USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 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 21 GLN : amide:sc= 1.11 K(o=2.3,f=-6.2!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 9 TYR OH : rot 97:sc= 0.306 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 1.18 (180deg=1.01) USER MOD Single : A 19 TYR OH : rot 179:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= -0.0324! (180deg=-0.713) USER MOD Single : A 28 HIS : no HE2:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 33 CYS SG : rot 55:sc= 0.259 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.493 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= -0.579 K(o=-0.58,f=-4.7) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00209 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 1.11 (180deg=1.03) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0.911 (180deg=-0.228) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 2.43 (180deg=2.38) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 88:sc= 1.33 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.506 K(o=0.51,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.183 1.775 -1.462 1.00 0.00 N ATOM 21 CA ALA A 2 4.899 2.869 -2.107 1.00 0.00 C ATOM 22 C ALA A 2 4.035 3.565 -3.183 1.00 0.00 C ATOM 23 O ALA A 2 3.070 2.984 -3.688 1.00 0.00 O ATOM 24 CB ALA A 2 6.205 2.317 -2.684 1.00 0.00 C ATOM 0 HA ALA A 2 5.129 3.640 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.756 3.121 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.810 1.898 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.980 1.538 -3.412 1.00 0.00 H new ATOM 30 N LEU A 3 4.378 4.806 -3.543 1.00 0.00 N ATOM 31 CA LEU A 3 3.644 5.647 -4.480 1.00 0.00 C ATOM 32 C LEU A 3 4.286 5.604 -5.873 1.00 0.00 C ATOM 33 O LEU A 3 5.415 6.040 -6.046 1.00 0.00 O ATOM 34 CB LEU A 3 3.623 7.096 -3.943 1.00 0.00 C ATOM 35 CG LEU A 3 2.254 7.804 -3.864 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.198 7.330 -4.867 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.643 7.629 -2.473 1.00 0.00 C ATOM 0 H LEU A 3 5.209 5.266 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 3 2.624 5.274 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.058 7.091 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.278 7.698 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 3 2.491 8.841 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.278 7.895 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.563 7.488 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.000 6.269 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.678 8.134 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.506 6.568 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.309 8.061 -1.726 1.00 0.00 H new ATOM 49 N ALA A 4 3.551 5.116 -6.865 1.00 0.00 N ATOM 50 CA ALA A 4 3.950 5.113 -8.275 1.00 0.00 C ATOM 51 C ALA A 4 3.785 6.502 -8.919 1.00 0.00 C ATOM 52 O ALA A 4 2.652 6.980 -9.059 1.00 0.00 O ATOM 53 CB ALA A 4 3.136 4.039 -9.006 1.00 0.00 C ATOM 0 H ALA A 4 2.633 4.698 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 4 5.011 4.876 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.419 4.021 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.336 3.065 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.073 4.266 -8.920 1.00 0.00 H new ATOM 59 N VAL A 5 4.882 7.144 -9.345 1.00 0.00 N ATOM 60 CA VAL A 5 4.877 8.464 -9.998 1.00 0.00 C ATOM 61 C VAL A 5 5.497 8.358 -11.389 1.00 0.00 C ATOM 62 O VAL A 5 6.427 7.592 -11.634 1.00 0.00 O ATOM 63 CB VAL A 5 5.586 9.555 -9.170 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.275 10.976 -9.668 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.283 9.542 -7.668 1.00 0.00 C ATOM 0 H VAL A 5 5.819 6.753 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 5 3.835 8.774 -10.081 1.00 0.00 H new ATOM 0 HB VAL A 5 6.636 9.301 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.801 11.702 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.602 11.078 -10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.202 11.156 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.831 10.348 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.214 9.683 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.589 8.586 -7.243 1.00 0.00 H new ATOM 75 N ARG A 6 4.976 9.130 -12.333 1.00 0.00 N ATOM 76 CA ARG A 6 5.350 9.127 -13.750 1.00 0.00 C ATOM 77 C ARG A 6 5.359 10.533 -14.353 1.00 0.00 C ATOM 78 O ARG A 6 4.519 11.362 -13.996 1.00 0.00 O ATOM 79 CB ARG A 6 4.413 8.152 -14.503 1.00 0.00 C ATOM 80 CG ARG A 6 5.155 7.082 -15.317 1.00 0.00 C ATOM 81 CD ARG A 6 6.110 6.184 -14.509 1.00 0.00 C ATOM 82 NE ARG A 6 5.478 5.085 -13.735 1.00 0.00 N ATOM 83 CZ ARG A 6 6.023 4.450 -12.701 1.00 0.00 C ATOM 84 NH1 ARG A 6 7.029 4.924 -12.040 1.00 0.00 N ATOM 85 NH2 ARG A 6 5.575 3.308 -12.280 1.00 0.00 N ATOM 0 H ARG A 6 4.245 9.810 -12.126 1.00 0.00 H new ATOM 0 HA ARG A 6 6.377 8.777 -13.854 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.762 7.659 -13.781 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.771 8.724 -15.173 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.418 6.449 -15.811 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.726 7.578 -16.102 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.833 5.747 -15.197 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.669 6.814 -13.817 1.00 0.00 H new ATOM 0 HE ARG A 6 4.544 4.791 -14.022 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.437 5.820 -12.306 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.414 4.401 -11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.780 2.869 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.017 2.849 -11.484 1.00 0.00 H new ATOM 99 N VAL A 7 6.282 10.765 -15.288 1.00 0.00 N ATOM 100 CA VAL A 7 6.339 11.973 -16.119 1.00 0.00 C ATOM 101 C VAL A 7 6.517 11.554 -17.574 1.00 0.00 C ATOM 102 O VAL A 7 7.588 11.080 -17.972 1.00 0.00 O ATOM 103 CB VAL A 7 7.446 12.965 -15.711 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.221 14.316 -16.404 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.530 13.207 -14.204 1.00 0.00 C ATOM 0 H VAL A 7 7.030 10.103 -15.495 1.00 0.00 H new ATOM 0 HA VAL A 7 5.401 12.509 -15.974 1.00 0.00 H new ATOM 0 HB VAL A 7 8.385 12.507 -16.024 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.008 15.011 -16.110 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.243 14.179 -17.485 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.252 14.719 -16.109 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.331 13.915 -13.993 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.583 13.613 -13.847 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.735 12.265 -13.695 1.00 0.00 H new ATOM 115 N VAL A 8 5.457 11.724 -18.355 1.00 0.00 N ATOM 116 CA VAL A 8 5.537 11.742 -19.829 1.00 0.00 C ATOM 117 C VAL A 8 6.074 13.101 -20.298 1.00 0.00 C ATOM 118 O VAL A 8 5.683 14.123 -19.739 1.00 0.00 O ATOM 119 CB VAL A 8 4.167 11.419 -20.464 1.00 0.00 C ATOM 120 CG1 VAL A 8 4.110 11.681 -21.974 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.793 9.942 -20.269 1.00 0.00 C ATOM 0 H VAL A 8 4.512 11.854 -17.994 1.00 0.00 H new ATOM 0 HA VAL A 8 6.228 10.966 -20.158 1.00 0.00 H new ATOM 0 HB VAL A 8 3.472 12.085 -19.953 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.118 11.431 -22.349 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.318 12.733 -22.169 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.854 11.065 -22.479 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.823 9.749 -20.728 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.548 9.311 -20.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.742 9.717 -19.204 1.00 0.00 H new ATOM 131 N TYR A 9 6.980 13.121 -21.290 1.00 0.00 N ATOM 132 CA TYR A 9 7.470 14.329 -21.988 1.00 0.00 C ATOM 133 C TYR A 9 8.113 13.962 -23.342 1.00 0.00 C ATOM 134 O TYR A 9 8.219 12.792 -23.690 1.00 0.00 O ATOM 135 CB TYR A 9 8.469 15.092 -21.090 1.00 0.00 C ATOM 136 CG TYR A 9 9.016 16.421 -21.601 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.171 17.362 -22.224 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.375 16.740 -21.409 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.671 18.610 -22.640 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.876 17.999 -21.792 1.00 0.00 C ATOM 141 CZ TYR A 9 10.022 18.936 -22.413 1.00 0.00 C ATOM 142 OH TYR A 9 10.498 20.149 -22.798 1.00 0.00 O ATOM 0 H TYR A 9 7.409 12.266 -21.643 1.00 0.00 H new ATOM 0 HA TYR A 9 6.620 14.980 -22.192 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.984 15.276 -20.131 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.316 14.434 -20.897 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.130 17.123 -22.384 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.038 16.013 -20.964 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.020 19.317 -23.133 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.911 18.247 -21.611 1.00 0.00 H new ATOM 0 HH TYR A 9 10.486 20.763 -22.034 1.00 0.00 H new ATOM 152 N SER A 10 8.551 14.943 -24.132 1.00 0.00 N ATOM 153 CA SER A 10 9.438 14.777 -25.281 1.00 0.00 C ATOM 154 C SER A 10 10.900 14.635 -24.852 1.00 0.00 C ATOM 155 O SER A 10 11.366 15.311 -23.936 1.00 0.00 O ATOM 156 CB SER A 10 9.355 16.023 -26.173 1.00 0.00 C ATOM 157 OG SER A 10 9.549 17.204 -25.410 1.00 0.00 O ATOM 0 H SER A 10 8.285 15.916 -23.981 1.00 0.00 H new ATOM 0 HA SER A 10 9.120 13.876 -25.806 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.109 15.964 -26.958 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.383 16.059 -26.666 1.00 0.00 H new ATOM 0 HG SER A 10 9.493 17.986 -25.998 1.00 0.00 H new ATOM 163 N GLY A 11 11.676 13.904 -25.642 1.00 0.00 N ATOM 164 CA GLY A 11 13.148 13.886 -25.606 1.00 0.00 C ATOM 165 C GLY A 11 13.823 15.160 -26.149 1.00 0.00 C ATOM 166 O GLY A 11 14.859 15.064 -26.797 1.00 0.00 O ATOM 0 H GLY A 11 11.292 13.282 -26.354 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.470 13.732 -24.576 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.501 13.031 -26.182 1.00 0.00 H new ATOM 170 N ALA A 12 13.258 16.350 -25.911 1.00 0.00 N ATOM 171 CA ALA A 12 13.666 17.653 -26.469 1.00 0.00 C ATOM 172 C ALA A 12 14.967 18.232 -25.851 1.00 0.00 C ATOM 173 O ALA A 12 15.011 19.377 -25.395 1.00 0.00 O ATOM 174 CB ALA A 12 12.474 18.613 -26.344 1.00 0.00 C ATOM 0 H ALA A 12 12.456 16.438 -25.287 1.00 0.00 H new ATOM 0 HA ALA A 12 13.929 17.513 -27.518 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.747 19.587 -26.750 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.625 18.214 -26.899 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.202 18.721 -25.294 1.00 0.00 H new ATOM 180 N CYS A 13 16.027 17.419 -25.848 1.00 0.00 N ATOM 181 CA CYS A 13 17.370 17.631 -25.298 1.00 0.00 C ATOM 182 C CYS A 13 17.432 18.004 -23.800 1.00 0.00 C ATOM 183 O CYS A 13 16.552 18.640 -23.212 1.00 0.00 O ATOM 184 CB CYS A 13 18.150 18.604 -26.198 1.00 0.00 C ATOM 185 SG CYS A 13 18.555 17.752 -27.751 1.00 0.00 S ATOM 0 H CYS A 13 15.958 16.496 -26.277 1.00 0.00 H new ATOM 0 HA CYS A 13 17.861 16.658 -25.310 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.555 19.495 -26.399 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.061 18.935 -25.699 1.00 0.00 H new ATOM 0 HG CYS A 13 19.214 18.558 -28.529 1.00 0.00 H new ATOM 191 N GLY A 14 18.502 17.565 -23.128 1.00 0.00 N ATOM 192 CA GLY A 14 18.715 17.789 -21.690 1.00 0.00 C ATOM 193 C GLY A 14 17.617 17.250 -20.753 1.00 0.00 C ATOM 194 O GLY A 14 17.622 17.590 -19.573 1.00 0.00 O ATOM 0 H GLY A 14 19.255 17.038 -23.571 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.663 17.331 -21.408 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.816 18.861 -21.520 1.00 0.00 H new ATOM 198 N TYR A 15 16.668 16.440 -21.242 1.00 0.00 N ATOM 199 CA TYR A 15 15.514 15.975 -20.465 1.00 0.00 C ATOM 200 C TYR A 15 15.916 15.202 -19.198 1.00 0.00 C ATOM 201 O TYR A 15 15.340 15.434 -18.143 1.00 0.00 O ATOM 202 CB TYR A 15 14.549 15.185 -21.361 1.00 0.00 C ATOM 203 CG TYR A 15 14.982 13.769 -21.694 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.879 13.524 -22.753 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.482 12.694 -20.931 1.00 0.00 C ATOM 206 CE1 TYR A 15 16.288 12.206 -23.033 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.880 11.374 -21.219 1.00 0.00 C ATOM 208 CZ TYR A 15 15.785 11.128 -22.274 1.00 0.00 C ATOM 209 OH TYR A 15 16.184 9.862 -22.558 1.00 0.00 O ATOM 0 H TYR A 15 16.681 16.086 -22.199 1.00 0.00 H new ATOM 0 HA TYR A 15 14.986 16.856 -20.101 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.576 15.144 -20.871 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.413 15.734 -22.293 1.00 0.00 H new ATOM 0 HD1 TYR A 15 16.252 14.345 -23.348 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.791 12.883 -20.123 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.990 12.019 -23.832 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.494 10.552 -20.634 1.00 0.00 H new ATOM 0 HH TYR A 15 15.747 9.236 -21.944 1.00 0.00 H new ATOM 219 N LYS A 16 16.950 14.349 -19.265 1.00 0.00 N ATOM 220 CA LYS A 16 17.481 13.581 -18.121 1.00 0.00 C ATOM 221 C LYS A 16 17.771 14.433 -16.868 1.00 0.00 C ATOM 222 O LYS A 16 17.142 14.165 -15.848 1.00 0.00 O ATOM 223 CB LYS A 16 18.674 12.694 -18.546 1.00 0.00 C ATOM 224 CG LYS A 16 18.339 11.190 -18.563 1.00 0.00 C ATOM 225 CD LYS A 16 18.090 10.568 -17.174 1.00 0.00 C ATOM 226 CE LYS A 16 19.311 10.574 -16.236 1.00 0.00 C ATOM 227 NZ LYS A 16 20.398 9.669 -16.699 1.00 0.00 N ATOM 0 H LYS A 16 17.453 14.168 -20.134 1.00 0.00 H new ATOM 0 HA LYS A 16 16.679 12.914 -17.804 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.007 12.996 -19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.507 12.866 -17.864 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.453 11.036 -19.179 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.158 10.655 -19.044 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.275 11.107 -16.691 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.756 9.539 -17.307 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.699 11.590 -16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.997 10.275 -15.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.194 9.712 -16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.040 8.694 -16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.720 9.968 -17.642 1.00 0.00 H new ATOM 241 N PRO A 17 18.677 15.434 -16.878 1.00 0.00 N ATOM 242 CA PRO A 17 18.902 16.276 -15.699 1.00 0.00 C ATOM 243 C PRO A 17 17.676 17.123 -15.317 1.00 0.00 C ATOM 244 O PRO A 17 17.393 17.251 -14.132 1.00 0.00 O ATOM 245 CB PRO A 17 20.137 17.127 -16.014 1.00 0.00 C ATOM 246 CG PRO A 17 20.196 17.141 -17.540 1.00 0.00 C ATOM 247 CD PRO A 17 19.637 15.768 -17.920 1.00 0.00 C ATOM 0 HA PRO A 17 19.070 15.659 -14.816 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.042 18.134 -15.609 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.040 16.695 -15.583 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.598 17.950 -17.959 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.215 17.276 -17.903 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.159 15.797 -18.899 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.431 15.023 -17.975 1.00 0.00 H new ATOM 255 N LYS A 18 16.897 17.630 -16.290 1.00 0.00 N ATOM 256 CA LYS A 18 15.626 18.348 -16.040 1.00 0.00 C ATOM 257 C LYS A 18 14.647 17.497 -15.214 1.00 0.00 C ATOM 258 O LYS A 18 14.075 17.985 -14.244 1.00 0.00 O ATOM 259 CB LYS A 18 14.968 18.799 -17.356 1.00 0.00 C ATOM 260 CG LYS A 18 15.734 19.873 -18.155 1.00 0.00 C ATOM 261 CD LYS A 18 15.164 19.997 -19.584 1.00 0.00 C ATOM 262 CE LYS A 18 15.948 20.997 -20.449 1.00 0.00 C ATOM 263 NZ LYS A 18 15.548 20.936 -21.885 1.00 0.00 N ATOM 0 H LYS A 18 17.130 17.554 -17.280 1.00 0.00 H new ATOM 0 HA LYS A 18 15.872 19.237 -15.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.836 17.924 -17.993 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.973 19.182 -17.130 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.663 20.833 -17.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.792 19.614 -18.201 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.179 19.018 -20.063 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.121 20.309 -19.529 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.786 22.007 -20.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.015 20.792 -20.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.902 21.779 -22.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.951 20.083 -22.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.511 20.904 -21.955 1.00 0.00 H new ATOM 277 N TYR A 19 14.504 16.221 -15.580 1.00 0.00 N ATOM 278 CA TYR A 19 13.722 15.205 -14.877 1.00 0.00 C ATOM 279 C TYR A 19 14.247 14.993 -13.462 1.00 0.00 C ATOM 280 O TYR A 19 13.505 15.172 -12.500 1.00 0.00 O ATOM 281 CB TYR A 19 13.756 13.876 -15.653 1.00 0.00 C ATOM 282 CG TYR A 19 12.575 13.641 -16.567 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.163 14.626 -17.489 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.861 12.435 -16.461 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.016 14.412 -18.275 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.725 12.219 -17.257 1.00 0.00 C ATOM 287 CZ TYR A 19 10.298 13.204 -18.161 1.00 0.00 C ATOM 288 OH TYR A 19 9.178 12.990 -18.891 1.00 0.00 O ATOM 0 H TYR A 19 14.954 15.851 -16.417 1.00 0.00 H new ATOM 0 HA TYR A 19 12.692 15.556 -14.812 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.669 13.843 -16.248 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.812 13.056 -14.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.726 15.542 -17.591 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.186 11.674 -15.767 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.685 15.173 -18.966 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.178 11.292 -17.173 1.00 0.00 H new ATOM 0 HH TYR A 19 8.826 12.097 -18.695 1.00 0.00 H new ATOM 298 N LEU A 20 15.527 14.626 -13.331 1.00 0.00 N ATOM 299 CA LEU A 20 16.176 14.358 -12.046 1.00 0.00 C ATOM 300 C LEU A 20 16.049 15.522 -11.063 1.00 0.00 C ATOM 301 O LEU A 20 15.874 15.306 -9.877 1.00 0.00 O ATOM 302 CB LEU A 20 17.651 14.003 -12.279 1.00 0.00 C ATOM 303 CG LEU A 20 17.913 12.491 -12.379 1.00 0.00 C ATOM 304 CD1 LEU A 20 17.185 11.775 -13.519 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.413 12.252 -12.570 1.00 0.00 C ATOM 0 H LEU A 20 16.150 14.505 -14.130 1.00 0.00 H new ATOM 0 HA LEU A 20 15.661 13.513 -11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.991 14.483 -13.196 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.248 14.413 -11.464 1.00 0.00 H new ATOM 0 HG LEU A 20 17.527 12.075 -11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.437 10.715 -13.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.109 11.895 -13.395 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.491 12.205 -14.473 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.605 11.181 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.746 12.742 -13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.958 12.662 -11.720 1.00 0.00 H new ATOM 317 N GLN A 21 16.069 16.768 -11.514 1.00 0.00 N ATOM 318 CA GLN A 21 16.027 17.896 -10.586 1.00 0.00 C ATOM 319 C GLN A 21 14.691 17.957 -9.810 1.00 0.00 C ATOM 320 O GLN A 21 14.664 18.436 -8.676 1.00 0.00 O ATOM 321 CB GLN A 21 16.290 19.181 -11.405 1.00 0.00 C ATOM 322 CG GLN A 21 17.101 20.270 -10.699 1.00 0.00 C ATOM 323 CD GLN A 21 16.380 20.923 -9.532 1.00 0.00 C ATOM 324 OE1 GLN A 21 16.787 20.787 -8.390 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.313 21.658 -9.756 1.00 0.00 N ATOM 0 H GLN A 21 16.113 17.025 -12.500 1.00 0.00 H new ATOM 0 HA GLN A 21 16.795 17.782 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.811 18.904 -12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.329 19.604 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.034 19.837 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.365 21.039 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.966 21.777 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.832 22.109 -8.978 1.00 0.00 H new ATOM 334 N LEU A 22 13.611 17.405 -10.386 1.00 0.00 N ATOM 335 CA LEU A 22 12.405 16.973 -9.673 1.00 0.00 C ATOM 336 C LEU A 22 12.602 15.587 -9.030 1.00 0.00 C ATOM 337 O LEU A 22 12.437 15.456 -7.819 1.00 0.00 O ATOM 338 CB LEU A 22 11.211 17.018 -10.653 1.00 0.00 C ATOM 339 CG LEU A 22 9.832 16.694 -10.035 1.00 0.00 C ATOM 340 CD1 LEU A 22 8.733 17.332 -10.891 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.525 15.193 -9.949 1.00 0.00 C ATOM 0 H LEU A 22 13.554 17.243 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 22 12.196 17.651 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.166 18.012 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.401 16.314 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 22 9.860 17.090 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.758 17.106 -10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.876 18.412 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.782 16.932 -11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.540 15.048 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.539 14.761 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.278 14.702 -9.332 1.00 0.00 H new ATOM 353 N LYS A 23 12.927 14.554 -9.821 1.00 0.00 N ATOM 354 CA LYS A 23 12.901 13.124 -9.429 1.00 0.00 C ATOM 355 C LYS A 23 13.763 12.840 -8.198 1.00 0.00 C ATOM 356 O LYS A 23 13.273 12.314 -7.204 1.00 0.00 O ATOM 357 CB LYS A 23 13.374 12.254 -10.619 1.00 0.00 C ATOM 358 CG LYS A 23 12.736 10.876 -10.691 1.00 0.00 C ATOM 359 CD LYS A 23 13.478 9.830 -9.868 1.00 0.00 C ATOM 360 CE LYS A 23 14.836 9.473 -10.436 1.00 0.00 C ATOM 361 NZ LYS A 23 15.506 8.543 -9.502 1.00 0.00 N ATOM 0 H LYS A 23 13.227 14.689 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 23 11.874 12.873 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.163 12.786 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.456 12.136 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.706 10.941 -10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.700 10.553 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.603 10.200 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.869 8.928 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.727 9.011 -11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.438 10.372 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.112 7.890 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.088 9.084 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.790 8.000 -8.979 1.00 0.00 H new ATOM 375 N GLU A 24 15.029 13.231 -8.286 1.00 0.00 N ATOM 376 CA GLU A 24 16.065 13.087 -7.262 1.00 0.00 C ATOM 377 C GLU A 24 15.764 13.868 -5.974 1.00 0.00 C ATOM 378 O GLU A 24 16.290 13.520 -4.920 1.00 0.00 O ATOM 379 CB GLU A 24 17.438 13.487 -7.865 1.00 0.00 C ATOM 380 CG GLU A 24 18.445 12.322 -7.847 1.00 0.00 C ATOM 381 CD GLU A 24 18.086 11.224 -8.872 1.00 0.00 C ATOM 382 OE1 GLU A 24 16.915 10.778 -8.894 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.953 10.860 -9.696 1.00 0.00 O ATOM 0 H GLU A 24 15.385 13.686 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 24 16.088 12.040 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.297 13.827 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.848 14.327 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.443 12.704 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.477 11.887 -6.848 1.00 0.00 H new ATOM 390 N LYS A 25 14.896 14.891 -6.022 1.00 0.00 N ATOM 391 CA LYS A 25 14.304 15.521 -4.828 1.00 0.00 C ATOM 392 C LYS A 25 13.253 14.635 -4.170 1.00 0.00 C ATOM 393 O LYS A 25 13.358 14.326 -2.995 1.00 0.00 O ATOM 394 CB LYS A 25 13.667 16.872 -5.191 1.00 0.00 C ATOM 395 CG LYS A 25 14.117 17.988 -4.239 1.00 0.00 C ATOM 396 CD LYS A 25 15.588 18.385 -4.396 1.00 0.00 C ATOM 397 CE LYS A 25 15.854 18.729 -5.863 1.00 0.00 C ATOM 398 NZ LYS A 25 17.090 19.511 -6.035 1.00 0.00 N ATOM 0 H LYS A 25 14.582 15.309 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 25 15.117 15.671 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.935 17.137 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.581 16.782 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.494 18.867 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.946 17.666 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.818 19.240 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.235 17.568 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.924 17.809 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.011 19.293 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.989 20.145 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.266 20.075 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.890 18.866 -6.195 1.00 0.00 H new ATOM 412 N LEU A 26 12.271 14.205 -4.952 1.00 0.00 N ATOM 413 CA LEU A 26 11.111 13.432 -4.536 1.00 0.00 C ATOM 414 C LEU A 26 11.486 12.078 -3.916 1.00 0.00 C ATOM 415 O LEU A 26 10.954 11.660 -2.892 1.00 0.00 O ATOM 416 CB LEU A 26 10.268 13.279 -5.804 1.00 0.00 C ATOM 417 CG LEU A 26 9.112 14.253 -5.993 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.015 14.040 -4.959 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.462 15.739 -6.016 1.00 0.00 C ATOM 0 H LEU A 26 12.264 14.399 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 26 10.562 13.936 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.931 13.371 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.863 12.267 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 26 8.771 14.006 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.210 14.755 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.624 13.026 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.424 14.186 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.553 16.325 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.931 16.017 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.152 15.938 -6.836 1.00 0.00 H new ATOM 431 N GLU A 27 12.426 11.387 -4.544 1.00 0.00 N ATOM 432 CA GLU A 27 13.088 10.201 -4.004 1.00 0.00 C ATOM 433 C GLU A 27 13.968 10.459 -2.764 1.00 0.00 C ATOM 434 O GLU A 27 13.986 9.621 -1.867 1.00 0.00 O ATOM 435 CB GLU A 27 13.912 9.558 -5.128 1.00 0.00 C ATOM 436 CG GLU A 27 13.159 8.379 -5.761 1.00 0.00 C ATOM 437 CD GLU A 27 13.905 7.789 -6.964 1.00 0.00 C ATOM 438 OE1 GLU A 27 15.148 7.689 -6.931 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.284 7.490 -8.003 1.00 0.00 O ATOM 0 H GLU A 27 12.762 11.642 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 27 12.305 9.531 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.135 10.303 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.867 9.213 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.011 7.601 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.170 8.710 -6.077 1.00 0.00 H new ATOM 446 N HIS A 28 14.673 11.593 -2.662 1.00 0.00 N ATOM 447 CA HIS A 28 15.366 12.006 -1.428 1.00 0.00 C ATOM 448 C HIS A 28 14.391 12.270 -0.271 1.00 0.00 C ATOM 449 O HIS A 28 14.677 11.935 0.882 1.00 0.00 O ATOM 450 CB HIS A 28 16.208 13.259 -1.718 1.00 0.00 C ATOM 451 CG HIS A 28 16.854 13.945 -0.535 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.096 13.421 0.715 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.224 15.261 -0.499 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.627 14.393 1.475 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.741 15.530 0.771 1.00 0.00 N ATOM 0 H HIS A 28 14.781 12.253 -3.432 1.00 0.00 H new ATOM 0 HA HIS A 28 16.012 11.187 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.995 12.983 -2.420 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.571 13.985 -2.223 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.906 12.464 1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.133 15.968 -1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.921 14.276 2.508 1.00 0.00 H new ATOM 463 N GLU A 29 13.249 12.871 -0.589 1.00 0.00 N ATOM 464 CA GLU A 29 12.168 13.247 0.312 1.00 0.00 C ATOM 465 C GLU A 29 11.395 12.028 0.836 1.00 0.00 C ATOM 466 O GLU A 29 11.057 11.954 2.019 1.00 0.00 O ATOM 467 CB GLU A 29 11.235 14.167 -0.481 1.00 0.00 C ATOM 468 CG GLU A 29 11.749 15.621 -0.517 1.00 0.00 C ATOM 469 CD GLU A 29 11.228 16.463 -1.698 1.00 0.00 C ATOM 470 OE1 GLU A 29 10.394 15.963 -2.493 1.00 0.00 O ATOM 471 OE2 GLU A 29 11.651 17.640 -1.797 1.00 0.00 O ATOM 0 H GLU A 29 13.041 13.126 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 29 12.577 13.746 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.137 13.792 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.240 14.145 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.468 16.114 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.838 15.605 -0.553 1.00 0.00 H new ATOM 478 N PHE A 30 11.126 11.060 -0.046 1.00 0.00 N ATOM 479 CA PHE A 30 10.305 9.871 0.214 1.00 0.00 C ATOM 480 C PHE A 30 10.988 8.545 -0.214 1.00 0.00 C ATOM 481 O PHE A 30 10.407 7.759 -0.974 1.00 0.00 O ATOM 482 CB PHE A 30 8.947 10.092 -0.476 1.00 0.00 C ATOM 483 CG PHE A 30 8.314 11.450 -0.213 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.955 11.817 1.097 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.201 12.393 -1.253 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.519 13.124 1.368 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.745 13.696 -0.985 1.00 0.00 C ATOM 488 CZ PHE A 30 7.411 14.064 0.327 1.00 0.00 C ATOM 0 H PHE A 30 11.488 11.084 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 30 10.165 9.753 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.077 9.969 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.257 9.315 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.015 11.092 1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.466 12.114 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.266 13.408 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.652 14.412 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.071 15.067 0.537 1.00 0.00 H new ATOM 498 N PRO A 31 12.214 8.243 0.263 1.00 0.00 N ATOM 499 CA PRO A 31 13.041 7.166 -0.285 1.00 0.00 C ATOM 500 C PRO A 31 12.413 5.790 -0.102 1.00 0.00 C ATOM 501 O PRO A 31 11.999 5.420 0.997 1.00 0.00 O ATOM 502 CB PRO A 31 14.400 7.270 0.402 1.00 0.00 C ATOM 503 CG PRO A 31 14.094 8.022 1.698 1.00 0.00 C ATOM 504 CD PRO A 31 12.949 8.950 1.298 1.00 0.00 C ATOM 0 HA PRO A 31 13.140 7.280 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.825 6.286 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.120 7.809 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.801 7.343 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.960 8.580 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.308 9.172 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.328 9.903 0.928 1.00 0.00 H new ATOM 512 N GLY A 32 12.316 5.051 -1.208 1.00 0.00 N ATOM 513 CA GLY A 32 11.625 3.759 -1.360 1.00 0.00 C ATOM 514 C GLY A 32 10.148 3.708 -0.955 1.00 0.00 C ATOM 515 O GLY A 32 9.458 2.735 -1.247 1.00 0.00 O ATOM 0 H GLY A 32 12.745 5.355 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.701 3.455 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.163 3.016 -0.772 1.00 0.00 H new ATOM 519 N CYS A 33 9.631 4.755 -0.313 1.00 0.00 N ATOM 520 CA CYS A 33 8.213 5.008 -0.139 1.00 0.00 C ATOM 521 C CYS A 33 7.580 5.524 -1.442 1.00 0.00 C ATOM 522 O CYS A 33 6.359 5.577 -1.558 1.00 0.00 O ATOM 523 CB CYS A 33 7.991 5.978 1.024 1.00 0.00 C ATOM 524 SG CYS A 33 8.973 5.534 2.495 1.00 0.00 S ATOM 0 H CYS A 33 10.216 5.474 0.114 1.00 0.00 H new ATOM 0 HA CYS A 33 7.716 4.069 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.253 6.987 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.933 5.990 1.287 1.00 0.00 H new ATOM 0 HG CYS A 33 10.228 5.445 2.168 1.00 0.00 H new ATOM 530 N LEU A 34 8.405 5.865 -2.432 1.00 0.00 N ATOM 531 CA LEU A 34 8.046 6.241 -3.781 1.00 0.00 C ATOM 532 C LEU A 34 8.786 5.393 -4.813 1.00 0.00 C ATOM 533 O LEU A 34 9.934 4.990 -4.641 1.00 0.00 O ATOM 534 CB LEU A 34 8.396 7.721 -4.024 1.00 0.00 C ATOM 535 CG LEU A 34 7.161 8.601 -4.169 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.399 8.862 -2.874 1.00 0.00 C ATOM 537 CD2 LEU A 34 7.533 9.961 -4.749 1.00 0.00 C ATOM 0 H LEU A 34 9.415 5.884 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 34 6.974 6.078 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.003 8.087 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.004 7.803 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 34 6.509 8.031 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.538 9.497 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.059 7.915 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.055 9.361 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.636 10.574 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.243 10.457 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.986 9.826 -5.731 1.00 0.00 H new ATOM 549 N ASP A 35 8.117 5.292 -5.945 1.00 0.00 N ATOM 550 CA ASP A 35 8.625 5.001 -7.272 1.00 0.00 C ATOM 551 C ASP A 35 8.397 6.254 -8.113 1.00 0.00 C ATOM 552 O ASP A 35 7.332 6.868 -8.067 1.00 0.00 O ATOM 553 CB ASP A 35 7.770 3.866 -7.813 1.00 0.00 C ATOM 554 CG ASP A 35 7.826 3.591 -9.315 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.787 3.976 -10.013 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.803 3.103 -9.849 1.00 0.00 O ATOM 0 H ASP A 35 7.106 5.425 -5.960 1.00 0.00 H new ATOM 0 HA ASP A 35 9.680 4.728 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.057 2.952 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.733 4.071 -7.548 1.00 0.00 H new ATOM 561 N ILE A 36 9.358 6.602 -8.946 1.00 0.00 N ATOM 562 CA ILE A 36 9.205 7.612 -9.973 1.00 0.00 C ATOM 563 C ILE A 36 9.946 7.145 -11.227 1.00 0.00 C ATOM 564 O ILE A 36 11.146 6.878 -11.225 1.00 0.00 O ATOM 565 CB ILE A 36 9.761 8.970 -9.552 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.539 9.410 -8.094 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.264 10.036 -10.560 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.552 10.486 -7.692 1.00 0.00 C ATOM 0 H ILE A 36 10.287 6.181 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 36 8.138 7.738 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 36 10.845 8.860 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.526 9.795 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.633 8.550 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.651 11.014 -10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.616 9.783 -11.560 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.174 10.062 -10.555 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.377 10.782 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.562 10.089 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.439 11.353 -8.342 1.00 0.00 H new ATOM 580 N CYS A 37 9.224 7.142 -12.332 1.00 0.00 N ATOM 581 CA CYS A 37 9.789 6.875 -13.662 1.00 0.00 C ATOM 582 C CYS A 37 9.284 7.866 -14.721 1.00 0.00 C ATOM 583 O CYS A 37 8.585 8.832 -14.416 1.00 0.00 O ATOM 584 CB CYS A 37 9.628 5.377 -13.992 1.00 0.00 C ATOM 585 SG CYS A 37 10.845 4.866 -15.242 1.00 0.00 S ATOM 0 H CYS A 37 8.221 7.325 -12.343 1.00 0.00 H new ATOM 0 HA CYS A 37 10.862 7.064 -13.664 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.756 4.783 -13.087 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.619 5.186 -14.358 1.00 0.00 H new ATOM 0 HG CYS A 37 10.694 3.602 -15.504 1.00 0.00 H new ATOM 591 N GLY A 38 9.685 7.673 -15.972 1.00 0.00 N ATOM 592 CA GLY A 38 9.348 8.547 -17.093 1.00 0.00 C ATOM 593 C GLY A 38 9.248 7.816 -18.424 1.00 0.00 C ATOM 594 O GLY A 38 9.883 6.784 -18.622 1.00 0.00 O ATOM 0 H GLY A 38 10.270 6.883 -16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.398 9.040 -16.886 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.103 9.329 -17.173 1.00 0.00 H new ATOM 598 N GLU A 39 8.440 8.367 -19.327 1.00 0.00 N ATOM 599 CA GLU A 39 7.895 7.636 -20.473 1.00 0.00 C ATOM 600 C GLU A 39 7.717 8.573 -21.665 1.00 0.00 C ATOM 601 O GLU A 39 6.751 9.317 -21.789 1.00 0.00 O ATOM 602 CB GLU A 39 6.601 6.952 -20.033 1.00 0.00 C ATOM 603 CG GLU A 39 6.122 5.893 -21.031 1.00 0.00 C ATOM 604 CD GLU A 39 4.964 5.045 -20.481 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.019 4.675 -19.282 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.042 4.761 -21.277 1.00 0.00 O ATOM 0 H GLU A 39 8.141 9.341 -19.285 1.00 0.00 H new ATOM 0 HA GLU A 39 8.583 6.861 -20.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.755 6.485 -19.060 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.822 7.704 -19.906 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.804 6.383 -21.951 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.955 5.240 -21.290 1.00 0.00 H new ATOM 702 N PHE A 47 4.208 17.044 -24.583 1.00 0.00 N ATOM 703 CA PHE A 47 3.488 17.326 -23.333 1.00 0.00 C ATOM 704 C PHE A 47 4.197 16.756 -22.085 1.00 0.00 C ATOM 705 O PHE A 47 4.239 15.546 -21.898 1.00 0.00 O ATOM 706 CB PHE A 47 2.056 16.790 -23.461 1.00 0.00 C ATOM 707 CG PHE A 47 1.318 17.206 -24.725 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.289 18.555 -25.134 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.675 16.229 -25.509 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.624 18.921 -26.317 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.013 16.595 -26.694 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.014 17.941 -27.098 1.00 0.00 C ATOM 0 HA PHE A 47 3.469 18.406 -23.184 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.088 15.701 -23.420 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.481 17.125 -22.597 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.779 19.309 -24.537 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.690 15.195 -25.199 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.603 19.956 -26.626 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.475 15.841 -27.294 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.524 18.222 -28.007 1.00 0.00 H new ATOM 722 N PHE A 48 4.771 17.638 -21.257 1.00 0.00 N ATOM 723 CA PHE A 48 5.282 17.359 -19.905 1.00 0.00 C ATOM 724 C PHE A 48 4.105 17.187 -18.930 1.00 0.00 C ATOM 725 O PHE A 48 3.488 18.179 -18.510 1.00 0.00 O ATOM 726 CB PHE A 48 6.220 18.490 -19.446 1.00 0.00 C ATOM 727 CG PHE A 48 7.076 18.206 -18.221 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.561 18.396 -16.923 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.422 17.826 -18.375 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.382 18.196 -15.795 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.243 17.625 -17.252 1.00 0.00 C ATOM 732 CZ PHE A 48 8.722 17.810 -15.961 1.00 0.00 C ATOM 0 H PHE A 48 4.899 18.614 -21.523 1.00 0.00 H new ATOM 0 HA PHE A 48 5.856 16.432 -19.921 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.882 18.741 -20.274 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.615 19.374 -19.242 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.532 18.696 -16.792 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.828 17.687 -19.366 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.980 18.340 -14.803 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.273 17.329 -17.382 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.351 17.656 -15.097 1.00 0.00 H new ATOM 742 N GLU A 49 3.746 15.947 -18.618 1.00 0.00 N ATOM 743 CA GLU A 49 2.545 15.586 -17.881 1.00 0.00 C ATOM 744 C GLU A 49 2.900 14.770 -16.633 1.00 0.00 C ATOM 745 O GLU A 49 3.422 13.659 -16.768 1.00 0.00 O ATOM 746 CB GLU A 49 1.673 14.752 -18.822 1.00 0.00 C ATOM 747 CG GLU A 49 1.088 15.616 -19.937 1.00 0.00 C ATOM 748 CD GLU A 49 -0.028 14.915 -20.712 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.154 14.785 -20.179 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.121 14.725 -21.941 1.00 0.00 O ATOM 0 H GLU A 49 4.306 15.136 -18.882 1.00 0.00 H new ATOM 0 HA GLU A 49 2.019 16.481 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.266 13.947 -19.255 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.866 14.285 -18.257 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.700 16.540 -19.508 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.883 15.895 -20.628 1.00 0.00 H new ATOM 757 N VAL A 50 2.640 15.285 -15.421 1.00 0.00 N ATOM 758 CA VAL A 50 3.066 14.598 -14.177 1.00 0.00 C ATOM 759 C VAL A 50 1.869 13.926 -13.514 1.00 0.00 C ATOM 760 O VAL A 50 0.911 14.602 -13.136 1.00 0.00 O ATOM 761 CB VAL A 50 3.738 15.542 -13.161 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.250 14.798 -11.918 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.923 16.314 -13.759 1.00 0.00 C ATOM 0 H VAL A 50 2.144 16.163 -15.269 1.00 0.00 H new ATOM 0 HA VAL A 50 3.808 13.858 -14.475 1.00 0.00 H new ATOM 0 HB VAL A 50 2.951 16.241 -12.879 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.715 15.509 -11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.415 14.307 -11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.984 14.050 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.356 16.962 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.678 15.609 -14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.577 16.919 -14.597 1.00 0.00 H new ATOM 773 N THR A 51 1.939 12.607 -13.329 1.00 0.00 N ATOM 774 CA THR A 51 0.882 11.778 -12.727 1.00 0.00 C ATOM 775 C THR A 51 1.424 11.008 -11.527 1.00 0.00 C ATOM 776 O THR A 51 2.562 10.537 -11.553 1.00 0.00 O ATOM 777 CB THR A 51 0.346 10.751 -13.739 1.00 0.00 C ATOM 778 OG1 THR A 51 0.193 11.320 -15.016 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.997 10.131 -13.418 1.00 0.00 C ATOM 0 H THR A 51 2.758 12.064 -13.602 1.00 0.00 H new ATOM 0 HA THR A 51 0.082 12.451 -12.418 1.00 0.00 H new ATOM 0 HB THR A 51 1.107 9.972 -13.694 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.147 10.643 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.269 9.425 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.937 9.608 -12.464 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.753 10.913 -13.356 1.00 0.00 H new ATOM 787 N VAL A 52 0.585 10.789 -10.513 1.00 0.00 N ATOM 788 CA VAL A 52 0.853 9.936 -9.342 1.00 0.00 C ATOM 789 C VAL A 52 -0.353 9.044 -9.048 1.00 0.00 C ATOM 790 O VAL A 52 -1.484 9.519 -9.050 1.00 0.00 O ATOM 791 CB VAL A 52 1.268 10.788 -8.129 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.245 11.852 -7.713 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.535 9.905 -6.909 1.00 0.00 C ATOM 0 H VAL A 52 -0.340 11.217 -10.479 1.00 0.00 H new ATOM 0 HA VAL A 52 1.693 9.278 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 52 2.169 11.304 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.623 12.402 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.081 12.542 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.696 11.369 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.827 10.530 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.631 9.351 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.338 9.204 -7.136 1.00 0.00 H new ATOM 803 N ALA A 53 -0.129 7.741 -8.855 1.00 0.00 N ATOM 804 CA ALA A 53 -1.170 6.712 -8.701 1.00 0.00 C ATOM 805 C ALA A 53 -2.313 6.777 -9.754 1.00 0.00 C ATOM 806 O ALA A 53 -3.463 6.460 -9.450 1.00 0.00 O ATOM 807 CB ALA A 53 -1.690 6.759 -7.256 1.00 0.00 C ATOM 0 H ALA A 53 0.814 7.357 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.711 5.744 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.463 6.002 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.868 6.563 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.108 7.745 -7.052 1.00 0.00 H new ATOM 813 N GLY A 54 -2.023 7.230 -10.984 1.00 0.00 N ATOM 814 CA GLY A 54 -3.023 7.413 -12.050 1.00 0.00 C ATOM 815 C GLY A 54 -3.782 8.749 -12.006 1.00 0.00 C ATOM 816 O GLY A 54 -4.868 8.858 -12.567 1.00 0.00 O ATOM 0 H GLY A 54 -1.077 7.483 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.523 7.328 -13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.746 6.599 -11.993 1.00 0.00 H new ATOM 820 N LYS A 55 -3.228 9.772 -11.339 1.00 0.00 N ATOM 821 CA LYS A 55 -3.850 11.080 -11.085 1.00 0.00 C ATOM 822 C LYS A 55 -2.903 12.211 -11.470 1.00 0.00 C ATOM 823 O LYS A 55 -1.859 12.374 -10.835 1.00 0.00 O ATOM 824 CB LYS A 55 -4.272 11.182 -9.622 1.00 0.00 C ATOM 825 CG LYS A 55 -5.073 9.955 -9.162 1.00 0.00 C ATOM 826 CD LYS A 55 -5.928 10.202 -7.916 1.00 0.00 C ATOM 827 CE LYS A 55 -5.052 10.577 -6.717 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.850 10.658 -5.467 1.00 0.00 N ATOM 0 H LYS A 55 -2.290 9.707 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.742 11.174 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.386 11.290 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.873 12.080 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.721 9.630 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.381 9.137 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.643 11.001 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.506 9.308 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.260 9.838 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.568 11.535 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.228 10.914 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.590 11.381 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.292 9.736 -5.277 1.00 0.00 H new ATOM 842 N LEU A 56 -3.216 12.925 -12.549 1.00 0.00 N ATOM 843 CA LEU A 56 -2.411 14.043 -13.042 1.00 0.00 C ATOM 844 C LEU A 56 -2.464 15.233 -12.080 1.00 0.00 C ATOM 845 O LEU A 56 -3.518 15.613 -11.578 1.00 0.00 O ATOM 846 CB LEU A 56 -2.829 14.365 -14.483 1.00 0.00 C ATOM 847 CG LEU A 56 -2.001 15.482 -15.147 1.00 0.00 C ATOM 848 CD1 LEU A 56 -1.746 15.156 -16.621 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.719 16.832 -15.052 1.00 0.00 C ATOM 0 H LEU A 56 -4.046 12.742 -13.113 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.357 13.769 -13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.745 13.460 -15.084 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.880 14.655 -14.488 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.051 15.546 -14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.160 15.955 -17.074 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.198 14.217 -16.696 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.698 15.063 -17.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.112 17.601 -15.529 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.684 16.767 -15.556 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.873 17.089 -14.004 1.00 0.00 H new ATOM 861 N VAL A 57 -1.290 15.810 -11.851 1.00 0.00 N ATOM 862 CA VAL A 57 -1.068 16.978 -10.980 1.00 0.00 C ATOM 863 C VAL A 57 -0.576 18.173 -11.797 1.00 0.00 C ATOM 864 O VAL A 57 -0.836 19.322 -11.437 1.00 0.00 O ATOM 865 CB VAL A 57 -0.073 16.632 -9.847 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.078 17.777 -8.836 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.524 15.386 -9.067 1.00 0.00 C ATOM 0 H VAL A 57 -0.429 15.471 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.018 17.252 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 57 0.882 16.451 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.786 17.486 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.444 18.667 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.889 17.991 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.197 15.170 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.503 15.569 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.586 14.535 -9.745 1.00 0.00 H new ATOM 877 N HIS A 58 0.093 17.900 -12.921 1.00 0.00 N ATOM 878 CA HIS A 58 0.827 18.903 -13.687 1.00 0.00 C ATOM 879 C HIS A 58 0.737 18.632 -15.189 1.00 0.00 C ATOM 880 O HIS A 58 0.650 17.483 -15.628 1.00 0.00 O ATOM 881 CB HIS A 58 2.285 18.825 -13.240 1.00 0.00 C ATOM 882 CG HIS A 58 3.117 20.063 -13.371 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.857 21.301 -12.836 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.378 20.086 -13.891 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.952 22.057 -13.026 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.904 21.356 -13.666 1.00 0.00 N ATOM 0 H HIS A 58 0.139 16.965 -13.326 1.00 0.00 H new ATOM 0 HA HIS A 58 0.403 19.891 -13.509 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.300 18.519 -12.194 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.769 18.033 -13.811 1.00 0.00 H new ATOM 0 HD1 HIS A 58 1.993 21.593 -12.379 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.878 19.267 -14.387 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.053 23.084 -12.709 1.00 0.00 H new ATOM 894 N SER A 59 0.790 19.686 -15.992 1.00 0.00 N ATOM 895 CA SER A 59 0.489 19.638 -17.416 1.00 0.00 C ATOM 896 C SER A 59 0.997 20.881 -18.158 1.00 0.00 C ATOM 897 O SER A 59 0.299 21.898 -18.265 1.00 0.00 O ATOM 898 CB SER A 59 -1.036 19.518 -17.602 1.00 0.00 C ATOM 899 OG SER A 59 -1.349 18.262 -18.159 1.00 0.00 O ATOM 0 H SER A 59 1.049 20.617 -15.665 1.00 0.00 H new ATOM 0 HA SER A 59 1.000 18.773 -17.838 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.540 19.637 -16.643 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.397 20.315 -18.252 1.00 0.00 H new ATOM 0 HG SER A 59 -2.319 18.188 -18.274 1.00 0.00 H new ATOM 905 N LYS A 60 2.165 20.799 -18.807 1.00 0.00 N ATOM 906 CA LYS A 60 2.572 21.841 -19.768 1.00 0.00 C ATOM 907 C LYS A 60 1.589 22.045 -20.928 1.00 0.00 C ATOM 908 O LYS A 60 1.579 23.124 -21.504 1.00 0.00 O ATOM 909 CB LYS A 60 3.960 21.516 -20.317 1.00 0.00 C ATOM 910 CG LYS A 60 5.083 22.033 -19.413 1.00 0.00 C ATOM 911 CD LYS A 60 5.406 23.520 -19.610 1.00 0.00 C ATOM 912 CE LYS A 60 6.719 23.731 -18.858 1.00 0.00 C ATOM 913 NZ LYS A 60 7.234 25.122 -18.903 1.00 0.00 N ATOM 0 H LYS A 60 2.836 20.039 -18.691 1.00 0.00 H new ATOM 0 HA LYS A 60 2.582 22.780 -19.214 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.058 20.437 -20.432 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.066 21.953 -21.310 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.804 21.867 -18.373 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.984 21.448 -19.599 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.510 23.767 -20.667 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.614 24.154 -19.211 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.578 23.442 -17.816 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.473 23.063 -19.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.201 25.147 -18.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.243 25.457 -19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.620 25.738 -18.333 1.00 0.00 H new ATOM 927 N LYS A 61 0.751 21.052 -21.254 1.00 0.00 N ATOM 928 CA LYS A 61 -0.344 21.167 -22.243 1.00 0.00 C ATOM 929 C LYS A 61 -1.479 22.113 -21.818 1.00 0.00 C ATOM 930 O LYS A 61 -2.166 22.633 -22.691 1.00 0.00 O ATOM 931 CB LYS A 61 -0.886 19.769 -22.594 1.00 0.00 C ATOM 932 CG LYS A 61 -1.749 19.163 -21.474 1.00 0.00 C ATOM 933 CD LYS A 61 -1.726 17.635 -21.466 1.00 0.00 C ATOM 934 CE LYS A 61 -2.479 16.966 -22.620 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.360 15.493 -22.504 1.00 0.00 N ATOM 0 H LYS A 61 0.811 20.125 -20.833 1.00 0.00 H new ATOM 0 HA LYS A 61 0.090 21.626 -23.131 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.478 19.833 -23.507 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.049 19.102 -22.802 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.396 19.532 -20.511 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.777 19.505 -21.589 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.688 17.303 -21.490 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.151 17.286 -20.525 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.529 17.259 -22.601 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.073 17.300 -23.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.053 15.038 -23.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.400 15.200 -22.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.543 15.206 -21.521 1.00 0.00 H new ATOM 949 N ARG A 62 -1.668 22.331 -20.504 1.00 0.00 N ATOM 950 CA ARG A 62 -2.626 23.285 -19.935 1.00 0.00 C ATOM 951 C ARG A 62 -2.008 24.627 -19.560 1.00 0.00 C ATOM 952 O ARG A 62 -2.721 25.621 -19.512 1.00 0.00 O ATOM 953 CB ARG A 62 -3.354 22.635 -18.744 1.00 0.00 C ATOM 954 CG ARG A 62 -2.899 23.100 -17.353 1.00 0.00 C ATOM 955 CD ARG A 62 -3.671 22.415 -16.228 1.00 0.00 C ATOM 956 NE ARG A 62 -2.949 22.635 -14.972 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.275 22.252 -13.752 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.504 21.947 -13.432 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.379 22.152 -12.814 1.00 0.00 N ATOM 0 H ARG A 62 -1.139 21.830 -19.790 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.349 23.522 -20.715 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.421 22.833 -18.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.223 21.555 -18.807 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.835 22.897 -17.235 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.028 24.179 -17.274 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.681 22.819 -16.161 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.767 21.348 -16.429 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.075 23.155 -15.052 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.242 22.002 -14.134 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.726 21.654 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.403 22.372 -13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.652 21.854 -11.877 1.00 0.00 H new ATOM 973 N GLY A 63 -0.710 24.647 -19.259 1.00 0.00 N ATOM 974 CA GLY A 63 -0.015 25.849 -18.813 1.00 0.00 C ATOM 975 C GLY A 63 0.069 26.003 -17.303 1.00 0.00 C ATOM 976 O GLY A 63 -0.034 27.103 -16.774 1.00 0.00 O ATOM 0 H GLY A 63 -0.110 23.824 -19.319 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.995 25.842 -19.222 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.521 26.721 -19.227 1.00 0.00 H new ATOM 980 N ASP A 64 0.383 24.898 -16.627 1.00 0.00 N ATOM 981 CA ASP A 64 0.973 24.870 -15.303 1.00 0.00 C ATOM 982 C ASP A 64 2.194 25.785 -15.144 1.00 0.00 C ATOM 983 O ASP A 64 2.348 26.465 -14.126 1.00 0.00 O ATOM 984 CB ASP A 64 1.442 23.425 -15.139 1.00 0.00 C ATOM 985 CG ASP A 64 0.412 22.591 -14.427 1.00 0.00 C ATOM 986 OD1 ASP A 64 0.375 22.545 -13.179 1.00 0.00 O ATOM 987 OD2 ASP A 64 -0.381 21.970 -15.155 1.00 0.00 O ATOM 0 H ASP A 64 0.224 23.965 -17.008 1.00 0.00 H new ATOM 0 HA ASP A 64 0.245 25.215 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.647 22.994 -16.119 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.378 23.406 -14.580 1.00 0.00 H new ATOM 992 N GLY A 65 3.110 25.695 -16.115 1.00 0.00 N ATOM 993 CA GLY A 65 4.529 25.914 -15.882 1.00 0.00 C ATOM 994 C GLY A 65 5.296 24.604 -16.006 1.00 0.00 C ATOM 995 O GLY A 65 4.743 23.595 -16.442 1.00 0.00 O ATOM 0 H GLY A 65 2.881 25.468 -17.083 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.914 26.638 -16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.680 26.338 -14.889 1.00 0.00 H new ATOM 999 N TYR A 66 6.590 24.619 -15.710 1.00 0.00 N ATOM 1000 CA TYR A 66 7.204 23.524 -14.965 1.00 0.00 C ATOM 1001 C TYR A 66 6.925 23.761 -13.467 1.00 0.00 C ATOM 1002 O TYR A 66 6.079 24.583 -13.105 1.00 0.00 O ATOM 1003 CB TYR A 66 8.711 23.514 -15.256 1.00 0.00 C ATOM 1004 CG TYR A 66 9.125 23.184 -16.680 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.863 21.905 -17.218 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.845 24.126 -17.439 1.00 0.00 C ATOM 1007 CE1 TYR A 66 9.327 21.560 -18.504 1.00 0.00 C ATOM 1008 CE2 TYR A 66 10.297 23.790 -18.733 1.00 0.00 C ATOM 1009 CZ TYR A 66 10.057 22.503 -19.263 1.00 0.00 C ATOM 1010 OH TYR A 66 10.528 22.194 -20.503 1.00 0.00 O ATOM 0 H TYR A 66 7.230 25.369 -15.971 1.00 0.00 H new ATOM 0 HA TYR A 66 6.794 22.557 -15.258 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.114 24.495 -15.002 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.183 22.793 -14.588 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.303 21.185 -16.640 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.051 25.105 -17.031 1.00 0.00 H new ATOM 0 HE1 TYR A 66 9.125 20.579 -18.908 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.830 24.522 -19.322 1.00 0.00 H new ATOM 0 HH TYR A 66 11.005 22.966 -20.874 1.00 0.00 H new ATOM 1020 N VAL A 67 7.661 23.111 -12.566 1.00 0.00 N ATOM 1021 CA VAL A 67 7.841 23.652 -11.210 1.00 0.00 C ATOM 1022 C VAL A 67 8.845 24.805 -11.212 1.00 0.00 C ATOM 1023 O VAL A 67 10.015 24.691 -10.867 1.00 0.00 O ATOM 1024 CB VAL A 67 8.183 22.607 -10.167 1.00 0.00 C ATOM 1025 CG1 VAL A 67 6.935 21.777 -9.842 1.00 0.00 C ATOM 1026 CG2 VAL A 67 9.313 21.651 -10.582 1.00 0.00 C ATOM 0 H VAL A 67 8.136 22.225 -12.740 1.00 0.00 H new ATOM 0 HA VAL A 67 6.868 24.040 -10.909 1.00 0.00 H new ATOM 0 HB VAL A 67 8.538 23.159 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.183 21.026 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.153 22.431 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.581 21.283 -10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.496 20.935 -9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.024 21.117 -11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.221 22.222 -10.772 1.00 0.00 H new ATOM 1036 N ASP A 68 8.310 25.945 -11.611 1.00 0.00 N ATOM 1037 CA ASP A 68 8.980 27.196 -11.940 1.00 0.00 C ATOM 1038 C ASP A 68 9.497 27.964 -10.715 1.00 0.00 C ATOM 1039 O ASP A 68 10.229 28.945 -10.835 1.00 0.00 O ATOM 1040 CB ASP A 68 7.952 28.090 -12.614 1.00 0.00 C ATOM 1041 CG ASP A 68 7.332 27.593 -13.925 1.00 0.00 C ATOM 1042 OD1 ASP A 68 7.972 26.866 -14.719 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.139 27.924 -14.102 1.00 0.00 O ATOM 0 H ASP A 68 7.300 26.029 -11.724 1.00 0.00 H new ATOM 0 HA ASP A 68 9.839 26.949 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.143 28.266 -11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.421 29.055 -12.808 1.00 0.00 H new ATOM 1048 N THR A 69 9.028 27.603 -9.522 1.00 0.00 N ATOM 1049 CA THR A 69 9.313 28.354 -8.291 1.00 0.00 C ATOM 1050 C THR A 69 9.263 27.432 -7.092 1.00 0.00 C ATOM 1051 O THR A 69 8.608 26.396 -7.131 1.00 0.00 O ATOM 1052 CB THR A 69 8.313 29.504 -8.063 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.645 29.906 -9.240 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.997 30.755 -7.514 1.00 0.00 C ATOM 0 H THR A 69 8.440 26.783 -9.377 1.00 0.00 H new ATOM 0 HA THR A 69 10.310 28.779 -8.408 1.00 0.00 H new ATOM 0 HB THR A 69 7.598 29.094 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.025 30.635 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.256 31.541 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.471 30.522 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.753 31.096 -8.221 1.00 0.00 H new ATOM 1062 N GLU A 70 9.856 27.870 -5.985 1.00 0.00 N ATOM 1063 CA GLU A 70 9.829 27.167 -4.690 1.00 0.00 C ATOM 1064 C GLU A 70 8.400 26.821 -4.315 1.00 0.00 C ATOM 1065 O GLU A 70 8.020 25.664 -4.208 1.00 0.00 O ATOM 1066 CB GLU A 70 10.460 28.059 -3.603 1.00 0.00 C ATOM 1067 CG GLU A 70 11.247 27.281 -2.538 1.00 0.00 C ATOM 1068 CD GLU A 70 10.341 26.595 -1.503 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.763 27.297 -0.647 1.00 0.00 O ATOM 1070 OE2 GLU A 70 10.238 25.352 -1.504 1.00 0.00 O ATOM 0 H GLU A 70 10.383 28.743 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 70 10.402 26.244 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.126 28.779 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.672 28.630 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.864 26.528 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.924 27.963 -2.024 1.00 0.00 H new ATOM 1077 N SER A 71 7.568 27.853 -4.284 1.00 0.00 N ATOM 1078 CA SER A 71 6.165 27.696 -3.874 1.00 0.00 C ATOM 1079 C SER A 71 5.353 26.813 -4.826 1.00 0.00 C ATOM 1080 O SER A 71 4.386 26.164 -4.421 1.00 0.00 O ATOM 1081 CB SER A 71 5.511 29.067 -3.739 1.00 0.00 C ATOM 1082 OG SER A 71 4.596 29.054 -2.661 1.00 0.00 O ATOM 0 H SER A 71 7.831 28.806 -4.535 1.00 0.00 H new ATOM 0 HA SER A 71 6.171 27.187 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.272 29.829 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.995 29.327 -4.663 1.00 0.00 H new ATOM 0 HG SER A 71 4.178 29.936 -2.576 1.00 0.00 H new ATOM 1088 N LYS A 72 5.779 26.739 -6.098 1.00 0.00 N ATOM 1089 CA LYS A 72 5.222 25.820 -7.096 1.00 0.00 C ATOM 1090 C LYS A 72 5.685 24.382 -6.846 1.00 0.00 C ATOM 1091 O LYS A 72 4.858 23.482 -6.748 1.00 0.00 O ATOM 1092 CB LYS A 72 5.506 26.311 -8.534 1.00 0.00 C ATOM 1093 CG LYS A 72 4.496 25.694 -9.519 1.00 0.00 C ATOM 1094 CD LYS A 72 4.591 26.246 -10.949 1.00 0.00 C ATOM 1095 CE LYS A 72 4.109 27.694 -11.091 1.00 0.00 C ATOM 1096 NZ LYS A 72 3.940 28.058 -12.522 1.00 0.00 N ATOM 0 H LYS A 72 6.530 27.325 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 72 4.137 25.814 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.444 27.399 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.521 26.039 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.647 24.615 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.488 25.865 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.627 26.184 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.003 25.611 -11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.162 27.820 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.826 28.368 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.340 28.904 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.871 28.256 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.491 27.269 -13.030 1.00 0.00 H new ATOM 1110 N PHE A 73 6.987 24.168 -6.677 1.00 0.00 N ATOM 1111 CA PHE A 73 7.587 22.866 -6.368 1.00 0.00 C ATOM 1112 C PHE A 73 7.039 22.278 -5.062 1.00 0.00 C ATOM 1113 O PHE A 73 6.498 21.176 -5.035 1.00 0.00 O ATOM 1114 CB PHE A 73 9.118 22.998 -6.320 1.00 0.00 C ATOM 1115 CG PHE A 73 9.807 21.708 -5.925 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.604 20.544 -6.692 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.566 21.642 -4.740 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.121 19.312 -6.259 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.092 20.410 -4.312 1.00 0.00 C ATOM 1120 CZ PHE A 73 10.842 19.246 -5.056 1.00 0.00 C ATOM 0 H PHE A 73 7.677 24.915 -6.753 1.00 0.00 H new ATOM 0 HA PHE A 73 7.316 22.169 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.482 23.314 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.388 23.781 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.049 20.599 -7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.744 22.536 -4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.965 18.420 -6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.687 20.359 -3.412 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.207 18.294 -4.701 1.00 0.00 H new ATOM 1130 N ARG A 74 7.082 23.056 -3.982 1.00 0.00 N ATOM 1131 CA ARG A 74 6.605 22.727 -2.634 1.00 0.00 C ATOM 1132 C ARG A 74 5.128 22.344 -2.591 1.00 0.00 C ATOM 1133 O ARG A 74 4.716 21.619 -1.690 1.00 0.00 O ATOM 1134 CB ARG A 74 6.900 23.941 -1.732 1.00 0.00 C ATOM 1135 CG ARG A 74 7.128 23.601 -0.255 1.00 0.00 C ATOM 1136 CD ARG A 74 7.420 24.901 0.510 1.00 0.00 C ATOM 1137 NE ARG A 74 7.997 24.640 1.842 1.00 0.00 N ATOM 1138 CZ ARG A 74 9.223 24.940 2.246 1.00 0.00 C ATOM 1139 NH1 ARG A 74 10.086 25.565 1.505 1.00 0.00 N ATOM 1140 NH2 ARG A 74 9.614 24.600 3.444 1.00 0.00 N ATOM 0 H ARG A 74 7.476 23.996 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 74 7.130 21.841 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.783 24.454 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.068 24.642 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.249 23.108 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.961 22.906 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.109 25.516 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.498 25.472 0.620 1.00 0.00 H new ATOM 0 HE ARG A 74 7.390 24.182 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.833 25.851 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.017 25.770 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.976 24.104 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.557 24.830 3.757 1.00 0.00 H new ATOM 1154 N LYS A 75 4.331 22.771 -3.580 1.00 0.00 N ATOM 1155 CA LYS A 75 2.942 22.347 -3.789 1.00 0.00 C ATOM 1156 C LYS A 75 2.842 20.859 -4.123 1.00 0.00 C ATOM 1157 O LYS A 75 1.964 20.173 -3.600 1.00 0.00 O ATOM 1158 CB LYS A 75 2.300 23.191 -4.907 1.00 0.00 C ATOM 1159 CG LYS A 75 0.833 23.517 -4.608 1.00 0.00 C ATOM 1160 CD LYS A 75 0.741 24.610 -3.532 1.00 0.00 C ATOM 1161 CE LYS A 75 -0.703 25.067 -3.292 1.00 0.00 C ATOM 1162 NZ LYS A 75 -1.503 24.021 -2.605 1.00 0.00 N ATOM 0 H LYS A 75 4.647 23.443 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 75 2.401 22.506 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.860 24.118 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.367 22.652 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.334 23.850 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.315 22.619 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.161 24.235 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.346 25.465 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.702 25.977 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.170 25.315 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.473 24.366 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.525 23.161 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.072 23.803 -1.684 1.00 0.00 H new ATOM 1176 N LEU A 76 3.785 20.380 -4.931 1.00 0.00 N ATOM 1177 CA LEU A 76 3.938 18.962 -5.252 1.00 0.00 C ATOM 1178 C LEU A 76 4.516 18.195 -4.080 1.00 0.00 C ATOM 1179 O LEU A 76 3.904 17.228 -3.639 1.00 0.00 O ATOM 1180 CB LEU A 76 4.802 18.788 -6.517 1.00 0.00 C ATOM 1181 CG LEU A 76 4.900 17.339 -7.038 1.00 0.00 C ATOM 1182 CD1 LEU A 76 3.556 16.786 -7.514 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.856 17.280 -8.231 1.00 0.00 C ATOM 0 H LEU A 76 4.475 20.975 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 76 2.950 18.548 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.394 19.417 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.807 19.153 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 76 5.253 16.739 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.688 15.764 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.846 16.794 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.175 17.405 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.921 16.255 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.484 17.924 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.845 17.619 -7.922 1.00 0.00 H new ATOM 1195 N VAL A 77 5.630 18.672 -3.531 1.00 0.00 N ATOM 1196 CA VAL A 77 6.255 18.019 -2.362 1.00 0.00 C ATOM 1197 C VAL A 77 5.250 17.851 -1.232 1.00 0.00 C ATOM 1198 O VAL A 77 5.103 16.765 -0.683 1.00 0.00 O ATOM 1199 CB VAL A 77 7.503 18.751 -1.841 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.158 17.992 -0.677 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.541 18.902 -2.942 1.00 0.00 C ATOM 0 H VAL A 77 6.122 19.500 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 77 6.584 17.041 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 77 7.169 19.730 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.037 18.539 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.446 17.899 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.457 16.999 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.415 19.423 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.837 17.916 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.117 19.476 -3.766 1.00 0.00 H new ATOM 1211 N THR A 78 4.458 18.884 -0.947 1.00 0.00 N ATOM 1212 CA THR A 78 3.437 18.812 0.095 1.00 0.00 C ATOM 1213 C THR A 78 2.345 17.810 -0.232 1.00 0.00 C ATOM 1214 O THR A 78 1.906 17.078 0.656 1.00 0.00 O ATOM 1215 CB THR A 78 2.842 20.194 0.408 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.870 21.078 0.776 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.855 20.183 1.575 1.00 0.00 C ATOM 0 H THR A 78 4.505 19.783 -1.426 1.00 0.00 H new ATOM 0 HA THR A 78 3.942 18.455 0.993 1.00 0.00 H new ATOM 0 HB THR A 78 2.320 20.500 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.242 21.500 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.475 21.191 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.025 19.516 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.360 19.834 2.476 1.00 0.00 H new ATOM 1225 N ALA A 79 1.947 17.711 -1.500 1.00 0.00 N ATOM 1226 CA ALA A 79 0.886 16.793 -1.890 1.00 0.00 C ATOM 1227 C ALA A 79 1.343 15.337 -1.915 1.00 0.00 C ATOM 1228 O ALA A 79 0.608 14.435 -1.512 1.00 0.00 O ATOM 1229 CB ALA A 79 0.309 17.246 -3.235 1.00 0.00 C ATOM 0 H ALA A 79 2.343 18.253 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 79 0.101 16.827 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.487 16.565 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.093 18.254 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.096 17.241 -3.989 1.00 0.00 H new ATOM 1235 N ILE A 80 2.598 15.119 -2.287 1.00 0.00 N ATOM 1236 CA ILE A 80 3.203 13.795 -2.288 1.00 0.00 C ATOM 1237 C ILE A 80 3.493 13.376 -0.850 1.00 0.00 C ATOM 1238 O ILE A 80 3.273 12.217 -0.514 1.00 0.00 O ATOM 1239 CB ILE A 80 4.445 13.766 -3.195 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.086 14.048 -4.677 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.167 12.416 -3.071 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.225 12.994 -5.386 1.00 0.00 C ATOM 0 H ILE A 80 3.227 15.860 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 80 2.512 13.064 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 80 5.112 14.561 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.564 15.004 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.014 14.163 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.044 12.411 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.479 12.264 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.492 11.614 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.043 13.305 -6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.746 12.037 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.274 12.890 -4.864 1.00 0.00 H new ATOM 1254 N LYS A 81 3.830 14.316 0.046 1.00 0.00 N ATOM 1255 CA LYS A 81 4.057 14.028 1.473 1.00 0.00 C ATOM 1256 C LYS A 81 2.764 13.540 2.116 1.00 0.00 C ATOM 1257 O LYS A 81 2.757 12.612 2.923 1.00 0.00 O ATOM 1258 CB LYS A 81 4.549 15.293 2.207 1.00 0.00 C ATOM 1259 CG LYS A 81 5.263 14.997 3.542 1.00 0.00 C ATOM 1260 CD LYS A 81 4.525 15.444 4.815 1.00 0.00 C ATOM 1261 CE LYS A 81 3.292 14.577 5.095 1.00 0.00 C ATOM 1262 NZ LYS A 81 2.795 14.734 6.483 1.00 0.00 N ATOM 0 H LYS A 81 3.953 15.299 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 81 4.819 13.253 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.230 15.839 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.697 15.946 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.440 13.923 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.240 15.480 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.205 15.394 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.221 16.485 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.499 14.841 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.539 13.530 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.961 14.128 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.541 14.457 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.533 15.727 6.648 1.00 0.00 H new ATOM 1276 N ALA A 82 1.679 14.241 1.798 1.00 0.00 N ATOM 1277 CA ALA A 82 0.320 13.954 2.239 1.00 0.00 C ATOM 1278 C ALA A 82 -0.144 12.588 1.724 1.00 0.00 C ATOM 1279 O ALA A 82 -0.578 11.760 2.521 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.614 15.088 1.799 1.00 0.00 C ATOM 0 H ALA A 82 1.728 15.064 1.197 1.00 0.00 H new ATOM 0 HA ALA A 82 0.296 13.902 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.630 14.872 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.280 16.027 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.596 15.173 0.712 1.00 0.00 H new ATOM 1286 N ALA A 83 0.029 12.326 0.425 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.262 11.035 -0.187 1.00 0.00 C ATOM 1288 C ALA A 83 0.554 9.889 0.421 1.00 0.00 C ATOM 1289 O ALA A 83 0.011 8.821 0.702 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.064 11.143 -1.703 1.00 0.00 C ATOM 0 H ALA A 83 0.380 13.018 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.302 10.784 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.280 10.181 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.738 11.899 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.967 11.426 -1.916 1.00 0.00 H new ATOM 1296 N LEU A 84 1.833 10.136 0.703 1.00 0.00 N ATOM 1297 CA LEU A 84 2.726 9.166 1.339 1.00 0.00 C ATOM 1298 C LEU A 84 2.187 8.787 2.718 1.00 0.00 C ATOM 1299 O LEU A 84 1.966 7.617 3.016 1.00 0.00 O ATOM 1300 CB LEU A 84 4.145 9.760 1.417 1.00 0.00 C ATOM 1301 CG LEU A 84 5.296 8.761 1.526 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.308 7.947 2.820 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.278 7.852 0.298 1.00 0.00 C ATOM 0 H LEU A 84 2.284 11.026 0.494 1.00 0.00 H new ATOM 0 HA LEU A 84 2.773 8.252 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.308 10.373 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.189 10.427 2.278 1.00 0.00 H new ATOM 0 HG LEU A 84 6.220 9.339 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.158 7.264 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.391 8.621 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.384 7.375 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.096 7.134 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.329 7.318 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.397 8.455 -0.603 1.00 0.00 H new ATOM 1315 N ALA A 85 1.905 9.796 3.543 1.00 0.00 N ATOM 1316 CA ALA A 85 1.361 9.619 4.890 1.00 0.00 C ATOM 1317 C ALA A 85 -0.044 8.976 4.947 1.00 0.00 C ATOM 1318 O ALA A 85 -0.420 8.429 5.985 1.00 0.00 O ATOM 1319 CB ALA A 85 1.415 10.966 5.624 1.00 0.00 C ATOM 0 H ALA A 85 2.050 10.774 3.291 1.00 0.00 H new ATOM 0 HA ALA A 85 1.990 8.888 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.012 10.849 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.449 11.306 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.822 11.701 5.079 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.772 8.976 3.829 1.00 0.00 N ATOM 1326 CA GLN A 86 -2.043 8.274 3.628 1.00 0.00 C ATOM 1327 C GLN A 86 -1.766 6.801 3.306 1.00 0.00 C ATOM 1328 O GLN A 86 -2.228 5.896 3.993 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.872 9.029 2.557 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.324 8.544 2.387 1.00 0.00 C ATOM 1331 CD GLN A 86 -5.156 9.471 1.484 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -4.970 9.571 0.280 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -6.110 10.211 2.018 1.00 0.00 N ATOM 0 H GLN A 86 -0.478 9.490 2.998 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.651 8.268 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.888 10.088 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.362 8.941 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.320 7.539 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.798 8.476 3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.297 10.157 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.660 10.837 1.429 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.936 6.573 2.294 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.548 5.261 1.777 1.00 0.00 C ATOM 1344 C CYS A 87 0.352 4.422 2.698 1.00 0.00 C ATOM 1345 O CYS A 87 0.396 3.200 2.542 1.00 0.00 O ATOM 1346 CB CYS A 87 0.158 5.478 0.432 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.382 4.218 -0.751 1.00 0.00 S ATOM 0 H CYS A 87 -0.491 7.336 1.784 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.467 4.681 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.069 6.472 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.239 5.426 0.565 1.00 0.00 H new ATOM 0 HG CYS A 87 0.217 4.407 -1.889 1.00 0.00 H new ATOM 1353 N GLN A 88 1.088 5.031 3.634 1.00 0.00 N ATOM 1354 CA GLN A 88 2.041 4.280 4.474 1.00 0.00 C ATOM 1355 C GLN A 88 1.390 3.216 5.375 1.00 0.00 C ATOM 1356 O GLN A 88 2.018 2.197 5.653 1.00 0.00 O ATOM 1357 CB GLN A 88 2.979 5.220 5.251 1.00 0.00 C ATOM 1358 CG GLN A 88 2.311 6.279 6.142 1.00 0.00 C ATOM 1359 CD GLN A 88 1.663 5.757 7.418 1.00 0.00 C ATOM 1360 OE1 GLN A 88 2.127 4.845 8.075 1.00 0.00 O ATOM 1361 NE2 GLN A 88 0.563 6.344 7.826 1.00 0.00 N ATOM 0 H GLN A 88 1.047 6.031 3.832 1.00 0.00 H new ATOM 0 HA GLN A 88 2.654 3.708 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.630 4.610 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.618 5.734 4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.060 7.022 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.551 6.794 5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.163 7.110 7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.108 6.034 8.685 1.00 0.00 H new