14.364 -21.786 1.00 0.00 N ATOM 132 CA TYR A 9 7.180 15.564 -22.362 1.00 0.00 C ATOM 133 C TYR A 9 7.889 15.296 -23.700 1.00 0.00 C ATOM 134 O TYR A 9 8.362 14.196 -23.975 1.00 0.00 O ATOM 135 CB TYR A 9 8.175 16.202 -21.371 1.00 0.00 C ATOM 136 CG TYR A 9 8.802 17.517 -21.817 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.003 18.536 -22.376 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.190 17.725 -21.664 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.582 19.738 -22.817 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.773 18.938 -22.084 1.00 0.00 C ATOM 141 CZ TYR A 9 9.970 19.937 -22.679 1.00 0.00 C ATOM 142 OH TYR A 9 10.528 21.096 -23.116 1.00 0.00 O ATOM 0 H TYR A 9 6.983 13.487 -22.080 1.00 0.00 H new ATOM 0 HA TYR A 9 6.362 16.257 -22.559 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.660 16.369 -20.425 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.975 15.487 -21.177 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.937 18.391 -22.466 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.806 16.954 -21.225 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.966 20.506 -23.260 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.832 19.103 -21.951 1.00 0.00 H new ATOM 0 HH TYR A 9 11.493 21.078 -22.947 1.00 0.00 H new ATOM 152 N SER A 10 8.038 16.342 -24.516 1.00 0.00 N ATOM 153 CA SER A 10 8.909 16.366 -25.690 1.00 0.00 C ATOM 154 C SER A 10 10.387 16.334 -25.292 1.00 0.00 C ATOM 155 O SER A 10 10.938 17.344 -24.851 1.00 0.00 O ATOM 156 CB SER A 10 8.626 17.610 -26.538 1.00 0.00 C ATOM 157 OG SER A 10 8.795 18.797 -25.790 1.00 0.00 O ATOM 0 H SER A 10 7.541 17.221 -24.373 1.00 0.00 H new ATOM 0 HA SER A 10 8.696 15.473 -26.277 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.294 17.624 -27.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.608 17.564 -26.924 1.00 0.00 H new ATOM 0 HG SER A 10 9.582 18.710 -25.212 1.00 0.00 H new ATOM 163 N GLY A 11 11.060 15.202 -25.502 1.00 0.00 N ATOM 164 CA GLY A 11 12.482 15.002 -25.184 1.00 0.00 C ATOM 165 C GLY A 11 13.500 15.960 -25.848 1.00 0.00 C ATOM 166 O GLY A 11 14.702 15.820 -25.635 1.00 0.00 O ATOM 0 H GLY A 11 10.623 14.375 -25.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.600 15.081 -24.103 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.749 13.982 -25.460 1.00 0.00 H new ATOM 170 N ALA A 12 13.051 16.919 -26.661 1.00 0.00 N ATOM 171 CA ALA A 12 13.839 17.648 -27.659 1.00 0.00 C ATOM 172 C ALA A 12 14.906 18.612 -27.101 1.00 0.00 C ATOM 173 O ALA A 12 15.806 19.014 -27.833 1.00 0.00 O ATOM 174 CB ALA A 12 12.851 18.408 -28.553 1.00 0.00 C ATOM 0 H ALA A 12 12.078 17.224 -26.640 1.00 0.00 H new ATOM 0 HA ALA A 12 14.422 16.907 -28.206 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.401 18.965 -29.311 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.180 17.699 -29.039 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.269 19.101 -27.945 1.00 0.00 H new ATOM 180 N CYS A 13 14.837 18.989 -25.820 1.00 0.00 N ATOM 181 CA CYS A 13 15.738 19.976 -25.215 1.00 0.00 C ATOM 182 C CYS A 13 16.391 19.434 -23.934 1.00 0.00 C ATOM 183 O CYS A 13 16.032 19.832 -22.824 1.00 0.00 O ATOM 184 CB CYS A 13 14.968 21.292 -25.012 1.00 0.00 C ATOM 185 SG CYS A 13 16.107 22.613 -24.493 1.00 0.00 S ATOM 0 H CYS A 13 14.148 18.614 -25.168 1.00 0.00 H new ATOM 0 HA CYS A 13 16.573 20.182 -25.885 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.468 21.576 -25.938 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.191 21.155 -24.260 1.00 0.00 H new ATOM 0 HG CYS A 13 15.443 23.718 -24.328 1.00 0.00 H new ATOM 191 N GLY A 14 17.370 18.534 -24.084 1.00 0.00 N ATOM 192 CA GLY A 14 18.195 18.012 -22.981 1.00 0.00 C ATOM 193 C GLY A 14 17.384 17.408 -21.828 1.00 0.00 C ATOM 194 O GLY A 14 17.651 17.693 -20.662 1.00 0.00 O ATOM 0 H GLY A 14 17.618 18.139 -24.991 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.870 17.252 -23.374 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.816 18.819 -22.592 1.00 0.00 H new ATOM 198 N TYR A 15 16.356 16.618 -22.153 1.00 0.00 N ATOM 199 CA TYR A 15 15.334 16.186 -21.197 1.00 0.00 C ATOM 200 C TYR A 15 15.856 15.371 -20.006 1.00 0.00 C ATOM 201 O TYR A 15 15.479 15.672 -18.879 1.00 0.00 O ATOM 202 CB TYR A 15 14.211 15.448 -21.934 1.00 0.00 C ATOM 203 CG TYR A 15 14.510 14.015 -22.362 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.461 13.746 -23.367 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.816 12.943 -21.763 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.717 12.423 -23.774 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.069 11.616 -22.164 1.00 0.00 C ATOM 208 CZ TYR A 15 15.017 11.356 -23.177 1.00 0.00 C ATOM 209 OH TYR A 15 15.281 10.078 -23.560 1.00 0.00 O ATOM 0 H TYR A 15 16.209 16.258 -23.096 1.00 0.00 H new ATOM 0 HA TYR A 15 14.946 17.098 -20.743 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.330 15.436 -21.292 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.950 16.023 -22.823 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.998 14.562 -23.829 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.086 13.141 -20.992 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.449 12.226 -24.543 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.538 10.799 -21.697 1.00 0.00 H new ATOM 0 HH TYR A 15 16.216 10.009 -23.846 1.00 0.00 H new ATOM 219 N LYS A 16 16.726 14.371 -20.216 1.00 0.00 N ATOM 220 CA LYS A 16 17.193 13.443 -19.169 1.00 0.00 C ATOM 221 C LYS A 16 17.602 14.109 -17.840 1.00 0.00 C ATOM 222 O LYS A 16 16.964 13.781 -16.844 1.00 0.00 O ATOM 223 CB LYS A 16 18.289 12.511 -19.719 1.00 0.00 C ATOM 224 CG LYS A 16 17.748 11.301 -20.501 1.00 0.00 C ATOM 225 CD LYS A 16 17.118 10.240 -19.579 1.00 0.00 C ATOM 226 CE LYS A 16 17.047 8.863 -20.256 1.00 0.00 C ATOM 227 NZ LYS A 16 15.856 8.693 -21.125 1.00 0.00 N ATOM 0 H LYS A 16 17.132 14.180 -21.132 1.00 0.00 H new ATOM 0 HA LYS A 16 16.324 12.843 -18.899 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.948 13.086 -20.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.896 12.152 -18.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.004 11.641 -21.221 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.559 10.848 -21.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.701 10.164 -18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.115 10.557 -19.294 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.947 8.713 -20.852 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.041 8.089 -19.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.842 7.727 -21.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.993 8.856 -20.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.897 9.377 -21.907 1.00 0.00 H new ATOM 241 N PRO A 17 18.576 15.038 -17.773 1.00 0.00 N ATOM 242 CA PRO A 17 18.936 15.696 -16.511 1.00 0.00 C ATOM 243 C PRO A 17 17.833 16.613 -15.956 1.00 0.00 C ATOM 244 O PRO A 17 17.700 16.728 -14.742 1.00 0.00 O ATOM 245 CB PRO A 17 20.226 16.470 -16.809 1.00 0.00 C ATOM 246 CG PRO A 17 20.147 16.735 -18.313 1.00 0.00 C ATOM 247 CD PRO A 17 19.462 15.476 -18.841 1.00 0.00 C ATOM 0 HA PRO A 17 19.074 14.955 -15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.277 17.399 -16.240 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.111 15.889 -16.550 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.571 17.633 -18.536 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.135 16.873 -18.752 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.903 15.686 -19.753 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.193 14.705 -19.086 1.00 0.00 H new ATOM 255 N LYS A 18 16.992 17.219 -16.808 1.00 0.00 N ATOM 256 CA LYS A 18 15.844 18.037 -16.371 1.00 0.00 C ATOM 257 C LYS A 18 14.762 17.185 -15.699 1.00 0.00 C ATOM 258 O LYS A 18 14.275 17.541 -14.630 1.00 0.00 O ATOM 259 CB LYS A 18 15.274 18.836 -17.549 1.00 0.00 C ATOM 260 CG LYS A 18 16.292 19.832 -18.127 1.00 0.00 C ATOM 261 CD LYS A 18 15.746 20.504 -19.391 1.00 0.00 C ATOM 262 CE LYS A 18 16.790 21.477 -19.949 1.00 0.00 C ATOM 263 NZ LYS A 18 16.328 22.085 -21.219 1.00 0.00 N ATOM 0 H LYS A 18 17.087 17.157 -17.822 1.00 0.00 H new ATOM 0 HA LYS A 18 16.203 18.742 -15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.958 18.148 -18.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.386 19.377 -17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.528 20.591 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 18 17.222 19.313 -18.359 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.501 19.750 -20.139 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.823 21.037 -19.162 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.988 22.261 -19.218 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.730 20.951 -20.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.023 22.789 -21.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.227 21.344 -21.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.409 22.549 -21.068 1.00 0.00 H new ATOM 277 N TYR A 19 14.433 16.033 -16.291 1.00 0.00 N ATOM 278 CA TYR A 19 13.599 14.995 -15.684 1.00 0.00 C ATOM 279 C TYR A 19 14.200 14.506 -14.363 1.00 0.00 C ATOM 280 O TYR A 19 13.501 14.500 -13.351 1.00 0.00 O ATOM 281 CB TYR A 19 13.441 13.813 -16.661 1.00 0.00 C ATOM 282 CG TYR A 19 12.212 13.778 -17.552 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.411 14.917 -17.791 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.856 12.543 -18.129 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.232 14.806 -18.556 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.699 12.437 -18.919 1.00 0.00 C ATOM 287 CZ TYR A 19 9.874 13.559 -19.113 1.00 0.00 C ATOM 288 OH TYR A 19 8.729 13.394 -19.814 1.00 0.00 O ATOM 0 H TYR A 19 14.748 15.792 -17.230 1.00 0.00 H new ATOM 0 HA TYR A 19 12.620 15.424 -15.472 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.320 13.794 -17.305 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.454 12.893 -16.076 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.703 15.875 -17.387 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.475 11.674 -17.963 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.605 15.671 -18.715 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.443 11.493 -19.378 1.00 0.00 H new ATOM 0 HH TYR A 19 8.147 12.760 -19.345 1.00 0.00 H new ATOM 298 N LEU A 20 15.475 14.098 -14.372 1.00 0.00 N ATOM 299 CA LEU A 20 16.172 13.598 -13.189 1.00 0.00 C ATOM 300 C LEU A 20 16.215 14.616 -12.057 1.00 0.00 C ATOM 301 O LEU A 20 16.041 14.204 -10.931 1.00 0.00 O ATOM 302 CB LEU A 20 17.611 13.208 -13.519 1.00 0.00 C ATOM 303 CG LEU A 20 17.797 11.918 -14.340 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.255 11.782 -14.781 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.425 10.673 -13.534 1.00 0.00 C ATOM 0 H LEU A 20 16.054 14.107 -15.211 1.00 0.00 H new ATOM 0 HA LEU A 20 15.603 12.727 -12.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.072 14.031 -14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.159 13.100 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 20 17.137 11.992 -15.204 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.376 10.867 -15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.531 12.639 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.899 11.743 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.570 9.785 -14.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.059 10.610 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.381 10.736 -13.228 1.00 0.00 H new ATOM 317 N GLN A 21 16.387 15.914 -12.295 1.00 0.00 N ATOM 318 CA GLN A 21 16.419 16.908 -11.229 1.00 0.00 C ATOM 319 C GLN A 21 15.159 16.825 -10.368 1.00 0.00 C ATOM 320 O GLN A 21 15.259 16.734 -9.140 1.00 0.00 O ATOM 321 CB GLN A 21 16.616 18.313 -11.830 1.00 0.00 C ATOM 322 CG GLN A 21 17.054 19.336 -10.775 1.00 0.00 C ATOM 323 CD GLN A 21 15.920 20.060 -10.038 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.562 21.180 -10.345 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.308 19.491 -9.025 1.00 0.00 N ATOM 0 H GLN A 21 16.508 16.304 -13.230 1.00 0.00 H new ATOM 0 HA GLN A 21 17.264 16.701 -10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.364 18.267 -12.622 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.685 18.644 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.675 18.827 -10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.683 20.083 -11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.574 18.551 -8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.566 19.989 -8.532 1.00 0.00 H new ATOM 334 N LEU A 22 13.983 16.854 -11.002 1.00 0.00 N ATOM 335 CA LEU A 22 12.718 16.609 -10.315 1.00 0.00 C ATOM 336 C LEU A 22 12.688 15.190 -9.722 1.00 0.00 C ATOM 337 O LEU A 22 12.389 15.034 -8.538 1.00 0.00 O ATOM 338 CB LEU A 22 11.552 16.888 -11.288 1.00 0.00 C ATOM 339 CG LEU A 22 10.147 16.694 -10.681 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.856 17.662 -9.528 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.074 16.902 -11.749 1.00 0.00 C ATOM 0 H LEU A 22 13.884 17.047 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 22 12.610 17.288 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.638 17.912 -11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.653 16.232 -12.153 1.00 0.00 H new ATOM 0 HG LEU A 22 10.126 15.676 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.853 17.477 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.585 17.510 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.922 18.688 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.088 16.762 -11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.151 17.912 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.216 16.180 -12.553 1.00 0.00 H new ATOM 353 N LYS A 23 13.010 14.160 -10.522 1.00 0.00 N ATOM 354 CA LYS A 23 12.823 12.747 -10.136 1.00 0.00 C ATOM 355 C LYS A 23 13.677 12.345 -8.939 1.00 0.00 C ATOM 356 O LYS A 23 13.158 11.783 -7.986 1.00 0.00 O ATOM 357 CB LYS A 23 13.102 11.806 -11.327 1.00 0.00 C ATOM 358 CG LYS A 23 12.142 10.630 -11.379 1.00 0.00 C ATOM 359 CD LYS A 23 12.695 9.360 -10.724 1.00 0.00 C ATOM 360 CE LYS A 23 13.522 8.546 -11.713 1.00 0.00 C ATOM 361 NZ LYS A 23 13.668 7.162 -11.210 1.00 0.00 N ATOM 0 H LYS A 23 13.407 14.281 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 23 11.779 12.647 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.030 12.371 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.124 11.433 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.212 10.909 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.898 10.416 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.311 9.629 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.871 8.753 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.039 8.540 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.503 9.002 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.870 6.523 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.451 7.122 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.786 6.867 -10.744 1.00 0.00 H new ATOM 375 N GLU A 24 14.962 12.674 -8.998 1.00 0.00 N ATOM 376 CA GLU A 24 15.944 12.578 -7.914 1.00 0.00 C ATOM 377 C GLU A 24 15.385 13.081 -6.585 1.00 0.00 C ATOM 378 O GLU A 24 15.558 12.404 -5.585 1.00 0.00 O ATOM 379 CB GLU A 24 17.197 13.393 -8.304 1.00 0.00 C ATOM 380 CG GLU A 24 18.359 13.342 -7.304 1.00 0.00 C ATOM 381 CD GLU A 24 19.423 14.384 -7.684 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.247 15.559 -7.273 1.00 0.00 O ATOM 383 OE2 GLU A 24 20.367 14.038 -8.421 1.00 0.00 O ATOM 0 H GLU A 24 15.376 13.038 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 24 16.200 11.528 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.556 13.035 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.904 14.434 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.992 13.536 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.800 12.345 -7.296 1.00 0.00 H new ATOM 390 N LYS A 25 14.705 14.235 -6.563 1.00 0.00 N ATOM 391 CA LYS A 25 14.074 14.778 -5.353 1.00 0.00 C ATOM 392 C LYS A 25 12.942 13.902 -4.830 1.00 0.00 C ATOM 393 O LYS A 25 12.975 13.442 -3.704 1.00 0.00 O ATOM 394 CB LYS A 25 13.608 16.219 -5.616 1.00 0.00 C ATOM 395 CG LYS A 25 14.350 17.204 -4.705 1.00 0.00 C ATOM 396 CD LYS A 25 15.882 17.232 -4.869 1.00 0.00 C ATOM 397 CE LYS A 25 16.269 17.465 -6.332 1.00 0.00 C ATOM 398 NZ LYS A 25 17.733 17.519 -6.529 1.00 0.00 N ATOM 0 H LYS A 25 14.577 14.821 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 25 14.823 14.787 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.784 16.478 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.534 16.296 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.964 18.206 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.117 16.960 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.304 18.021 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.307 16.290 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.852 16.667 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.825 18.398 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.971 18.320 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.203 17.641 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.057 16.634 -6.969 1.00 0.00 H new ATOM 412 N LEU A 26 11.990 13.566 -5.686 1.00 0.00 N ATOM 413 CA LEU A 26 10.861 12.699 -5.385 1.00 0.00 C ATOM 414 C LEU A 26 11.267 11.337 -4.798 1.00 0.00 C ATOM 415 O LEU A 26 10.763 10.909 -3.764 1.00 0.00 O ATOM 416 CB LEU A 26 10.103 12.527 -6.702 1.00 0.00 C ATOM 417 CG LEU A 26 8.911 13.439 -6.952 1.00 0.00 C ATOM 418 CD1 LEU A 26 7.889 13.394 -5.820 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.278 14.894 -7.226 1.00 0.00 C ATOM 0 H LEU A 26 11.982 13.903 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 26 10.245 13.154 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.811 12.668 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.755 11.496 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 26 8.468 13.032 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.060 14.063 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.514 12.377 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.362 13.710 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.370 15.473 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.816 15.301 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.911 14.949 -8.111 1.00 0.00 H new ATOM 431 N GLU A 27 12.168 10.644 -5.485 1.00 0.00 N ATOM 432 CA GLU A 27 12.794 9.396 -5.038 1.00 0.00 C ATOM 433 C GLU A 27 13.763 9.540 -3.849 1.00 0.00 C ATOM 434 O GLU A 27 13.880 8.602 -3.068 1.00 0.00 O ATOM 435 CB GLU A 27 13.500 8.748 -6.242 1.00 0.00 C ATOM 436 CG GLU A 27 12.616 7.641 -6.842 1.00 0.00 C ATOM 437 CD GLU A 27 13.074 7.106 -8.213 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.277 7.189 -8.562 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.221 6.669 -9.019 1.00 0.00 O ATOM 0 H GLU A 27 12.498 10.943 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 27 11.994 8.762 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.713 9.504 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.457 8.330 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.577 6.808 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.600 8.023 -6.940 1.00 0.00 H new ATOM 446 N HIS A 28 14.433 10.681 -3.668 1.00 0.00 N ATOM 447 CA HIS A 28 15.147 11.005 -2.419 1.00 0.00 C ATOM 448 C HIS A 28 14.193 11.148 -1.228 1.00 0.00 C ATOM 449 O HIS A 28 14.490 10.648 -0.138 1.00 0.00 O ATOM 450 CB HIS A 28 15.969 12.298 -2.567 1.00 0.00 C ATOM 451 CG HIS A 28 16.727 12.752 -1.336 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.982 12.018 -0.200 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.230 14.007 -1.125 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.649 12.803 0.662 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.847 14.018 0.133 1.00 0.00 N ATOM 0 H HIS A 28 14.499 11.409 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 28 15.818 10.169 -2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.684 12.159 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.295 13.100 -2.870 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.712 11.047 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.163 14.841 -1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.979 12.498 1.644 1.00 0.00 H new ATOM 463 N GLU A 29 13.066 11.830 -1.432 1.00 0.00 N ATOM 464 CA GLU A 29 12.082 12.150 -0.407 1.00 0.00 C ATOM 465 C GLU A 29 11.287 10.907 0.040 1.00 0.00 C ATOM 466 O GLU A 29 10.942 10.762 1.216 1.00 0.00 O ATOM 467 CB GLU A 29 11.119 13.206 -0.972 1.00 0.00 C ATOM 468 CG GLU A 29 11.409 14.660 -0.559 1.00 0.00 C ATOM 469 CD GLU A 29 12.370 15.407 -1.502 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.878 15.998 -2.498 1.00 0.00 O ATOM 471 OE2 GLU A 29 13.581 15.456 -1.188 1.00 0.00 O ATOM 0 H GLU A 29 12.807 12.187 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 29 12.606 12.530 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.140 13.145 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.106 12.953 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.467 15.207 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.830 14.663 0.446 1.00 0.00 H new ATOM 478 N PHE A 30 10.981 10.010 -0.906 1.00 0.00 N ATOM 479 CA PHE A 30 10.099 8.847 -0.738 1.00 0.00 C ATOM 480 C PHE A 30 10.712 7.517 -1.259 1.00 0.00 C ATOM 481 O PHE A 30 10.055 6.788 -2.017 1.00 0.00 O ATOM 482 CB PHE A 30 8.760 9.181 -1.424 1.00 0.00 C ATOM 483 CG PHE A 30 8.205 10.570 -1.148 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.902 10.961 0.168 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.095 11.510 -2.190 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.539 12.289 0.439 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.712 12.837 -1.924 1.00 0.00 C ATOM 488 CZ PHE A 30 7.439 13.228 -0.606 1.00 0.00 C ATOM 0 H PHE A 30 11.358 10.078 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 30 9.949 8.665 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.887 9.068 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.019 8.445 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.949 10.239 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.307 11.209 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.335 12.593 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.629 13.550 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.153 14.247 -0.392 1.00 0.00 H new ATOM 498 N PRO A 31 11.957 7.150 -0.891 1.00 0.00 N ATOM 499 CA PRO A 31 12.727 6.110 -1.574 1.00 0.00 C ATOM 500 C PRO A 31 12.071 4.737 -1.483 1.00 0.00 C ATOM 501 O PRO A 31 11.715 4.268 -0.404 1.00 0.00 O ATOM 502 CB PRO A 31 14.119 6.111 -0.947 1.00 0.00 C ATOM 503 CG PRO A 31 13.900 6.759 0.420 1.00 0.00 C ATOM 504 CD PRO A 31 12.763 7.746 0.159 1.00 0.00 C ATOM 0 HA PRO A 31 12.778 6.326 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.516 5.100 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.829 6.677 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.628 6.022 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.798 7.264 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.172 7.910 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.151 8.717 -0.149 1.00 0.00 H new ATOM 512 N GLY A 32 11.873 4.113 -2.645 1.00 0.00 N ATOM 513 CA GLY A 32 11.130 2.858 -2.853 1.00 0.00 C ATOM 514 C GLY A 32 9.693 2.793 -2.318 1.00 0.00 C ATOM 515 O GLY A 32 9.017 1.779 -2.486 1.00 0.00 O ATOM 0 H GLY A 32 12.245 4.486 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.100 2.657 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.698 2.050 -2.393 1.00 0.00 H new ATOM 519 N CYS A 33 9.198 3.861 -1.692 1.00 0.00 N ATOM 520 CA CYS A 33 7.793 4.077 -1.421 1.00 0.00 C ATOM 521 C CYS A 33 7.079 4.605 -2.684 1.00 0.00 C ATOM 522 O CYS A 33 5.851 4.610 -2.763 1.00 0.00 O ATOM 523 CB CYS A 33 7.650 5.043 -0.240 1.00 0.00 C ATOM 524 SG CYS A 33 8.845 4.764 1.109 1.00 0.00 S ATOM 0 H CYS A 33 9.790 4.619 -1.352 1.00 0.00 H new ATOM 0 HA CYS A 33 7.317 3.134 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.764 6.064 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.640 4.959 0.162 1.00 0.00 H new ATOM 0 HG CYS A 33 10.021 4.532 0.606 1.00 0.00 H new ATOM 530 N LEU A 34 7.851 5.029 -3.686 1.00 0.00 N ATOM 531 CA LEU A 34 7.406 5.672 -4.910 1.00 0.00 C ATOM 532 C LEU A 34 8.032 5.070 -6.165 1.00 0.00 C ATOM 533 O LEU A 34 9.119 4.498 -6.142 1.00 0.00 O ATOM 534 CB LEU A 34 7.766 7.175 -4.873 1.00 0.00 C ATOM 535 CG LEU A 34 6.520 8.054 -4.898 1.00 0.00 C ATOM 536 CD1 LEU A 34 5.874 8.228 -3.525 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.810 9.430 -5.493 1.00 0.00 C ATOM 0 H LEU A 34 8.865 4.923 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 34 6.328 5.519 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.344 7.389 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.400 7.418 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 34 5.813 7.523 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.993 8.864 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.579 7.254 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.587 8.691 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.897 10.026 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.571 9.932 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.169 9.316 -6.516 1.00 0.00 H new ATOM 549 N ASP A 35 7.363 5.362 -7.269 1.00 0.00 N ATOM 550 CA ASP A 35 7.823 5.268 -8.650 1.00 0.00 C ATOM 551 C ASP A 35 7.560 6.589 -9.364 1.00 0.00 C ATOM 552 O ASP A 35 6.469 7.147 -9.300 1.00 0.00 O ATOM 553 CB ASP A 35 6.994 4.179 -9.311 1.00 0.00 C ATOM 554 CG ASP A 35 6.810 4.240 -10.836 1.00 0.00 C ATOM 555 OD1 ASP A 35 7.775 4.393 -11.616 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.632 4.165 -11.265 1.00 0.00 O ATOM 0 H ASP A 35 6.402 5.700 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 35 8.889 5.047 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.448 3.219 -9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.004 4.189 -8.854 1.00 0.00 H new ATOM 561 N ILE A 36 8.532 7.027 -10.139 1.00 0.00 N ATOM 562 CA ILE A 36 8.366 8.026 -11.177 1.00 0.00 C ATOM 563 C ILE A 36 9.159 7.578 -12.410 1.00 0.00 C ATOM 564 O ILE A 36 10.396 7.503 -12.430 1.00 0.00 O ATOM 565 CB ILE A 36 8.854 9.414 -10.755 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.708 9.841 -9.279 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.340 10.507 -11.709 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.997 9.502 -8.513 1.00 0.00 C ATOM 0 H ILE A 36 9.490 6.687 -10.061 1.00 0.00 H new ATOM 0 HA ILE A 36 7.300 8.109 -11.387 1.00 0.00 H new ATOM 0 HB ILE A 36 9.934 9.298 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.507 10.911 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.859 9.331 -8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.706 11.479 -11.379 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.700 10.307 -12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.250 10.509 -11.706 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.891 9.804 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.178 8.428 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.837 10.033 -8.961 1.00 0.00 H new ATOM 580 N CYS A 37 8.412 7.358 -13.469 1.00 0.00 N ATOM 581 CA CYS A 37 8.911 7.204 -14.824 1.00 0.00 C ATOM 582 C CYS A 37 8.450 8.370 -15.705 1.00 0.00 C ATOM 583 O CYS A 37 7.708 9.251 -15.277 1.00 0.00 O ATOM 584 CB CYS A 37 8.478 5.837 -15.352 1.00 0.00 C ATOM 585 SG CYS A 37 9.317 4.500 -14.457 1.00 0.00 S ATOM 0 H CYS A 37 7.397 7.278 -13.411 1.00 0.00 H new ATOM 0 HA CYS A 37 10.000 7.236 -14.839 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.398 5.728 -15.248 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.704 5.766 -16.416 1.00 0.00 H new ATOM 0 HG CYS A 37 8.766 4.346 -13.290 1.00 0.00 H new ATOM 591 N GLY A 38 8.899 8.378 -16.955 1.00 0.00 N ATOM 592 CA GLY A 38 8.479 9.327 -17.983 1.00 0.00 C ATOM 593 C GLY A 38 8.155 8.627 -19.301 1.00 0.00 C ATOM 594 O GLY A 38 8.342 7.420 -19.434 1.00 0.00 O ATOM 0 H GLY A 38 9.586 7.704 -17.293 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.602 9.874 -17.637 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.269 10.061 -18.145 1.00 0.00 H new ATOM 598 N GLU A 39 7.677 9.408 -20.259 1.00 0.00 N ATOM 599 CA GLU A 39 6.969 9.081 -21.480 1.00 0.00 C ATOM 600 C GLU A 39 7.227 10.245 -22.461 1.00 0.00 C ATOM 601 O GLU A 39 7.275 11.422 -22.096 1.00 0.00 O ATOM 602 CB GLU A 39 5.476 8.861 -21.124 1.00 0.00 C ATOM 603 CG GLU A 39 4.416 9.354 -22.121 1.00 0.00 C ATOM 604 CD GLU A 39 4.615 8.884 -23.562 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.372 7.912 -23.783 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.110 9.585 -24.467 1.00 0.00 O ATOM 0 H GLU A 39 7.795 10.418 -20.183 1.00 0.00 H new ATOM 0 HA GLU A 39 7.306 8.162 -21.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.322 7.792 -20.975 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.286 9.347 -20.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.436 9.023 -21.779 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.406 10.444 -22.108 1.00 0.00 H new ATOM 702 N PHE A 47 3.556 19.439 -24.896 1.00 0.00 N ATOM 703 CA PHE A 47 3.108 19.589 -23.518 1.00 0.00 C ATOM 704 C PHE A 47 4.032 18.845 -22.534 1.00 0.00 C ATOM 705 O PHE A 47 4.630 17.832 -22.893 1.00 0.00 O ATOM 706 CB PHE A 47 1.678 19.028 -23.437 1.00 0.00 C ATOM 707 CG PHE A 47 0.693 19.468 -24.518 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.721 20.775 -25.051 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.275 18.556 -24.987 1.00 0.00 C ATOM 710 CE1 PHE A 47 -0.214 21.165 -26.027 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.206 18.944 -25.967 1.00 0.00 C ATOM 712 CZ PHE A 47 -1.177 20.250 -26.484 1.00 0.00 C ATOM 0 HA PHE A 47 3.133 20.642 -23.236 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.740 17.940 -23.459 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.261 19.304 -22.468 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.464 21.479 -24.708 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.302 17.552 -24.590 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.191 22.169 -26.425 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.943 18.239 -26.322 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.895 20.550 -27.233 1.00 0.00 H new ATOM 722 N PHE A 48 4.100 19.321 -21.285 1.00 0.00 N ATOM 723 CA PHE A 48 4.869 18.747 -20.168 1.00 0.00 C ATOM 724 C PHE A 48 3.898 18.446 -19.019 1.00 0.00 C ATOM 725 O PHE A 48 3.459 19.371 -18.330 1.00 0.00 O ATOM 726 CB PHE A 48 6.010 19.696 -19.735 1.00 0.00 C ATOM 727 CG PHE A 48 7.114 19.091 -18.874 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.823 18.370 -17.697 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.464 19.303 -19.219 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.857 17.865 -16.892 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.501 18.789 -18.422 1.00 0.00 C ATOM 732 CZ PHE A 48 9.198 18.075 -17.251 1.00 0.00 C ATOM 0 H PHE A 48 3.594 20.162 -21.009 1.00 0.00 H new ATOM 0 HA PHE A 48 5.348 17.819 -20.479 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.468 20.110 -20.633 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.570 20.530 -19.188 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.794 18.205 -17.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.705 19.868 -20.107 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.620 17.314 -15.994 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.531 18.943 -18.710 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.993 17.689 -16.630 1.00 0.00 H new ATOM 742 N GLU A 49 3.518 17.185 -18.819 1.00 0.00 N ATOM 743 CA GLU A 49 2.355 16.783 -18.045 1.00 0.00 C ATOM 744 C GLU A 49 2.740 15.710 -17.005 1.00 0.00 C ATOM 745 O GLU A 49 3.391 14.739 -17.383 1.00 0.00 O ATOM 746 CB GLU A 49 1.361 16.180 -19.047 1.00 0.00 C ATOM 747 CG GLU A 49 1.110 16.928 -20.370 1.00 0.00 C ATOM 748 CD GLU A 49 0.262 18.183 -20.201 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.761 19.282 -19.859 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.955 18.104 -20.463 1.00 0.00 O ATOM 0 H GLU A 49 4.031 16.393 -19.206 1.00 0.00 H new ATOM 0 HA GLU A 49 1.934 17.634 -17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.706 15.176 -19.294 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.402 16.072 -18.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.068 17.202 -20.812 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.616 16.256 -21.071 1.00 0.00 H new ATOM 757 N VAL A 50 2.341 15.823 -15.728 1.00 0.00 N ATOM 758 CA VAL A 50 2.721 14.845 -14.670 1.00 0.00 C ATOM 759 C VAL A 50 1.491 14.223 -14.020 1.00 0.00 C ATOM 760 O VAL A 50 0.635 14.953 -13.513 1.00 0.00 O ATOM 761 CB VAL A 50 3.590 15.471 -13.561 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.990 14.447 -12.488 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.889 16.095 -14.083 1.00 0.00 C ATOM 0 H VAL A 50 1.751 16.584 -15.392 1.00 0.00 H new ATOM 0 HA VAL A 50 3.305 14.079 -15.180 1.00 0.00 H new ATOM 0 HB VAL A 50 2.954 16.249 -13.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.601 14.935 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.093 14.037 -12.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.560 13.641 -12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.451 16.516 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.489 15.329 -14.574 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.652 16.884 -14.797 1.00 0.00 H new ATOM 773 N THR A 51 1.431 12.887 -13.978 1.00 0.00 N ATOM 774 CA THR A 51 0.323 12.105 -13.417 1.00 0.00 C ATOM 775 C THR A 51 0.802 11.151 -12.320 1.00 0.00 C ATOM 776 O THR A 51 1.664 10.316 -12.579 1.00 0.00 O ATOM 777 CB THR A 51 -0.349 11.226 -14.493 1.00 0.00 C ATOM 778 OG1 THR A 51 0.166 11.385 -15.796 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.846 11.472 -14.567 1.00 0.00 C ATOM 0 H THR A 51 2.179 12.300 -14.347 1.00 0.00 H new ATOM 0 HA THR A 51 -0.378 12.836 -13.015 1.00 0.00 H new ATOM 0 HB THR A 51 -0.127 10.212 -14.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.313 10.792 -16.412 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.282 10.834 -15.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.301 11.241 -13.604 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.031 12.517 -14.814 1.00 0.00 H new ATOM 787 N VAL A 52 0.208 11.199 -11.126 1.00 0.00 N ATOM 788 CA VAL A 52 0.452 10.322 -9.969 1.00 0.00 C ATOM 789 C VAL A 52 -0.799 9.499 -9.681 1.00 0.00 C ATOM 790 O VAL A 52 -1.883 10.057 -9.575 1.00 0.00 O ATOM 791 CB VAL A 52 0.888 11.144 -8.735 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.000 12.351 -8.409 1.00 0.00 C ATOM 793 CG2 VAL A 52 0.973 10.271 -7.477 1.00 0.00 C ATOM 0 H VAL A 52 -0.506 11.898 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 52 1.269 9.640 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 52 1.868 11.526 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.389 12.861 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.004 13.039 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.017 12.012 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.282 10.883 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.004 9.833 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.701 9.475 -7.635 1.00 0.00 H new ATOM 803 N ALA A 53 -0.679 8.174 -9.590 1.00 0.00 N ATOM 804 CA ALA A 53 -1.797 7.234 -9.400 1.00 0.00 C ATOM 805 C ALA A 53 -3.044 7.522 -10.286 1.00 0.00 C ATOM 806 O ALA A 53 -4.184 7.322 -9.867 1.00 0.00 O ATOM 807 CB ALA A 53 -2.115 7.172 -7.897 1.00 0.00 C ATOM 0 H ALA A 53 0.225 7.705 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.484 6.251 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.941 6.481 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.236 6.826 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.394 8.164 -7.543 1.00 0.00 H new ATOM 813 N GLY A 54 -2.843 8.040 -11.507 1.00 0.00 N ATOM 814 CA GLY A 54 -3.922 8.444 -12.419 1.00 0.00 C ATOM 815 C GLY A 54 -4.522 9.831 -12.139 1.00 0.00 C ATOM 816 O GLY A 54 -5.660 10.089 -12.522 1.00 0.00 O ATOM 0 H GLY A 54 -1.912 8.192 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.540 8.429 -13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.719 7.702 -12.366 1.00 0.00 H new ATOM 820 N LYS A 55 -3.791 10.724 -11.460 1.00 0.00 N ATOM 821 CA LYS A 55 -4.181 12.087 -11.062 1.00 0.00 C ATOM 822 C LYS A 55 -3.148 13.095 -11.566 1.00 0.00 C ATOM 823 O LYS A 55 -1.982 13.019 -11.183 1.00 0.00 O ATOM 824 CB LYS A 55 -4.318 12.189 -9.536 1.00 0.00 C ATOM 825 CG LYS A 55 -5.058 11.043 -8.829 1.00 0.00 C ATOM 826 CD LYS A 55 -6.533 10.937 -9.232 1.00 0.00 C ATOM 827 CE LYS A 55 -7.095 9.616 -8.702 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.473 9.382 -9.195 1.00 0.00 N ATOM 0 H LYS A 55 -2.845 10.500 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.149 12.314 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.318 12.262 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.833 13.121 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.558 10.102 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.992 11.187 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.097 11.777 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.632 10.981 -10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.451 8.793 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.093 9.629 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.828 8.479 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.091 10.156 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.468 9.346 -10.234 1.00 0.00 H new ATOM 842 N LEU A 56 -3.528 13.983 -12.484 1.00 0.00 N ATOM 843 CA LEU A 56 -2.637 15.037 -12.973 1.00 0.00 C ATOM 844 C LEU A 56 -2.381 16.111 -11.911 1.00 0.00 C ATOM 845 O LEU A 56 -3.304 16.680 -11.335 1.00 0.00 O ATOM 846 CB LEU A 56 -3.166 15.585 -14.301 1.00 0.00 C ATOM 847 CG LEU A 56 -2.308 16.714 -14.905 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.205 16.544 -16.422 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.907 18.093 -14.604 1.00 0.00 C ATOM 0 H LEU A 56 -4.456 13.993 -12.908 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.653 14.613 -13.173 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.229 14.768 -15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.180 15.955 -14.150 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.319 16.651 -14.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.597 17.347 -16.838 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.743 15.584 -16.650 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.202 16.580 -16.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.278 18.867 -15.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.909 18.155 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.961 18.239 -13.525 1.00 0.00 H new ATOM 861 N VAL A 57 -1.097 16.389 -11.697 1.00 0.00 N ATOM 862 CA VAL A 57 -0.584 17.364 -10.710 1.00 0.00 C ATOM 863 C VAL A 57 0.242 18.472 -11.368 1.00 0.00 C ATOM 864 O VAL A 57 0.396 19.561 -10.806 1.00 0.00 O ATOM 865 CB VAL A 57 0.207 16.617 -9.620 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.020 17.525 -8.685 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.760 15.825 -8.728 1.00 0.00 C ATOM 0 H VAL A 57 -0.351 15.931 -12.220 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.431 17.868 -10.243 1.00 0.00 H new ATOM 0 HB VAL A 57 0.904 15.981 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.544 16.914 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.745 18.092 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.349 18.214 -8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.196 15.298 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.464 16.510 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.307 15.104 -9.335 1.00 0.00 H new ATOM 877 N HIS A 58 0.724 18.225 -12.587 1.00 0.00 N ATOM 878 CA HIS A 58 1.366 19.239 -13.416 1.00 0.00 C ATOM 879 C HIS A 58 0.873 19.190 -14.854 1.00 0.00 C ATOM 880 O HIS A 58 0.617 18.127 -15.410 1.00 0.00 O ATOM 881 CB HIS A 58 2.867 18.999 -13.425 1.00 0.00 C ATOM 882 CG HIS A 58 3.678 20.096 -14.069 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.508 21.453 -13.907 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.582 19.911 -15.083 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.265 22.061 -14.833 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.958 21.170 -15.549 1.00 0.00 N ATOM 0 H HIS A 58 0.678 17.306 -13.028 1.00 0.00 H new ATOM 0 HA HIS A 58 1.120 20.214 -12.994 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.207 18.871 -12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.068 18.063 -13.947 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.917 21.910 -13.213 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.938 18.961 -15.454 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.309 23.130 -14.981 1.00 0.00 H new ATOM 894 N SER A 59 0.835 20.360 -15.472 1.00 0.00 N ATOM 895 CA SER A 59 0.671 20.567 -16.898 1.00 0.00 C ATOM 896 C SER A 59 1.204 21.940 -17.308 1.00 0.00 C ATOM 897 O SER A 59 0.602 22.967 -16.965 1.00 0.00 O ATOM 898 CB SER A 59 -0.814 20.505 -17.210 1.00 0.00 C ATOM 899 OG SER A 59 -1.061 20.636 -18.593 1.00 0.00 O ATOM 0 H SER A 59 0.923 21.238 -14.961 1.00 0.00 H new ATOM 0 HA SER A 59 1.224 19.802 -17.444 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.221 19.558 -16.855 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.333 21.297 -16.671 1.00 0.00 H new ATOM 0 HG SER A 59 -0.255 20.392 -19.094 1.00 0.00 H new ATOM 905 N LYS A 60 2.305 22.014 -18.059 1.00 0.00 N ATOM 906 CA LYS A 60 2.639 23.250 -18.783 1.00 0.00 C ATOM 907 C LYS A 60 1.584 23.622 -19.828 1.00 0.00 C ATOM 908 O LYS A 60 1.415 24.808 -20.076 1.00 0.00 O ATOM 909 CB LYS A 60 4.028 23.133 -19.421 1.00 0.00 C ATOM 910 CG LYS A 60 5.142 23.559 -18.452 1.00 0.00 C ATOM 911 CD LYS A 60 5.349 25.086 -18.372 1.00 0.00 C ATOM 912 CE LYS A 60 6.215 25.375 -17.141 1.00 0.00 C ATOM 913 NZ LYS A 60 6.733 26.769 -17.047 1.00 0.00 N ATOM 0 H LYS A 60 2.971 21.251 -18.183 1.00 0.00 H new ATOM 0 HA LYS A 60 2.651 24.060 -18.054 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.196 22.104 -19.738 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.069 23.753 -20.317 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.909 23.181 -17.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.077 23.091 -18.760 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.834 25.454 -19.276 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.390 25.598 -18.294 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.631 25.160 -16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.062 24.688 -17.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.751 26.776 -17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.233 27.372 -17.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.577 27.133 -16.085 1.00 0.00 H new ATOM 927 N LYS A 61 0.835 22.661 -20.383 1.00 0.00 N ATOM 928 CA LYS A 61 -0.284 22.934 -21.303 1.00 0.00 C ATOM 929 C LYS A 61 -1.449 23.679 -20.650 1.00 0.00 C ATOM 930 O LYS A 61 -2.013 24.564 -21.282 1.00 0.00 O ATOM 931 CB LYS A 61 -0.705 21.615 -21.953 1.00 0.00 C ATOM 932 CG LYS A 61 -1.909 21.680 -22.916 1.00 0.00 C ATOM 933 CD LYS A 61 -3.299 21.467 -22.280 1.00 0.00 C ATOM 934 CE LYS A 61 -3.387 20.236 -21.365 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.832 19.021 -22.006 1.00 0.00 N ATOM 0 H LYS A 61 0.986 21.668 -20.208 1.00 0.00 H new ATOM 0 HA LYS A 61 0.058 23.624 -22.074 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.149 21.215 -22.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.938 20.903 -21.161 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.902 22.652 -23.409 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.768 20.928 -23.693 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.563 22.354 -21.704 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.039 21.370 -23.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.848 20.435 -20.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.428 20.059 -21.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.412 18.197 -21.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.838 19.140 -23.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.856 18.872 -21.680 1.00 0.00 H new ATOM 949 N ARG A 62 -1.824 23.347 -19.406 1.00 0.00 N ATOM 950 CA ARG A 62 -2.858 24.097 -18.673 1.00 0.00 C ATOM 951 C ARG A 62 -2.402 25.487 -18.224 1.00 0.00 C ATOM 952 O ARG A 62 -3.244 26.323 -17.923 1.00 0.00 O ATOM 953 CB ARG A 62 -3.410 23.266 -17.498 1.00 0.00 C ATOM 954 CG ARG A 62 -2.787 23.604 -16.133 1.00 0.00 C ATOM 955 CD ARG A 62 -3.322 22.770 -14.972 1.00 0.00 C ATOM 956 NE ARG A 62 -2.646 23.201 -13.737 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.062 23.068 -12.489 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.204 22.509 -12.197 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.359 23.508 -11.488 1.00 0.00 N ATOM 0 H ARG A 62 -1.428 22.565 -18.885 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.670 24.274 -19.379 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.488 23.415 -17.439 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.245 22.209 -17.707 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.708 23.467 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.962 24.658 -15.918 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.400 22.899 -14.878 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.142 21.710 -15.152 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.743 23.660 -13.860 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.806 22.159 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.495 22.422 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.464 23.968 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.702 23.393 -10.534 1.00 0.00 H new ATOM 973 N GLY A 63 -1.091 25.693 -18.096 1.00 0.00 N ATOM 974 CA GLY A 63 -0.520 26.891 -17.484 1.00 0.00 C ATOM 975 C GLY A 63 -0.283 26.753 -15.984 1.00 0.00 C ATOM 976 O GLY A 63 -0.345 27.735 -15.255 1.00 0.00 O ATOM 0 H GLY A 63 -0.390 25.026 -18.418 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.426 27.124 -17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.187 27.734 -17.662 1.00 0.00 H new ATOM 980 N ASP A 64 0.025 25.536 -15.514 1.00 0.00 N ATOM 981 CA ASP A 64 0.440 25.319 -14.123 1.00 0.00 C ATOM 982 C ASP A 64 1.726 26.082 -13.779 1.00 0.00 C ATOM 983 O ASP A 64 1.850 26.657 -12.702 1.00 0.00 O ATOM 984 CB ASP A 64 0.677 23.818 -13.862 1.00 0.00 C ATOM 985 CG ASP A 64 0.929 23.513 -12.380 1.00 0.00 C ATOM 986 OD1 ASP A 64 0.293 24.146 -11.509 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.800 22.674 -12.072 1.00 0.00 O ATOM 0 H ASP A 64 -0.006 24.687 -16.078 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.367 25.693 -13.492 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.189 23.252 -14.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.531 23.481 -14.450 1.00 0.00 H new ATOM 992 N GLY A 65 2.723 25.991 -14.660 1.00 0.00 N ATOM 993 CA GLY A 65 4.117 26.283 -14.306 1.00 0.00 C ATOM 994 C GLY A 65 4.810 25.117 -13.574 1.00 0.00 C ATOM 995 O GLY A 65 4.166 24.359 -12.849 1.00 0.00 O ATOM 0 H GLY A 65 2.591 25.715 -15.633 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.675 26.518 -15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.147 27.171 -13.674 1.00 0.00 H new ATOM 999 N TYR A 66 6.117 24.963 -13.791 1.00 0.00 N ATOM 1000 CA TYR A 66 7.051 23.973 -13.237 1.00 0.00 C ATOM 1001 C TYR A 66 7.197 24.104 -11.702 1.00 0.00 C ATOM 1002 O TYR A 66 6.350 24.663 -11.002 1.00 0.00 O ATOM 1003 CB TYR A 66 8.428 24.197 -13.914 1.00 0.00 C ATOM 1004 CG TYR A 66 8.572 23.983 -15.405 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.135 22.783 -15.999 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.297 24.923 -16.167 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.401 22.532 -17.357 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.554 24.679 -17.531 1.00 0.00 C ATOM 1009 CZ TYR A 66 9.106 23.482 -18.128 1.00 0.00 C ATOM 1010 OH TYR A 66 9.358 23.250 -19.440 1.00 0.00 O ATOM 0 H TYR A 66 6.602 25.596 -14.427 1.00 0.00 H new ATOM 0 HA TYR A 66 6.667 22.972 -13.435 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.733 25.221 -13.701 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.145 23.541 -13.420 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.595 22.055 -15.411 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.656 25.831 -15.705 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.066 21.611 -17.811 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.093 25.407 -18.118 1.00 0.00 H new ATOM 0 HH TYR A 66 9.852 24.008 -19.817 1.00 0.00 H new ATOM 1020 N VAL A 67 8.344 23.684 -11.165 1.00 0.00 N ATOM 1021 CA VAL A 67 9.025 24.355 -10.044 1.00 0.00 C ATOM 1022 C VAL A 67 9.495 25.793 -10.330 1.00 0.00 C ATOM 1023 O VAL A 67 10.547 26.271 -9.926 1.00 0.00 O ATOM 1024 CB VAL A 67 10.194 23.546 -9.519 1.00 0.00 C ATOM 1025 CG1 VAL A 67 9.766 22.122 -9.138 1.00 0.00 C ATOM 1026 CG2 VAL A 67 11.403 23.388 -10.457 1.00 0.00 C ATOM 0 H VAL A 67 8.838 22.856 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 67 8.247 24.425 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 67 10.513 24.145 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.629 21.570 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.002 22.167 -8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.363 21.616 -10.015 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.170 22.790 -9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.089 22.891 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.808 24.371 -10.697 1.00 0.00 H new ATOM 1036 N ASP A 68 8.616 26.522 -10.974 1.00 0.00 N ATOM 1037 CA ASP A 68 8.674 27.948 -11.278 1.00 0.00 C ATOM 1038 C ASP A 68 8.639 28.833 -10.002 1.00 0.00 C ATOM 1039 O ASP A 68 8.657 30.059 -10.060 1.00 0.00 O ATOM 1040 CB ASP A 68 7.520 28.244 -12.233 1.00 0.00 C ATOM 1041 CG ASP A 68 7.795 27.898 -13.716 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.957 27.871 -14.167 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.831 27.537 -14.439 1.00 0.00 O ATOM 0 H ASP A 68 7.760 26.102 -11.336 1.00 0.00 H new ATOM 0 HA ASP A 68 9.625 28.196 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.643 27.688 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.272 29.303 -12.162 1.00 0.00 H new ATOM 1048 N THR A 69 8.555 28.218 -8.817 1.00 0.00 N ATOM 1049 CA THR A 69 8.785 28.793 -7.477 1.00 0.00 C ATOM 1050 C THR A 69 9.111 27.660 -6.499 1.00 0.00 C ATOM 1051 O THR A 69 8.805 26.494 -6.755 1.00 0.00 O ATOM 1052 CB THR A 69 7.546 29.536 -6.949 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.835 30.203 -7.962 1.00 0.00 O ATOM 1054 CG2 THR A 69 7.792 30.606 -5.898 1.00 0.00 C ATOM 0 H THR A 69 8.306 27.231 -8.760 1.00 0.00 H new ATOM 0 HA THR A 69 9.608 29.503 -7.558 1.00 0.00 H new ATOM 0 HB THR A 69 6.995 28.707 -6.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.058 30.656 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.843 31.055 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.263 30.156 -5.024 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.447 31.375 -6.308 1.00 0.00 H new ATOM 1062 N GLU A 70 9.578 28.008 -5.305 1.00 0.00 N ATOM 1063 CA GLU A 70 9.710 27.079 -4.165 1.00 0.00 C ATOM 1064 C GLU A 70 8.363 26.449 -3.845 1.00 0.00 C ATOM 1065 O GLU A 70 8.169 25.243 -3.930 1.00 0.00 O ATOM 1066 CB GLU A 70 10.243 27.836 -2.933 1.00 0.00 C ATOM 1067 CG GLU A 70 11.180 27.003 -2.040 1.00 0.00 C ATOM 1068 CD GLU A 70 10.476 26.152 -0.964 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.254 25.898 -1.041 1.00 0.00 O ATOM 1070 OE2 GLU A 70 11.157 25.767 0.009 1.00 0.00 O ATOM 0 H GLU A 70 9.883 28.957 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 70 10.413 26.290 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.775 28.726 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.397 28.177 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.769 26.342 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.880 27.677 -1.547 1.00 0.00 H new ATOM 1077 N SER A 71 7.380 27.323 -3.652 1.00 0.00 N ATOM 1078 CA SER A 71 5.987 26.952 -3.353 1.00 0.00 C ATOM 1079 C SER A 71 5.415 25.989 -4.399 1.00 0.00 C ATOM 1080 O SER A 71 4.707 25.025 -4.115 1.00 0.00 O ATOM 1081 CB SER A 71 5.151 28.232 -3.319 1.00 0.00 C ATOM 1082 OG SER A 71 3.860 27.979 -2.814 1.00 0.00 O ATOM 0 H SER A 71 7.525 28.332 -3.698 1.00 0.00 H new ATOM 0 HA SER A 71 5.958 26.439 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.648 28.979 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.077 28.649 -4.323 1.00 0.00 H new ATOM 0 HG SER A 71 3.345 28.813 -2.800 1.00 0.00 H new ATOM 1088 N LYS A 72 5.797 26.235 -5.652 1.00 0.00 N ATOM 1089 CA LYS A 72 5.361 25.537 -6.858 1.00 0.00 C ATOM 1090 C LYS A 72 5.938 24.130 -7.011 1.00 0.00 C ATOM 1091 O LYS A 72 5.280 23.260 -7.595 1.00 0.00 O ATOM 1092 CB LYS A 72 5.818 26.412 -8.036 1.00 0.00 C ATOM 1093 CG LYS A 72 4.831 27.472 -8.549 1.00 0.00 C ATOM 1094 CD LYS A 72 4.058 27.014 -9.778 1.00 0.00 C ATOM 1095 CE LYS A 72 3.187 25.829 -9.399 1.00 0.00 C ATOM 1096 NZ LYS A 72 2.689 25.186 -10.625 1.00 0.00 N ATOM 0 H LYS A 72 6.464 26.977 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 72 4.281 25.396 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.737 26.920 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.069 25.754 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.127 27.721 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.377 28.384 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.442 27.828 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.748 26.735 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.760 25.116 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.352 26.159 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.812 24.668 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.497 25.912 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.405 24.523 -10.985 1.00 0.00 H new ATOM 1110 N PHE A 73 7.131 23.914 -6.464 1.00 0.00 N ATOM 1111 CA PHE A 73 7.660 22.600 -6.070 1.00 0.00 C ATOM 1112 C PHE A 73 6.950 22.031 -4.833 1.00 0.00 C ATOM 1113 O PHE A 73 6.312 20.984 -4.923 1.00 0.00 O ATOM 1114 CB PHE A 73 9.180 22.686 -5.821 1.00 0.00 C ATOM 1115 CG PHE A 73 9.870 21.375 -5.470 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.586 20.183 -6.171 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.807 21.348 -4.417 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.203 18.974 -5.797 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.429 20.142 -4.050 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.113 18.953 -4.725 1.00 0.00 C ATOM 0 H PHE A 73 7.784 24.674 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 73 7.467 21.916 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.653 23.096 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.357 23.395 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.892 20.199 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.048 22.259 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.978 18.064 -6.333 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.151 20.130 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.569 18.022 -4.421 1.00 0.00 H new ATOM 1130 N ARG A 74 7.016 22.723 -3.689 1.00 0.00 N ATOM 1131 CA ARG A 74 6.555 22.315 -2.350 1.00 0.00 C ATOM 1132 C ARG A 74 5.097 21.851 -2.314 1.00 0.00 C ATOM 1133 O ARG A 74 4.773 20.958 -1.534 1.00 0.00 O ATOM 1134 CB ARG A 74 6.817 23.483 -1.372 1.00 0.00 C ATOM 1135 CG ARG A 74 6.679 23.095 0.112 1.00 0.00 C ATOM 1136 CD ARG A 74 6.876 24.276 1.081 1.00 0.00 C ATOM 1137 NE ARG A 74 8.295 24.646 1.287 1.00 0.00 N ATOM 1138 CZ ARG A 74 8.960 24.800 2.423 1.00 0.00 C ATOM 1139 NH1 ARG A 74 8.402 24.663 3.596 1.00 0.00 N ATOM 1140 NH2 ARG A 74 10.219 25.112 2.434 1.00 0.00 N ATOM 0 H ARG A 74 7.425 23.657 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 74 7.122 21.435 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.821 23.871 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.121 24.292 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.692 22.663 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.409 22.319 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.336 25.142 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.432 24.023 2.044 1.00 0.00 H new ATOM 0 HE ARG A 74 8.836 24.804 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.412 24.427 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.956 24.792 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.719 25.244 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.709 25.225 3.322 1.00 0.00 H new ATOM 1154 N LYS A 75 4.236 22.379 -3.194 1.00 0.00 N ATOM 1155 CA LYS A 75 2.843 21.965 -3.389 1.00 0.00 C ATOM 1156 C LYS A 75 2.746 20.494 -3.793 1.00 0.00 C ATOM 1157 O LYS A 75 1.855 19.782 -3.348 1.00 0.00 O ATOM 1158 CB LYS A 75 2.159 22.947 -4.373 1.00 0.00 C ATOM 1159 CG LYS A 75 2.592 22.884 -5.851 1.00 0.00 C ATOM 1160 CD LYS A 75 1.794 21.867 -6.689 1.00 0.00 C ATOM 1161 CE LYS A 75 1.892 22.097 -8.209 1.00 0.00 C ATOM 1162 NZ LYS A 75 3.212 21.728 -8.778 1.00 0.00 N ATOM 0 H LYS A 75 4.505 23.141 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 75 2.296 22.022 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.084 22.774 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.334 23.961 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.481 23.873 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.651 22.630 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.150 20.863 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.746 21.909 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.115 21.517 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.693 23.147 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.211 21.907 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.956 22.299 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.396 20.719 -8.603 1.00 0.00 H new ATOM 1176 N LEU A 76 3.718 20.030 -4.580 1.00 0.00 N ATOM 1177 CA LEU A 76 3.853 18.637 -4.993 1.00 0.00 C ATOM 1178 C LEU A 76 4.490 17.810 -3.890 1.00 0.00 C ATOM 1179 O LEU A 76 3.928 16.798 -3.489 1.00 0.00 O ATOM 1180 CB LEU A 76 4.645 18.613 -6.319 1.00 0.00 C ATOM 1181 CG LEU A 76 4.656 17.279 -7.088 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.963 17.525 -8.571 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.744 16.347 -6.567 1.00 0.00 C ATOM 0 H LEU A 76 4.451 20.631 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 76 2.879 18.179 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.236 19.382 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.677 18.892 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 76 3.673 16.829 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.968 16.574 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.200 18.176 -8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.940 18.000 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.725 15.414 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.718 16.823 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.568 16.137 -5.512 1.00 0.00 H new ATOM 1195 N VAL A 77 5.607 18.284 -3.349 1.00 0.00 N ATOM 1196 CA VAL A 77 6.331 17.565 -2.281 1.00 0.00 C ATOM 1197 C VAL A 77 5.406 17.246 -1.121 1.00 0.00 C ATOM 1198 O VAL A 77 5.339 16.118 -0.635 1.00 0.00 O ATOM 1199 CB VAL A 77 7.548 18.357 -1.755 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.371 17.535 -0.758 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.482 18.781 -2.882 1.00 0.00 C ATOM 0 H VAL A 77 6.040 19.165 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 77 6.696 16.640 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 77 7.134 19.238 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.218 18.126 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.746 17.262 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.735 16.631 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.324 19.335 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.850 17.896 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.941 19.415 -3.584 1.00 0.00 H new ATOM 1211 N THR A 78 4.615 18.236 -0.725 1.00 0.00 N ATOM 1212 CA THR A 78 3.665 18.105 0.369 1.00 0.00 C ATOM 1213 C THR A 78 2.542 17.147 0.035 1.00 0.00 C ATOM 1214 O THR A 78 2.177 16.330 0.883 1.00 0.00 O ATOM 1215 CB THR A 78 3.115 19.474 0.801 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.190 20.347 1.060 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.285 19.405 2.082 1.00 0.00 C ATOM 0 H THR A 78 4.616 19.159 -1.159 1.00 0.00 H new ATOM 0 HA THR A 78 4.210 17.681 1.213 1.00 0.00 H new ATOM 0 HB THR A 78 2.480 19.821 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.529 20.708 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.924 20.402 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.435 18.740 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.902 19.024 2.896 1.00 0.00 H new ATOM 1225 N ALA A 79 2.047 17.181 -1.203 1.00 0.00 N ATOM 1226 CA ALA A 79 0.911 16.343 -1.571 1.00 0.00 C ATOM 1227 C ALA A 79 1.301 14.890 -1.823 1.00 0.00 C ATOM 1228 O ALA A 79 0.549 13.972 -1.491 1.00 0.00 O ATOM 1229 CB ALA A 79 0.189 16.965 -2.769 1.00 0.00 C ATOM 0 H ALA A 79 2.408 17.769 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 79 0.226 16.309 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.660 16.341 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.164 17.961 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.877 17.036 -3.611 1.00 0.00 H new ATOM 1235 N ILE A 80 2.518 14.670 -2.313 1.00 0.00 N ATOM 1236 CA ILE A 80 3.037 13.323 -2.532 1.00 0.00 C ATOM 1237 C ILE A 80 3.390 12.704 -1.187 1.00 0.00 C ATOM 1238 O ILE A 80 3.126 11.526 -0.983 1.00 0.00 O ATOM 1239 CB ILE A 80 4.231 13.342 -3.502 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.829 13.816 -4.918 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.901 11.961 -3.587 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.879 12.910 -5.705 1.00 0.00 C ATOM 0 H ILE A 80 3.168 15.414 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 80 2.273 12.705 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 80 4.944 14.060 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.365 14.798 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.739 13.945 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.741 12.006 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.260 11.669 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.177 11.227 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.676 13.355 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.339 11.931 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.944 12.798 -5.155 1.00 0.00 H new ATOM 1254 N LYS A 81 3.870 13.491 -0.217 1.00 0.00 N ATOM 1255 CA LYS A 81 4.189 12.958 1.107 1.00 0.00 C ATOM 1256 C LYS A 81 2.921 12.520 1.816 1.00 0.00 C ATOM 1257 O LYS A 81 2.891 11.483 2.462 1.00 0.00 O ATOM 1258 CB LYS A 81 4.909 14.043 1.908 1.00 0.00 C ATOM 1259 CG LYS A 81 5.514 13.516 3.224 1.00 0.00 C ATOM 1260 CD LYS A 81 4.598 13.748 4.431 1.00 0.00 C ATOM 1261 CE LYS A 81 4.514 15.241 4.760 1.00 0.00 C ATOM 1262 NZ LYS A 81 5.590 15.647 5.699 1.00 0.00 N ATOM 0 H LYS A 81 4.044 14.490 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 81 4.836 12.086 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.702 14.473 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.208 14.847 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.715 12.449 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.472 14.006 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.602 13.359 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.977 13.200 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.591 15.823 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.542 15.465 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.507 16.663 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.500 15.108 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.517 15.455 5.269 1.00 0.00 H new ATOM 1276 N ALA A 82 1.899 13.363 1.722 1.00 0.00 N ATOM 1277 CA ALA A 82 0.581 13.148 2.315 1.00 0.00 C ATOM 1278 C ALA A 82 -0.102 11.901 1.737 1.00 0.00 C ATOM 1279 O ALA A 82 -0.515 11.023 2.494 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.264 14.414 2.129 1.00 0.00 C ATOM 0 H ALA A 82 1.966 14.245 1.214 1.00 0.00 H new ATOM 0 HA ALA A 82 0.692 12.959 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.250 14.262 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.227 15.254 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.371 14.627 1.065 1.00 0.00 H new ATOM 1286 N ALA A 83 -0.152 11.789 0.405 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.672 10.599 -0.268 1.00 0.00 C ATOM 1288 C ALA A 83 0.117 9.336 0.098 1.00 0.00 C ATOM 1289 O ALA A 83 -0.452 8.284 0.389 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.693 10.848 -1.780 1.00 0.00 C ATOM 0 H ALA A 83 0.166 12.519 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.691 10.418 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.080 9.965 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.333 11.703 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.319 11.054 -2.129 1.00 0.00 H new ATOM 1296 N LEU A 84 1.439 9.470 0.164 1.00 0.00 N ATOM 1297 CA LEU A 84 2.326 8.360 0.501 1.00 0.00 C ATOM 1298 C LEU A 84 2.050 7.854 1.905 1.00 0.00 C ATOM 1299 O LEU A 84 1.841 6.664 2.109 1.00 0.00 O ATOM 1300 CB LEU A 84 3.793 8.792 0.345 1.00 0.00 C ATOM 1301 CG LEU A 84 4.837 7.677 0.331 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.185 7.136 1.719 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.388 6.544 -0.590 1.00 0.00 C ATOM 0 H LEU A 84 1.925 10.349 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 84 2.134 7.537 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.885 9.356 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.035 9.475 1.159 1.00 0.00 H new ATOM 0 HG LEU A 84 5.754 8.124 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.932 6.348 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.583 7.943 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.288 6.731 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.141 5.756 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.440 6.140 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.262 6.927 -1.603 1.00 0.00 H new ATOM 1315 N ALA A 85 2.015 8.769 2.864 1.00 0.00 N ATOM 1316 CA ALA A 85 1.805 8.452 4.273 1.00 0.00 C ATOM 1317 C ALA A 85 0.462 7.780 4.597 1.00 0.00 C ATOM 1318 O ALA A 85 0.360 7.136 5.640 1.00 0.00 O ATOM 1319 CB ALA A 85 2.000 9.725 5.102 1.00 0.00 C ATOM 0 H ALA A 85 2.133 9.766 2.684 1.00 0.00 H new ATOM 0 HA ALA A 85 2.548 7.699 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.845 9.499 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.012 10.103 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.282 10.480 4.783 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.541 7.888 3.717 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.812 7.151 3.876 1.00 0.00 C ATOM 1327 C GLN A 86 -1.852 5.827 3.103 1.00 0.00 C ATOM 1328 O GLN A 86 -2.421 4.843 3.573 1.00 0.00 O ATOM 1329 CB GLN A 86 -3.040 8.065 3.693 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.318 8.617 2.285 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.037 7.632 1.366 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.476 7.068 0.447 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.324 7.417 1.542 1.00 0.00 N ATOM 0 H GLN A 86 -0.502 8.477 2.885 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.865 6.826 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.921 7.511 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.931 8.912 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.919 9.522 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.373 8.905 1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.818 7.878 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.827 6.789 0.915 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.124 5.756 1.994 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.811 4.527 1.268 1.00 0.00 C ATOM 1344 C CYS A 87 0.154 3.615 2.046 1.00 0.00 C ATOM 1345 O CYS A 87 0.120 2.404 1.878 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.226 4.933 -0.088 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.522 3.641 -1.331 1.00 0.00 S ATOM 0 H CYS A 87 -0.719 6.584 1.558 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.720 3.940 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.675 5.870 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.845 5.110 0.011 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.018 4.012 -2.471 1.00 0.00 H new ATOM 1353 N GLN A 88 0.976 4.156 2.950 1.00 0.00 N ATOM 1354 CA GLN A 88 1.872 3.368 3.816 1.00 0.00 C ATOM 1355 C GLN A 88 1.155 2.611 4.953 1.00 0.00 C ATOM 1356 O GLN A 88 1.782 1.816 5.654 1.00 0.00 O ATOM 1357 CB GLN A 88 3.021 4.245 4.350 1.00 0.00 C ATOM 1358 CG GLN A 88 4.280 3.427 4.713 1.00 0.00 C ATOM 1359 CD GLN A 88 4.675 3.517 6.187 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.553 4.270 6.567 1.00 0.00 O ATOM 1361 NE2 GLN A 88 4.079 2.745 7.070 1.00 0.00 N ATOM 0 H GLN A 88 1.042 5.162 3.106 1.00 0.00 H new ATOM 0 HA GLN A 88 2.289 2.585 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.282 4.991 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.679 4.787 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.108 2.382 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.114 3.772 4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.341 2.107 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.355 2.785 8.051 1.00 0.00 H new