USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 7 LYS NZ :NH3+ -173:sc= 0.171 (180deg=-0.131) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.807 USER MOD Set 1.3: A 71 THR OG1 : rot -110:sc= -0.432 USER MOD Set 2.1: A 42 SER OG : rot -88:sc= 0.33 USER MOD Set 2.2: A 45 TYR OH : rot 94:sc= -3.12! USER MOD Set 3.1: A 29 TYR OH : rot 30:sc= -0.164 USER MOD Set 3.2: A 32 HIS : no HD1:sc= -7.47! C(o=-7.6!,f=-6!) USER MOD Set 4.1: A 21 THR OG1 : rot -67:sc= -1.49! USER MOD Set 4.2: A 48 HIS : no HD1:sc= -11.1! C(o=-13!,f=-6!) USER MOD Single : A 5 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.3!) USER MOD Single : A 9 TYR OH : rot 149:sc= -7.43! USER MOD Single : A 15 SER OG : rot 180:sc= -0.668! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 141:sc= -0.717! (180deg=-3.21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 90:sc= -1.12! USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0223) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.114 (180deg=-0.728) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 135:sc= -0.51 (180deg=-1.82!) USER MOD Single : A 41 TYR OH : rot -50:sc= 0.551 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc=-0.00602 (180deg=-0.182) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-3.4!) USER MOD Single : A 52 ASN : amide:sc= -4.33! C(o=-4.3!,f=-10!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000953) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 5 4.091 16.173 5.213 1.00 0.00 N ATOM 2 CA GLN A 5 3.616 15.211 4.177 1.00 0.00 C ATOM 3 C GLN A 5 4.601 14.043 4.080 1.00 0.00 C ATOM 4 O GLN A 5 4.352 12.969 4.589 1.00 0.00 O ATOM 5 CB GLN A 5 3.526 15.922 2.826 1.00 0.00 C ATOM 6 CG GLN A 5 2.293 16.828 2.810 1.00 0.00 C ATOM 7 CD GLN A 5 2.731 18.288 2.695 1.00 0.00 C ATOM 8 OE1 GLN A 5 3.854 18.569 2.325 1.00 0.00 O ATOM 9 NE2 GLN A 5 1.888 19.237 2.998 1.00 0.00 N ATOM 0 HA GLN A 5 2.631 14.833 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.426 16.511 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.464 15.190 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.647 16.565 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.711 16.683 3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.945 19.002 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.172 20.214 2.924 1.00 0.00 H new ATOM 20 N ARG A 6 5.719 14.250 3.439 1.00 0.00 N ATOM 21 CA ARG A 6 6.734 13.162 3.315 1.00 0.00 C ATOM 22 C ARG A 6 6.244 12.068 2.358 1.00 0.00 C ATOM 23 O ARG A 6 6.933 11.096 2.124 1.00 0.00 O ATOM 24 CB ARG A 6 7.005 12.553 4.696 1.00 0.00 C ATOM 25 CG ARG A 6 7.334 13.671 5.689 1.00 0.00 C ATOM 26 CD ARG A 6 6.469 13.520 6.942 1.00 0.00 C ATOM 27 NE ARG A 6 7.330 13.616 8.155 1.00 0.00 N ATOM 28 CZ ARG A 6 6.792 13.820 9.328 1.00 0.00 C ATOM 29 NH1 ARG A 6 5.498 13.949 9.444 1.00 0.00 N ATOM 30 NH2 ARG A 6 7.551 13.897 10.387 1.00 0.00 N ATOM 0 H ARG A 6 5.975 15.131 2.993 1.00 0.00 H new ATOM 0 HA ARG A 6 7.653 13.588 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.133 11.994 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.834 11.847 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.390 13.633 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.157 14.643 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.704 14.296 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.951 12.561 6.926 1.00 0.00 H new ATOM 0 HE ARG A 6 8.342 13.522 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.904 13.891 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.082 14.108 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.562 13.798 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.133 14.056 11.304 1.00 0.00 H new ATOM 44 N LYS A 7 5.070 12.214 1.797 1.00 0.00 N ATOM 45 CA LYS A 7 4.562 11.170 0.854 1.00 0.00 C ATOM 46 C LYS A 7 4.832 9.780 1.442 1.00 0.00 C ATOM 47 O LYS A 7 5.169 9.676 2.593 1.00 0.00 O ATOM 48 CB LYS A 7 5.283 11.314 -0.487 1.00 0.00 C ATOM 49 CG LYS A 7 5.554 12.795 -0.762 1.00 0.00 C ATOM 50 CD LYS A 7 6.982 13.146 -0.341 1.00 0.00 C ATOM 51 CE LYS A 7 7.670 13.919 -1.470 1.00 0.00 C ATOM 52 NZ LYS A 7 8.565 13.000 -2.228 1.00 0.00 N ATOM 0 H LYS A 7 4.445 13.005 1.949 1.00 0.00 H new ATOM 0 HA LYS A 7 3.489 11.294 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.221 10.758 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.676 10.890 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.414 13.009 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.841 13.412 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.968 13.746 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.540 12.237 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.924 14.350 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.246 14.748 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.121 13.546 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.209 12.519 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.991 12.292 -2.730 1.00 0.00 H new ATOM 66 N VAL A 8 4.643 8.736 0.648 1.00 0.00 N ATOM 67 CA VAL A 8 4.855 7.302 1.091 1.00 0.00 C ATOM 68 C VAL A 8 3.473 6.699 1.403 1.00 0.00 C ATOM 69 O VAL A 8 2.474 7.073 0.826 1.00 0.00 O ATOM 70 CB VAL A 8 5.781 7.188 2.330 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.993 8.120 2.192 1.00 0.00 C ATOM 72 CG2 VAL A 8 5.007 7.511 3.618 1.00 0.00 C ATOM 0 H VAL A 8 4.340 8.823 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 8 5.353 6.758 0.289 1.00 0.00 H new ATOM 0 HB VAL A 8 6.140 6.160 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.628 8.023 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.561 7.848 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.651 9.151 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.675 7.425 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.616 8.527 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.180 6.810 3.731 1.00 0.00 H new ATOM 82 N TYR A 9 3.439 5.786 2.323 1.00 0.00 N ATOM 83 CA TYR A 9 2.190 5.095 2.773 1.00 0.00 C ATOM 84 C TYR A 9 2.669 3.759 3.232 1.00 0.00 C ATOM 85 O TYR A 9 3.832 3.654 3.484 1.00 0.00 O ATOM 86 CB TYR A 9 1.113 4.951 1.674 1.00 0.00 C ATOM 87 CG TYR A 9 1.470 4.016 0.507 1.00 0.00 C ATOM 88 CD1 TYR A 9 2.236 2.826 0.635 1.00 0.00 C ATOM 89 CD2 TYR A 9 0.918 4.317 -0.744 1.00 0.00 C ATOM 90 CE1 TYR A 9 2.428 2.012 -0.458 1.00 0.00 C ATOM 91 CE2 TYR A 9 1.124 3.491 -1.834 1.00 0.00 C ATOM 92 CZ TYR A 9 1.878 2.339 -1.702 1.00 0.00 C ATOM 93 OH TYR A 9 2.063 1.523 -2.798 1.00 0.00 O ATOM 0 H TYR A 9 4.274 5.468 2.814 1.00 0.00 H new ATOM 0 HA TYR A 9 1.686 5.674 3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.195 4.590 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.898 5.940 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.667 2.561 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.321 5.210 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.011 1.109 -0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.695 3.746 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 9 1.284 1.587 -3.389 1.00 0.00 H new ATOM 103 N VAL A 10 1.851 2.725 3.283 1.00 0.00 N ATOM 104 CA VAL A 10 2.388 1.378 3.708 1.00 0.00 C ATOM 105 C VAL A 10 1.367 0.510 4.459 1.00 0.00 C ATOM 106 O VAL A 10 0.697 0.976 5.353 1.00 0.00 O ATOM 107 CB VAL A 10 3.487 1.581 4.758 1.00 0.00 C ATOM 108 CG1 VAL A 10 4.852 1.894 4.144 1.00 0.00 C ATOM 109 CG2 VAL A 10 3.072 2.685 5.703 1.00 0.00 C ATOM 0 H VAL A 10 0.857 2.750 3.055 1.00 0.00 H new ATOM 0 HA VAL A 10 2.703 0.901 2.780 1.00 0.00 H new ATOM 0 HB VAL A 10 3.602 0.641 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.586 2.027 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.159 1.070 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.785 2.809 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.850 2.834 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.926 3.608 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.140 2.410 6.197 1.00 0.00 H new ATOM 119 N GLY A 11 1.345 -0.799 4.194 1.00 0.00 N ATOM 120 CA GLY A 11 0.471 -1.673 5.018 1.00 0.00 C ATOM 121 C GLY A 11 -0.519 -2.643 4.378 1.00 0.00 C ATOM 122 O GLY A 11 -0.162 -3.640 3.810 1.00 0.00 O ATOM 0 H GLY A 11 1.883 -1.266 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.127 -2.265 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.105 -1.019 5.672 1.00 0.00 H new ATOM 126 N ARG A 12 -1.773 -2.420 4.645 1.00 0.00 N ATOM 127 CA ARG A 12 -2.839 -3.379 4.251 1.00 0.00 C ATOM 128 C ARG A 12 -2.429 -4.271 3.169 1.00 0.00 C ATOM 129 O ARG A 12 -2.063 -3.862 2.115 1.00 0.00 O ATOM 130 CB ARG A 12 -4.173 -2.682 3.942 1.00 0.00 C ATOM 131 CG ARG A 12 -5.268 -3.247 4.849 1.00 0.00 C ATOM 132 CD ARG A 12 -5.647 -4.660 4.404 1.00 0.00 C ATOM 133 NE ARG A 12 -6.298 -5.371 5.541 1.00 0.00 N ATOM 134 CZ ARG A 12 -6.987 -6.460 5.331 1.00 0.00 C ATOM 135 NH1 ARG A 12 -7.109 -6.942 4.125 1.00 0.00 N ATOM 136 NH2 ARG A 12 -7.557 -7.069 6.334 1.00 0.00 N ATOM 0 H ARG A 12 -2.112 -1.591 5.133 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.006 -4.009 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.078 -1.607 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.440 -2.832 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.921 -3.264 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.145 -2.601 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.324 -4.617 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.759 -5.203 4.080 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.205 -5.005 6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.665 -6.468 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.649 -7.793 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.464 -6.694 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.096 -7.920 6.174 1.00 0.00 H new ATOM 150 N VAL A 13 -2.562 -5.522 3.509 1.00 0.00 N ATOM 151 CA VAL A 13 -2.309 -6.669 2.637 1.00 0.00 C ATOM 152 C VAL A 13 -0.862 -6.787 2.083 1.00 0.00 C ATOM 153 O VAL A 13 0.036 -7.002 2.862 1.00 0.00 O ATOM 154 CB VAL A 13 -3.425 -6.736 1.611 1.00 0.00 C ATOM 155 CG1 VAL A 13 -4.556 -7.512 2.267 1.00 0.00 C ATOM 156 CG2 VAL A 13 -3.979 -5.352 1.274 1.00 0.00 C ATOM 0 H VAL A 13 -2.864 -5.799 4.443 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.340 -7.579 3.236 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.043 -7.189 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.392 -7.593 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.207 -8.510 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.881 -6.990 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.775 -5.449 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.376 -4.889 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.181 -4.730 0.868 1.00 0.00 H new ATOM 166 N VAL A 14 -0.636 -6.729 0.774 1.00 0.00 N ATOM 167 CA VAL A 14 0.738 -6.924 0.166 1.00 0.00 C ATOM 168 C VAL A 14 0.525 -7.796 -1.044 1.00 0.00 C ATOM 169 O VAL A 14 0.797 -7.453 -2.171 1.00 0.00 O ATOM 170 CB VAL A 14 1.719 -7.622 1.089 1.00 0.00 C ATOM 171 CG1 VAL A 14 2.821 -8.341 0.299 1.00 0.00 C ATOM 172 CG2 VAL A 14 2.338 -6.562 1.927 1.00 0.00 C ATOM 0 H VAL A 14 -1.368 -6.550 0.087 1.00 0.00 H new ATOM 0 HA VAL A 14 1.169 -5.948 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 14 1.199 -8.373 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.506 -8.830 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.371 -9.088 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.370 -7.616 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.056 -7.013 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.850 -5.844 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.563 -6.051 2.498 1.00 0.00 H new ATOM 182 N SER A 15 -0.025 -8.913 -0.762 1.00 0.00 N ATOM 183 CA SER A 15 -0.409 -9.888 -1.797 1.00 0.00 C ATOM 184 C SER A 15 -1.919 -9.735 -1.904 1.00 0.00 C ATOM 185 O SER A 15 -2.436 -9.243 -2.880 1.00 0.00 O ATOM 186 CB SER A 15 -0.044 -11.305 -1.351 1.00 0.00 C ATOM 187 OG SER A 15 -0.993 -12.223 -1.877 1.00 0.00 O ATOM 0 H SER A 15 -0.238 -9.212 0.190 1.00 0.00 H new ATOM 0 HA SER A 15 0.098 -9.720 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.957 -11.561 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.029 -11.363 -0.263 1.00 0.00 H new ATOM 0 HG SER A 15 -0.760 -13.132 -1.594 1.00 0.00 H new ATOM 193 N ASP A 16 -2.612 -10.109 -0.856 1.00 0.00 N ATOM 194 CA ASP A 16 -4.093 -9.933 -0.791 1.00 0.00 C ATOM 195 C ASP A 16 -4.797 -11.222 -1.215 1.00 0.00 C ATOM 196 O ASP A 16 -6.009 -11.285 -1.230 1.00 0.00 O ATOM 197 CB ASP A 16 -4.545 -8.710 -1.619 1.00 0.00 C ATOM 198 CG ASP A 16 -4.983 -9.133 -3.026 1.00 0.00 C ATOM 199 OD1 ASP A 16 -5.906 -9.925 -3.126 1.00 0.00 O ATOM 200 OD2 ASP A 16 -4.394 -8.652 -3.978 1.00 0.00 O ATOM 0 H ASP A 16 -2.202 -10.538 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.381 -9.729 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.369 -8.208 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.729 -7.991 -1.689 1.00 0.00 H new ATOM 205 N LYS A 17 -4.043 -12.242 -1.574 1.00 0.00 N ATOM 206 CA LYS A 17 -4.649 -13.531 -2.010 1.00 0.00 C ATOM 207 C LYS A 17 -4.840 -13.498 -3.523 1.00 0.00 C ATOM 208 O LYS A 17 -5.373 -12.559 -4.068 1.00 0.00 O ATOM 209 CB LYS A 17 -5.992 -13.789 -1.286 1.00 0.00 C ATOM 210 CG LYS A 17 -7.184 -13.455 -2.198 1.00 0.00 C ATOM 211 CD LYS A 17 -8.487 -13.563 -1.405 1.00 0.00 C ATOM 212 CE LYS A 17 -9.118 -12.177 -1.272 1.00 0.00 C ATOM 213 NZ LYS A 17 -9.315 -11.860 0.172 1.00 0.00 N ATOM 0 H LYS A 17 -3.023 -12.227 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.981 -14.351 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.048 -14.833 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.042 -13.185 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.075 -12.448 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.207 -14.138 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.176 -14.242 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.291 -13.982 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.477 -11.427 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.073 -12.148 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.744 -10.917 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.942 -12.570 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.396 -11.871 0.658 1.00 0.00 H new ATOM 227 N MET A 18 -4.401 -14.534 -4.172 1.00 0.00 N ATOM 228 CA MET A 18 -4.510 -14.656 -5.659 1.00 0.00 C ATOM 229 C MET A 18 -3.377 -15.553 -6.148 1.00 0.00 C ATOM 230 O MET A 18 -2.765 -15.288 -7.161 1.00 0.00 O ATOM 231 CB MET A 18 -4.401 -13.284 -6.350 1.00 0.00 C ATOM 232 CG MET A 18 -4.661 -13.436 -7.852 1.00 0.00 C ATOM 233 SD MET A 18 -6.447 -13.424 -8.155 1.00 0.00 S ATOM 234 CE MET A 18 -6.796 -11.811 -7.411 1.00 0.00 C ATOM 0 H MET A 18 -3.954 -15.333 -3.722 1.00 0.00 H new ATOM 0 HA MET A 18 -5.484 -15.078 -5.906 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.121 -12.590 -5.916 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.410 -12.861 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.182 -12.624 -8.400 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.225 -14.366 -8.216 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.541 -11.288 -8.010 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.177 -11.952 -6.400 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.880 -11.221 -7.375 1.00 0.00 H new ATOM 244 N ASP A 19 -3.112 -16.623 -5.425 1.00 0.00 N ATOM 245 CA ASP A 19 -2.029 -17.574 -5.811 1.00 0.00 C ATOM 246 C ASP A 19 -0.933 -16.843 -6.583 1.00 0.00 C ATOM 247 O ASP A 19 -0.394 -17.362 -7.541 1.00 0.00 O ATOM 248 CB ASP A 19 -2.621 -18.676 -6.691 1.00 0.00 C ATOM 249 CG ASP A 19 -2.171 -20.043 -6.174 1.00 0.00 C ATOM 250 OD1 ASP A 19 -2.125 -20.212 -4.967 1.00 0.00 O ATOM 251 OD2 ASP A 19 -1.879 -20.896 -6.995 1.00 0.00 O ATOM 0 H ASP A 19 -3.612 -16.875 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.596 -18.008 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.709 -18.614 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.299 -18.543 -7.724 1.00 0.00 H new ATOM 256 N LYS A 20 -0.608 -15.634 -6.201 1.00 0.00 N ATOM 257 CA LYS A 20 0.440 -14.902 -6.966 1.00 0.00 C ATOM 258 C LYS A 20 1.169 -13.922 -6.057 1.00 0.00 C ATOM 259 O LYS A 20 2.376 -13.850 -6.082 1.00 0.00 O ATOM 260 CB LYS A 20 -0.223 -14.133 -8.110 1.00 0.00 C ATOM 261 CG LYS A 20 0.847 -13.606 -9.071 1.00 0.00 C ATOM 262 CD LYS A 20 0.184 -12.736 -10.144 1.00 0.00 C ATOM 263 CE LYS A 20 0.076 -13.528 -11.449 1.00 0.00 C ATOM 264 NZ LYS A 20 -1.099 -13.045 -12.229 1.00 0.00 N ATOM 0 H LYS A 20 -1.014 -15.133 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 20 1.160 -15.618 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.916 -14.784 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.807 -13.303 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.589 -13.025 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.375 -14.438 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.806 -12.423 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.768 -11.829 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.988 -13.410 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.029 -14.591 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.172 -13.583 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.966 -13.179 -11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.980 -12.035 -12.446 1.00 0.00 H new ATOM 278 N THR A 21 0.426 -13.162 -5.286 1.00 0.00 N ATOM 279 CA THR A 21 1.023 -12.141 -4.351 1.00 0.00 C ATOM 280 C THR A 21 0.912 -10.761 -4.997 1.00 0.00 C ATOM 281 O THR A 21 0.360 -10.622 -6.070 1.00 0.00 O ATOM 282 CB THR A 21 2.493 -12.428 -3.997 1.00 0.00 C ATOM 283 OG1 THR A 21 3.333 -12.093 -5.094 1.00 0.00 O ATOM 284 CG2 THR A 21 2.669 -13.902 -3.621 1.00 0.00 C ATOM 0 H THR A 21 -0.593 -13.205 -5.262 1.00 0.00 H new ATOM 0 HA THR A 21 0.464 -12.187 -3.417 1.00 0.00 H new ATOM 0 HB THR A 21 2.775 -11.816 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.159 -12.706 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.713 -14.092 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.043 -14.135 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.376 -14.530 -4.463 1.00 0.00 H new ATOM 292 N ILE A 22 1.426 -9.739 -4.357 1.00 0.00 N ATOM 293 CA ILE A 22 1.351 -8.378 -4.931 1.00 0.00 C ATOM 294 C ILE A 22 0.036 -7.736 -4.517 1.00 0.00 C ATOM 295 O ILE A 22 -0.988 -8.378 -4.494 1.00 0.00 O ATOM 296 CB ILE A 22 1.528 -8.418 -6.464 1.00 0.00 C ATOM 297 CG1 ILE A 22 2.485 -7.300 -6.889 1.00 0.00 C ATOM 298 CG2 ILE A 22 0.184 -8.234 -7.183 1.00 0.00 C ATOM 299 CD1 ILE A 22 3.922 -7.689 -6.528 1.00 0.00 C ATOM 0 H ILE A 22 1.897 -9.800 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 22 2.166 -7.767 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 22 1.934 -9.391 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.403 -7.126 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.214 -6.368 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.341 -8.267 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.497 -9.033 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.247 -7.271 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.602 -6.893 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.998 -7.841 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.190 -8.611 -7.044 1.00 0.00 H new ATOM 311 N THR A 23 0.133 -6.490 -4.128 1.00 0.00 N ATOM 312 CA THR A 23 -0.997 -5.669 -3.621 1.00 0.00 C ATOM 313 C THR A 23 -0.562 -5.162 -2.220 1.00 0.00 C ATOM 314 O THR A 23 0.552 -5.297 -1.814 1.00 0.00 O ATOM 315 CB THR A 23 -2.315 -6.485 -3.562 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.566 -7.065 -4.833 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.516 -5.592 -3.239 1.00 0.00 C ATOM 0 H THR A 23 1.017 -5.981 -4.146 1.00 0.00 H new ATOM 0 HA THR A 23 -1.209 -4.833 -4.287 1.00 0.00 H new ATOM 0 HB THR A 23 -2.195 -7.239 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.140 -7.946 -4.880 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.421 -6.198 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.364 -5.114 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.619 -4.828 -4.009 1.00 0.00 H new ATOM 325 N VAL A 24 -1.457 -4.613 -1.521 1.00 0.00 N ATOM 326 CA VAL A 24 -1.288 -4.036 -0.155 1.00 0.00 C ATOM 327 C VAL A 24 -2.417 -3.000 -0.156 1.00 0.00 C ATOM 328 O VAL A 24 -3.443 -3.282 -0.737 1.00 0.00 O ATOM 329 CB VAL A 24 0.194 -3.519 0.301 1.00 0.00 C ATOM 330 CG1 VAL A 24 1.130 -3.141 -0.854 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.196 -2.327 1.350 1.00 0.00 C ATOM 0 H VAL A 24 -2.414 -4.520 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.358 -4.786 0.633 1.00 0.00 H new ATOM 0 HB VAL A 24 0.582 -4.413 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.088 -2.811 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.285 -4.009 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.683 -2.335 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.224 -2.055 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.317 -1.465 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.318 -2.641 2.259 1.00 0.00 H new ATOM 341 N LEU A 25 -2.355 -1.937 0.507 1.00 0.00 N ATOM 342 CA LEU A 25 -3.525 -1.042 0.598 1.00 0.00 C ATOM 343 C LEU A 25 -3.351 -0.416 1.933 1.00 0.00 C ATOM 344 O LEU A 25 -2.777 -1.022 2.823 1.00 0.00 O ATOM 345 CB LEU A 25 -4.841 -1.850 0.657 1.00 0.00 C ATOM 346 CG LEU A 25 -5.558 -1.861 -0.695 1.00 0.00 C ATOM 347 CD1 LEU A 25 -6.388 -3.140 -0.818 1.00 0.00 C ATOM 348 CD2 LEU A 25 -6.489 -0.649 -0.786 1.00 0.00 C ATOM 0 H LEU A 25 -1.529 -1.619 1.014 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.581 -0.358 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.626 -2.874 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.498 -1.422 1.414 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.822 -1.821 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.900 -3.150 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.732 -4.008 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.124 -3.175 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.001 -0.655 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.225 -0.694 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.905 0.266 -0.691 1.00 0.00 H new ATOM 360 N VAL A 26 -3.769 0.783 2.102 1.00 0.00 N ATOM 361 CA VAL A 26 -3.484 1.454 3.414 1.00 0.00 C ATOM 362 C VAL A 26 -3.743 2.953 3.325 1.00 0.00 C ATOM 363 O VAL A 26 -2.988 3.699 2.761 1.00 0.00 O ATOM 364 CB VAL A 26 -1.947 1.402 3.778 1.00 0.00 C ATOM 365 CG1 VAL A 26 -1.819 1.117 5.245 1.00 0.00 C ATOM 366 CG2 VAL A 26 -1.056 0.376 2.989 1.00 0.00 C ATOM 0 H VAL A 26 -4.286 1.336 1.419 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.114 0.936 4.137 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.561 2.378 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.764 1.077 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.311 1.907 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.289 0.160 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.026 0.445 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.429 -0.634 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.095 0.604 1.924 1.00 0.00 H new ATOM 376 N GLU A 27 -4.822 3.372 3.936 1.00 0.00 N ATOM 377 CA GLU A 27 -5.201 4.814 3.956 1.00 0.00 C ATOM 378 C GLU A 27 -4.228 5.600 4.834 1.00 0.00 C ATOM 379 O GLU A 27 -3.051 5.310 4.861 1.00 0.00 O ATOM 380 CB GLU A 27 -6.622 4.930 4.515 1.00 0.00 C ATOM 381 CG GLU A 27 -6.640 4.421 5.959 1.00 0.00 C ATOM 382 CD GLU A 27 -7.763 5.114 6.733 1.00 0.00 C ATOM 383 OE1 GLU A 27 -8.904 4.999 6.314 1.00 0.00 O ATOM 384 OE2 GLU A 27 -7.465 5.746 7.733 1.00 0.00 O ATOM 0 H GLU A 27 -5.469 2.760 4.432 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.161 5.225 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.956 5.967 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.314 4.350 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.788 3.341 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.680 4.618 6.437 1.00 0.00 H new ATOM 391 N THR A 28 -4.720 6.598 5.541 1.00 0.00 N ATOM 392 CA THR A 28 -3.851 7.440 6.419 1.00 0.00 C ATOM 393 C THR A 28 -4.420 8.855 6.457 1.00 0.00 C ATOM 394 O THR A 28 -5.309 9.196 5.710 1.00 0.00 O ATOM 395 CB THR A 28 -2.444 7.542 5.842 1.00 0.00 C ATOM 396 OG1 THR A 28 -1.713 8.525 6.564 1.00 0.00 O ATOM 397 CG2 THR A 28 -2.561 7.958 4.379 1.00 0.00 C ATOM 0 H THR A 28 -5.705 6.864 5.542 1.00 0.00 H new ATOM 0 HA THR A 28 -3.818 6.986 7.409 1.00 0.00 H new ATOM 0 HB THR A 28 -1.926 6.586 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.807 8.593 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.565 8.038 3.943 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.137 7.211 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.064 8.923 4.314 1.00 0.00 H new ATOM 405 N TYR A 29 -3.879 9.678 7.304 1.00 0.00 N ATOM 406 CA TYR A 29 -4.323 11.100 7.404 1.00 0.00 C ATOM 407 C TYR A 29 -5.504 11.247 8.354 1.00 0.00 C ATOM 408 O TYR A 29 -6.175 10.296 8.703 1.00 0.00 O ATOM 409 CB TYR A 29 -4.732 11.665 6.048 1.00 0.00 C ATOM 410 CG TYR A 29 -4.919 13.158 6.201 1.00 0.00 C ATOM 411 CD1 TYR A 29 -3.806 14.005 6.194 1.00 0.00 C ATOM 412 CD2 TYR A 29 -6.205 13.697 6.370 1.00 0.00 C ATOM 413 CE1 TYR A 29 -3.971 15.387 6.347 1.00 0.00 C ATOM 414 CE2 TYR A 29 -6.367 15.079 6.521 1.00 0.00 C ATOM 415 CZ TYR A 29 -5.250 15.923 6.509 1.00 0.00 C ATOM 416 OH TYR A 29 -5.412 17.285 6.661 1.00 0.00 O ATOM 0 H TYR A 29 -3.130 9.423 7.948 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.467 11.657 7.785 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.968 11.451 5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.655 11.199 5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.816 13.592 6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.067 13.046 6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.109 16.038 6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.356 15.495 6.647 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.697 17.755 6.184 1.00 0.00 H new ATOM 426 N LYS A 30 -5.765 12.458 8.749 1.00 0.00 N ATOM 427 CA LYS A 30 -6.900 12.742 9.652 1.00 0.00 C ATOM 428 C LYS A 30 -8.170 12.975 8.804 1.00 0.00 C ATOM 429 O LYS A 30 -8.643 12.074 8.140 1.00 0.00 O ATOM 430 CB LYS A 30 -6.548 13.994 10.446 1.00 0.00 C ATOM 431 CG LYS A 30 -5.662 13.615 11.633 1.00 0.00 C ATOM 432 CD LYS A 30 -4.193 13.739 11.225 1.00 0.00 C ATOM 433 CE LYS A 30 -3.593 14.990 11.865 1.00 0.00 C ATOM 434 NZ LYS A 30 -3.327 14.727 13.307 1.00 0.00 N ATOM 0 H LYS A 30 -5.225 13.279 8.475 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.088 11.911 10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.031 14.709 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.457 14.481 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.872 14.266 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.878 12.596 11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.640 12.854 11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.109 13.796 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.668 15.264 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.278 15.831 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.767 15.508 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.229 14.652 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.798 13.837 13.406 1.00 0.00 H new ATOM 448 N LYS A 31 -8.716 14.172 8.796 1.00 0.00 N ATOM 449 CA LYS A 31 -9.934 14.432 7.967 1.00 0.00 C ATOM 450 C LYS A 31 -10.103 15.934 7.752 1.00 0.00 C ATOM 451 O LYS A 31 -11.177 16.419 7.460 1.00 0.00 O ATOM 452 CB LYS A 31 -11.177 13.869 8.660 1.00 0.00 C ATOM 453 CG LYS A 31 -11.841 12.830 7.757 1.00 0.00 C ATOM 454 CD LYS A 31 -13.340 13.113 7.651 1.00 0.00 C ATOM 455 CE LYS A 31 -14.041 11.904 7.027 1.00 0.00 C ATOM 456 NZ LYS A 31 -13.982 10.752 7.971 1.00 0.00 N ATOM 0 H LYS A 31 -8.371 14.973 9.325 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.813 13.939 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.901 13.415 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.878 14.674 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.387 12.853 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.679 11.830 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.754 13.318 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.512 14.001 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.079 12.149 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.563 11.640 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.781 10.112 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.088 10.238 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.036 11.101 8.949 1.00 0.00 H new ATOM 470 N HIS A 32 -9.034 16.659 7.869 1.00 0.00 N ATOM 471 CA HIS A 32 -9.062 18.127 7.645 1.00 0.00 C ATOM 472 C HIS A 32 -9.829 18.881 8.711 1.00 0.00 C ATOM 473 O HIS A 32 -10.644 18.328 9.424 1.00 0.00 O ATOM 474 CB HIS A 32 -9.679 18.451 6.292 1.00 0.00 C ATOM 475 CG HIS A 32 -8.597 18.317 5.299 1.00 0.00 C ATOM 476 ND1 HIS A 32 -8.083 17.087 5.000 1.00 0.00 N ATOM 477 CD2 HIS A 32 -7.843 19.230 4.612 1.00 0.00 C ATOM 478 CE1 HIS A 32 -7.058 17.278 4.184 1.00 0.00 C ATOM 479 NE2 HIS A 32 -6.860 18.565 3.900 1.00 0.00 N ATOM 0 H HIS A 32 -8.117 16.287 8.117 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.022 18.450 7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.500 17.770 6.066 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.091 19.460 6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.992 20.300 4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.448 16.478 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.145 18.969 3.295 1.00 0.00 H new ATOM 487 N PRO A 33 -9.534 20.155 8.759 1.00 0.00 N ATOM 488 CA PRO A 33 -10.161 21.088 9.696 1.00 0.00 C ATOM 489 C PRO A 33 -11.436 21.649 9.054 1.00 0.00 C ATOM 490 O PRO A 33 -11.936 22.674 9.465 1.00 0.00 O ATOM 491 CB PRO A 33 -9.120 22.210 9.833 1.00 0.00 C ATOM 492 CG PRO A 33 -8.105 22.041 8.662 1.00 0.00 C ATOM 493 CD PRO A 33 -8.519 20.782 7.882 1.00 0.00 C ATOM 0 HA PRO A 33 -10.431 20.637 10.651 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.600 23.188 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.612 22.148 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.116 22.917 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.089 21.940 9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.932 21.032 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.671 20.119 7.710 1.00 0.00 H new ATOM 501 N LEU A 34 -11.922 20.991 8.015 1.00 0.00 N ATOM 502 CA LEU A 34 -13.133 21.461 7.269 1.00 0.00 C ATOM 503 C LEU A 34 -12.648 22.145 5.991 1.00 0.00 C ATOM 504 O LEU A 34 -13.173 23.156 5.570 1.00 0.00 O ATOM 505 CB LEU A 34 -13.963 22.450 8.097 1.00 0.00 C ATOM 506 CG LEU A 34 -15.295 22.713 7.394 1.00 0.00 C ATOM 507 CD1 LEU A 34 -16.124 21.428 7.366 1.00 0.00 C ATOM 508 CD2 LEU A 34 -16.062 23.800 8.149 1.00 0.00 C ATOM 0 H LEU A 34 -11.515 20.129 7.651 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.774 20.608 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.140 22.047 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.416 23.384 8.223 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.107 23.043 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.073 21.618 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.577 20.654 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.313 21.095 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.012 23.989 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.249 23.470 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.472 24.717 8.166 1.00 0.00 H new ATOM 520 N TYR A 35 -11.628 21.597 5.382 1.00 0.00 N ATOM 521 CA TYR A 35 -11.074 22.203 4.139 1.00 0.00 C ATOM 522 C TYR A 35 -12.045 21.989 2.977 1.00 0.00 C ATOM 523 O TYR A 35 -11.826 22.462 1.880 1.00 0.00 O ATOM 524 CB TYR A 35 -9.712 21.565 3.832 1.00 0.00 C ATOM 525 CG TYR A 35 -9.119 22.197 2.595 1.00 0.00 C ATOM 526 CD1 TYR A 35 -9.091 23.590 2.466 1.00 0.00 C ATOM 527 CD2 TYR A 35 -8.592 21.389 1.581 1.00 0.00 C ATOM 528 CE1 TYR A 35 -8.536 24.176 1.323 1.00 0.00 C ATOM 529 CE2 TYR A 35 -8.036 21.974 0.437 1.00 0.00 C ATOM 530 CZ TYR A 35 -8.008 23.368 0.308 1.00 0.00 C ATOM 531 OH TYR A 35 -7.461 23.946 -0.819 1.00 0.00 O ATOM 0 H TYR A 35 -11.154 20.750 5.696 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.941 23.276 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -9.038 21.699 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -9.828 20.491 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.498 24.213 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.614 20.314 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.515 25.251 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.629 21.351 -0.345 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.140 23.245 -1.423 1.00 0.00 H new ATOM 541 N GLY A 36 -13.130 21.299 3.211 1.00 0.00 N ATOM 542 CA GLY A 36 -14.122 21.083 2.123 1.00 0.00 C ATOM 543 C GLY A 36 -13.901 19.724 1.458 1.00 0.00 C ATOM 544 O GLY A 36 -14.044 19.586 0.259 1.00 0.00 O ATOM 0 H GLY A 36 -13.370 20.877 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.132 21.136 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.035 21.876 1.381 1.00 0.00 H new ATOM 548 N LYS A 37 -13.557 18.715 2.212 1.00 0.00 N ATOM 549 CA LYS A 37 -13.341 17.381 1.582 1.00 0.00 C ATOM 550 C LYS A 37 -13.012 16.339 2.648 1.00 0.00 C ATOM 551 O LYS A 37 -12.563 16.661 3.729 1.00 0.00 O ATOM 552 CB LYS A 37 -12.177 17.470 0.595 1.00 0.00 C ATOM 553 CG LYS A 37 -11.070 18.338 1.195 1.00 0.00 C ATOM 554 CD LYS A 37 -11.001 19.665 0.440 1.00 0.00 C ATOM 555 CE LYS A 37 -10.010 19.539 -0.717 1.00 0.00 C ATOM 556 NZ LYS A 37 -10.660 19.995 -1.978 1.00 0.00 N ATOM 0 H LYS A 37 -13.418 18.754 3.222 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.252 17.085 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.794 16.473 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.517 17.896 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.266 18.518 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.113 17.821 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.987 19.932 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.691 20.464 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.121 20.138 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.681 18.505 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.987 19.910 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.495 19.406 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.952 20.988 -1.878 1.00 0.00 H new ATOM 570 N ARG A 38 -13.222 15.086 2.343 1.00 0.00 N ATOM 571 CA ARG A 38 -12.907 14.023 3.335 1.00 0.00 C ATOM 572 C ARG A 38 -11.411 13.699 3.281 1.00 0.00 C ATOM 573 O ARG A 38 -10.955 12.806 3.947 1.00 0.00 O ATOM 574 CB ARG A 38 -13.727 12.770 3.023 1.00 0.00 C ATOM 575 CG ARG A 38 -14.863 12.643 4.041 1.00 0.00 C ATOM 576 CD ARG A 38 -16.179 13.089 3.399 1.00 0.00 C ATOM 577 NE ARG A 38 -17.296 12.212 3.878 1.00 0.00 N ATOM 578 CZ ARG A 38 -17.215 10.910 3.811 1.00 0.00 C ATOM 579 NH1 ARG A 38 -16.231 10.336 3.169 1.00 0.00 N ATOM 580 NH2 ARG A 38 -18.153 10.176 4.344 1.00 0.00 N ATOM 0 H ARG A 38 -13.596 14.756 1.453 1.00 0.00 H new ATOM 0 HA ARG A 38 -13.160 14.372 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.133 12.829 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.090 11.886 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.945 11.611 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.649 13.254 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -16.385 14.129 3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -16.102 13.036 2.313 1.00 0.00 H new ATOM 0 HE ARG A 38 -18.137 12.641 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.517 10.906 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.177 9.318 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.945 10.619 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.095 9.159 4.295 1.00 0.00 H new ATOM 594 N VAL A 39 -10.693 14.423 2.450 1.00 0.00 N ATOM 595 CA VAL A 39 -9.196 14.295 2.242 1.00 0.00 C ATOM 596 C VAL A 39 -8.924 13.245 1.169 1.00 0.00 C ATOM 597 O VAL A 39 -8.598 13.556 0.042 1.00 0.00 O ATOM 598 CB VAL A 39 -8.284 14.096 3.515 1.00 0.00 C ATOM 599 CG1 VAL A 39 -9.034 13.820 4.812 1.00 0.00 C ATOM 600 CG2 VAL A 39 -7.275 12.964 3.289 1.00 0.00 C ATOM 0 H VAL A 39 -11.110 15.148 1.866 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.882 15.287 1.916 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.785 15.057 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.320 13.698 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.698 14.656 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.622 12.908 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.657 12.844 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.809 12.035 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.641 13.207 2.437 1.00 0.00 H new ATOM 610 N LYS A 40 -9.049 11.999 1.561 1.00 0.00 N ATOM 611 CA LYS A 40 -8.796 10.834 0.664 1.00 0.00 C ATOM 612 C LYS A 40 -8.002 9.810 1.469 1.00 0.00 C ATOM 613 O LYS A 40 -8.488 8.741 1.763 1.00 0.00 O ATOM 614 CB LYS A 40 -7.974 11.247 -0.565 1.00 0.00 C ATOM 615 CG LYS A 40 -7.550 10.002 -1.349 1.00 0.00 C ATOM 616 CD LYS A 40 -6.082 10.135 -1.762 1.00 0.00 C ATOM 617 CE LYS A 40 -5.920 11.337 -2.694 1.00 0.00 C ATOM 618 NZ LYS A 40 -5.376 12.492 -1.925 1.00 0.00 N ATOM 0 H LYS A 40 -9.328 11.736 2.506 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.745 10.429 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.563 11.906 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.093 11.809 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.688 9.110 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.178 9.884 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.455 10.259 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.751 9.226 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.250 11.086 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.881 11.601 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.616 12.945 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.135 13.181 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.997 12.157 -1.016 1.00 0.00 H new ATOM 632 N TYR A 41 -6.785 10.164 1.820 1.00 0.00 N ATOM 633 CA TYR A 41 -5.881 9.273 2.623 1.00 0.00 C ATOM 634 C TYR A 41 -4.880 8.609 1.686 1.00 0.00 C ATOM 635 O TYR A 41 -3.701 8.894 1.721 1.00 0.00 O ATOM 636 CB TYR A 41 -6.646 8.172 3.364 1.00 0.00 C ATOM 637 CG TYR A 41 -7.591 8.772 4.378 1.00 0.00 C ATOM 638 CD1 TYR A 41 -7.475 10.115 4.756 1.00 0.00 C ATOM 639 CD2 TYR A 41 -8.577 7.968 4.950 1.00 0.00 C ATOM 640 CE1 TYR A 41 -8.352 10.648 5.708 1.00 0.00 C ATOM 641 CE2 TYR A 41 -9.454 8.499 5.899 1.00 0.00 C ATOM 642 CZ TYR A 41 -9.341 9.839 6.279 1.00 0.00 C ATOM 643 OH TYR A 41 -10.205 10.363 7.216 1.00 0.00 O ATOM 0 H TYR A 41 -6.369 11.062 1.575 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.386 9.899 3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.206 7.567 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.943 7.506 3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.711 10.738 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.663 6.932 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.265 11.684 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.218 7.875 6.338 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.692 10.824 7.913 1.00 0.00 H new ATOM 653 N SER A 42 -5.374 7.702 0.871 1.00 0.00 N ATOM 654 CA SER A 42 -4.520 6.942 -0.093 1.00 0.00 C ATOM 655 C SER A 42 -4.297 5.542 0.477 1.00 0.00 C ATOM 656 O SER A 42 -3.515 5.364 1.377 1.00 0.00 O ATOM 657 CB SER A 42 -3.172 7.635 -0.313 1.00 0.00 C ATOM 658 OG SER A 42 -2.292 7.299 0.752 1.00 0.00 O ATOM 0 H SER A 42 -6.363 7.453 0.837 1.00 0.00 H new ATOM 0 HA SER A 42 -5.023 6.893 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.743 7.326 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.309 8.715 -0.360 1.00 0.00 H new ATOM 0 HG SER A 42 -2.411 7.936 1.488 1.00 0.00 H new ATOM 664 N LYS A 43 -4.990 4.560 -0.035 1.00 0.00 N ATOM 665 CA LYS A 43 -4.846 3.165 0.458 1.00 0.00 C ATOM 666 C LYS A 43 -5.031 2.250 -0.754 1.00 0.00 C ATOM 667 O LYS A 43 -6.061 2.269 -1.347 1.00 0.00 O ATOM 668 CB LYS A 43 -5.939 2.886 1.506 1.00 0.00 C ATOM 669 CG LYS A 43 -7.288 2.649 0.819 1.00 0.00 C ATOM 670 CD LYS A 43 -8.425 2.980 1.787 1.00 0.00 C ATOM 671 CE LYS A 43 -9.759 2.558 1.168 1.00 0.00 C ATOM 672 NZ LYS A 43 -10.048 3.415 -0.017 1.00 0.00 N ATOM 0 H LYS A 43 -5.665 4.672 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.874 2.998 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.668 2.013 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.017 3.728 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.366 3.269 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.364 1.611 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.272 2.464 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.434 4.048 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.720 1.510 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.559 2.652 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.034 3.273 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.903 4.414 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.409 3.157 -0.796 1.00 0.00 H new ATOM 686 N LYS A 44 -4.044 1.480 -1.149 1.00 0.00 N ATOM 687 CA LYS A 44 -4.197 0.631 -2.390 1.00 0.00 C ATOM 688 C LYS A 44 -2.824 0.344 -2.970 1.00 0.00 C ATOM 689 O LYS A 44 -2.427 0.955 -3.944 1.00 0.00 O ATOM 690 CB LYS A 44 -4.917 1.457 -3.440 1.00 0.00 C ATOM 691 CG LYS A 44 -4.280 2.855 -3.512 1.00 0.00 C ATOM 692 CD LYS A 44 -5.321 3.864 -4.000 1.00 0.00 C ATOM 693 CE LYS A 44 -4.701 4.763 -5.071 1.00 0.00 C ATOM 694 NZ LYS A 44 -4.794 4.091 -6.397 1.00 0.00 N ATOM 0 H LYS A 44 -3.144 1.398 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.729 -0.286 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.855 0.966 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.975 1.539 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.906 3.147 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.425 2.843 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.187 3.341 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.676 4.468 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.218 5.722 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.659 4.970 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.373 4.702 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.282 3.187 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.793 3.915 -6.628 1.00 0.00 H new ATOM 708 N TYR A 45 -2.050 -0.499 -2.348 1.00 0.00 N ATOM 709 CA TYR A 45 -0.658 -0.690 -2.835 1.00 0.00 C ATOM 710 C TYR A 45 -0.370 -2.095 -3.375 1.00 0.00 C ATOM 711 O TYR A 45 -1.215 -2.981 -3.380 1.00 0.00 O ATOM 712 CB TYR A 45 0.266 -0.407 -1.649 1.00 0.00 C ATOM 713 CG TYR A 45 -0.227 0.795 -0.900 1.00 0.00 C ATOM 714 CD1 TYR A 45 -0.962 1.752 -1.566 1.00 0.00 C ATOM 715 CD2 TYR A 45 0.046 0.961 0.456 1.00 0.00 C ATOM 716 CE1 TYR A 45 -1.438 2.861 -0.911 1.00 0.00 C ATOM 717 CE2 TYR A 45 -0.426 2.091 1.109 1.00 0.00 C ATOM 718 CZ TYR A 45 -1.176 3.037 0.433 1.00 0.00 C ATOM 719 OH TYR A 45 -1.615 4.165 1.078 1.00 0.00 O ATOM 0 H TYR A 45 -2.315 -1.056 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.497 -0.014 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.299 -1.272 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.283 -0.236 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.167 1.628 -2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.618 0.219 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.018 3.597 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.205 2.234 2.157 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.482 3.985 1.499 1.00 0.00 H new ATOM 729 N LYS A 46 0.872 -2.276 -3.796 1.00 0.00 N ATOM 730 CA LYS A 46 1.361 -3.590 -4.346 1.00 0.00 C ATOM 731 C LYS A 46 2.530 -4.126 -3.493 1.00 0.00 C ATOM 732 O LYS A 46 3.010 -3.447 -2.609 1.00 0.00 O ATOM 733 CB LYS A 46 1.842 -3.393 -5.788 1.00 0.00 C ATOM 734 CG LYS A 46 0.662 -3.000 -6.679 1.00 0.00 C ATOM 735 CD LYS A 46 -0.128 -4.253 -7.066 1.00 0.00 C ATOM 736 CE LYS A 46 -0.541 -4.165 -8.539 1.00 0.00 C ATOM 737 NZ LYS A 46 -2.019 -4.329 -8.653 1.00 0.00 N ATOM 0 H LYS A 46 1.583 -1.545 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 46 0.541 -4.308 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.609 -2.619 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.298 -4.311 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.015 -2.297 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.022 -2.494 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.479 -5.143 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.012 -4.347 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.238 -3.204 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.033 -4.937 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.299 -4.269 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.296 -5.256 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.494 -3.577 -8.115 1.00 0.00 H new ATOM 751 N ALA A 47 2.999 -5.339 -3.766 1.00 0.00 N ATOM 752 CA ALA A 47 4.133 -5.926 -2.979 1.00 0.00 C ATOM 753 C ALA A 47 4.029 -7.461 -2.986 1.00 0.00 C ATOM 754 O ALA A 47 2.993 -8.037 -2.696 1.00 0.00 O ATOM 755 CB ALA A 47 4.076 -5.435 -1.529 1.00 0.00 C ATOM 0 H ALA A 47 2.637 -5.942 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 47 5.073 -5.614 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.903 -5.867 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.152 -4.348 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.132 -5.741 -1.078 1.00 0.00 H new ATOM 761 N HIS A 48 5.099 -8.133 -3.316 1.00 0.00 N ATOM 762 CA HIS A 48 5.064 -9.622 -3.342 1.00 0.00 C ATOM 763 C HIS A 48 5.603 -10.171 -2.019 1.00 0.00 C ATOM 764 O HIS A 48 6.727 -9.907 -1.640 1.00 0.00 O ATOM 765 CB HIS A 48 5.935 -10.128 -4.496 1.00 0.00 C ATOM 766 CG HIS A 48 6.160 -11.610 -4.349 1.00 0.00 C ATOM 767 ND1 HIS A 48 7.195 -12.269 -4.995 1.00 0.00 N ATOM 768 CD2 HIS A 48 5.492 -12.572 -3.633 1.00 0.00 C ATOM 769 CE1 HIS A 48 7.120 -13.570 -4.658 1.00 0.00 C ATOM 770 NE2 HIS A 48 6.100 -13.808 -3.830 1.00 0.00 N ATOM 0 H HIS A 48 5.995 -7.715 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 48 4.037 -9.960 -3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.451 -9.917 -5.450 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.891 -9.604 -4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.626 -12.396 -3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.801 -14.329 -5.014 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.825 -14.704 -3.428 1.00 0.00 H new ATOM 778 N ASP A 49 4.813 -10.936 -1.316 1.00 0.00 N ATOM 779 CA ASP A 49 5.286 -11.505 -0.022 1.00 0.00 C ATOM 780 C ASP A 49 5.787 -12.934 -0.252 1.00 0.00 C ATOM 781 O ASP A 49 5.014 -13.851 -0.446 1.00 0.00 O ATOM 782 CB ASP A 49 4.132 -11.516 0.986 1.00 0.00 C ATOM 783 CG ASP A 49 4.493 -12.409 2.175 1.00 0.00 C ATOM 784 OD1 ASP A 49 5.575 -12.240 2.710 1.00 0.00 O ATOM 785 OD2 ASP A 49 3.679 -13.247 2.529 1.00 0.00 O ATOM 0 H ASP A 49 3.862 -11.191 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 49 6.099 -10.895 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.927 -10.502 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.223 -11.881 0.508 1.00 0.00 H new ATOM 790 N GLU A 50 7.078 -13.128 -0.234 1.00 0.00 N ATOM 791 CA GLU A 50 7.630 -14.494 -0.457 1.00 0.00 C ATOM 792 C GLU A 50 7.679 -15.254 0.871 1.00 0.00 C ATOM 793 O GLU A 50 8.040 -14.704 1.891 1.00 0.00 O ATOM 794 CB GLU A 50 9.044 -14.382 -1.032 1.00 0.00 C ATOM 795 CG GLU A 50 9.052 -13.370 -2.180 1.00 0.00 C ATOM 796 CD GLU A 50 10.290 -12.478 -2.068 1.00 0.00 C ATOM 797 OE1 GLU A 50 10.458 -11.860 -1.029 1.00 0.00 O ATOM 798 OE2 GLU A 50 11.047 -12.426 -3.024 1.00 0.00 O ATOM 0 H GLU A 50 7.774 -12.399 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 50 6.991 -15.032 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.740 -14.070 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.380 -15.355 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.052 -13.891 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.148 -12.761 -2.148 1.00 0.00 H new ATOM 805 N HIS A 51 7.313 -16.513 0.851 1.00 0.00 N ATOM 806 CA HIS A 51 7.327 -17.351 2.092 1.00 0.00 C ATOM 807 C HIS A 51 5.984 -17.231 2.813 1.00 0.00 C ATOM 808 O HIS A 51 5.465 -16.150 3.001 1.00 0.00 O ATOM 809 CB HIS A 51 8.451 -16.915 3.032 1.00 0.00 C ATOM 810 CG HIS A 51 9.724 -16.745 2.250 1.00 0.00 C ATOM 811 ND1 HIS A 51 9.944 -17.400 1.048 1.00 0.00 N ATOM 812 CD2 HIS A 51 10.857 -16.007 2.486 1.00 0.00 C ATOM 813 CE1 HIS A 51 11.165 -17.046 0.609 1.00 0.00 C ATOM 814 NE2 HIS A 51 11.766 -16.198 1.450 1.00 0.00 N ATOM 0 H HIS A 51 7.000 -17.003 0.013 1.00 0.00 H new ATOM 0 HA HIS A 51 7.498 -18.388 1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.186 -15.979 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.591 -17.658 3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.019 -15.374 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.606 -17.403 -0.310 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.692 -15.781 1.353 1.00 0.00 H new ATOM 822 N ASN A 52 5.421 -18.346 3.196 1.00 0.00 N ATOM 823 CA ASN A 52 4.105 -18.350 3.893 1.00 0.00 C ATOM 824 C ASN A 52 3.006 -18.309 2.839 1.00 0.00 C ATOM 825 O ASN A 52 1.837 -18.186 3.148 1.00 0.00 O ATOM 826 CB ASN A 52 3.991 -17.133 4.818 1.00 0.00 C ATOM 827 CG ASN A 52 5.299 -16.949 5.592 1.00 0.00 C ATOM 828 OD1 ASN A 52 6.259 -17.658 5.363 1.00 0.00 O ATOM 829 ND2 ASN A 52 5.381 -16.022 6.507 1.00 0.00 N ATOM 0 H ASN A 52 5.827 -19.271 3.052 1.00 0.00 H new ATOM 0 HA ASN A 52 4.009 -19.250 4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.774 -16.239 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.162 -17.268 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.249 -15.894 7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.577 -15.425 6.702 1.00 0.00 H new ATOM 836 N GLU A 53 3.378 -18.389 1.587 1.00 0.00 N ATOM 837 CA GLU A 53 2.360 -18.331 0.509 1.00 0.00 C ATOM 838 C GLU A 53 1.620 -17.001 0.622 1.00 0.00 C ATOM 839 O GLU A 53 0.588 -16.799 0.013 1.00 0.00 O ATOM 840 CB GLU A 53 1.372 -19.488 0.670 1.00 0.00 C ATOM 841 CG GLU A 53 2.137 -20.763 1.033 1.00 0.00 C ATOM 842 CD GLU A 53 3.096 -21.127 -0.104 1.00 0.00 C ATOM 843 OE1 GLU A 53 2.656 -21.775 -1.040 1.00 0.00 O ATOM 844 OE2 GLU A 53 4.255 -20.754 -0.019 1.00 0.00 O ATOM 0 H GLU A 53 4.342 -18.492 1.270 1.00 0.00 H new ATOM 0 HA GLU A 53 2.839 -18.413 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.644 -19.254 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.815 -19.636 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.694 -20.614 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.438 -21.581 1.209 1.00 0.00 H new ATOM 851 N ALA A 54 2.142 -16.090 1.405 1.00 0.00 N ATOM 852 CA ALA A 54 1.462 -14.771 1.565 1.00 0.00 C ATOM 853 C ALA A 54 -0.047 -15.000 1.712 1.00 0.00 C ATOM 854 O ALA A 54 -0.528 -15.286 2.789 1.00 0.00 O ATOM 855 CB ALA A 54 1.746 -13.899 0.338 1.00 0.00 C ATOM 0 H ALA A 54 3.005 -16.203 1.937 1.00 0.00 H new ATOM 0 HA ALA A 54 1.837 -14.264 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.250 -12.935 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.821 -13.745 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.370 -14.396 -0.556 1.00 0.00 H new ATOM 861 N LYS A 55 -0.788 -14.886 0.632 1.00 0.00 N ATOM 862 CA LYS A 55 -2.269 -15.110 0.678 1.00 0.00 C ATOM 863 C LYS A 55 -2.996 -13.807 1.023 1.00 0.00 C ATOM 864 O LYS A 55 -4.066 -13.533 0.515 1.00 0.00 O ATOM 865 CB LYS A 55 -2.622 -16.190 1.710 1.00 0.00 C ATOM 866 CG LYS A 55 -1.679 -17.386 1.542 1.00 0.00 C ATOM 867 CD LYS A 55 -2.418 -18.676 1.903 1.00 0.00 C ATOM 868 CE LYS A 55 -1.781 -19.854 1.162 1.00 0.00 C ATOM 869 NZ LYS A 55 -2.810 -20.530 0.323 1.00 0.00 N ATOM 0 H LYS A 55 -0.424 -14.644 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.591 -15.447 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.537 -15.786 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.656 -16.508 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.319 -17.437 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.804 -17.265 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.375 -18.843 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.471 -18.591 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.960 -19.503 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.358 -20.560 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.377 -21.330 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.579 -20.878 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.194 -19.854 -0.368 1.00 0.00 H new ATOM 883 N VAL A 56 -2.441 -13.006 1.892 1.00 0.00 N ATOM 884 CA VAL A 56 -3.128 -11.734 2.270 1.00 0.00 C ATOM 885 C VAL A 56 -2.136 -10.689 2.698 1.00 0.00 C ATOM 886 O VAL A 56 -2.530 -9.697 3.258 1.00 0.00 O ATOM 887 CB VAL A 56 -4.115 -12.002 3.406 1.00 0.00 C ATOM 888 CG1 VAL A 56 -5.390 -12.630 2.839 1.00 0.00 C ATOM 889 CG2 VAL A 56 -3.484 -12.963 4.418 1.00 0.00 C ATOM 0 H VAL A 56 -1.548 -13.174 2.355 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.662 -11.361 1.396 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.360 -11.062 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.093 -12.821 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.842 -11.948 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.144 -13.569 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.189 -13.153 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.238 -13.902 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.576 -12.518 4.825 1.00 0.00 H new ATOM 899 N GLY A 57 -0.876 -10.852 2.403 1.00 0.00 N ATOM 900 CA GLY A 57 0.074 -9.786 2.785 1.00 0.00 C ATOM 901 C GLY A 57 0.017 -9.568 4.295 1.00 0.00 C ATOM 902 O GLY A 57 0.769 -10.138 5.055 1.00 0.00 O ATOM 0 H GLY A 57 -0.475 -11.659 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.085 -10.061 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.173 -8.861 2.264 1.00 0.00 H new ATOM 906 N ASP A 58 -0.911 -8.732 4.680 1.00 0.00 N ATOM 907 CA ASP A 58 -1.182 -8.369 6.123 1.00 0.00 C ATOM 908 C ASP A 58 -0.810 -6.895 6.369 1.00 0.00 C ATOM 909 O ASP A 58 -0.958 -6.062 5.492 1.00 0.00 O ATOM 910 CB ASP A 58 -0.413 -9.286 7.086 1.00 0.00 C ATOM 911 CG ASP A 58 -1.129 -9.326 8.440 1.00 0.00 C ATOM 912 OD1 ASP A 58 -2.210 -8.766 8.534 1.00 0.00 O ATOM 913 OD2 ASP A 58 -0.585 -9.916 9.360 1.00 0.00 O ATOM 0 H ASP A 58 -1.530 -8.256 4.023 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.246 -8.508 6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.344 -10.291 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.607 -8.923 7.213 1.00 0.00 H new ATOM 918 N ILE A 59 -0.338 -6.561 7.553 1.00 0.00 N ATOM 919 CA ILE A 59 0.042 -5.141 7.840 1.00 0.00 C ATOM 920 C ILE A 59 1.441 -4.915 7.271 1.00 0.00 C ATOM 921 O ILE A 59 2.446 -5.202 7.902 1.00 0.00 O ATOM 922 CB ILE A 59 0.034 -4.887 9.355 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.696 -3.539 9.650 1.00 0.00 C ATOM 924 CG2 ILE A 59 0.799 -5.997 10.079 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.070 -2.922 10.903 1.00 0.00 C ATOM 0 H ILE A 59 -0.201 -7.210 8.328 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.670 -4.454 7.383 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.997 -4.876 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.768 -3.673 9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.571 -2.868 8.801 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.787 -5.807 11.152 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.326 -6.958 9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.830 -6.018 9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.543 -1.962 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.997 -2.773 10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.218 -3.591 11.751 1.00 0.00 H new ATOM 937 N VAL A 60 1.517 -4.469 6.051 1.00 0.00 N ATOM 938 CA VAL A 60 2.868 -4.313 5.411 1.00 0.00 C ATOM 939 C VAL A 60 3.346 -2.855 5.351 1.00 0.00 C ATOM 940 O VAL A 60 3.272 -2.142 6.302 1.00 0.00 O ATOM 941 CB VAL A 60 2.788 -4.915 4.013 1.00 0.00 C ATOM 942 CG1 VAL A 60 2.130 -3.934 3.031 1.00 0.00 C ATOM 943 CG2 VAL A 60 4.200 -5.239 3.527 1.00 0.00 C ATOM 0 H VAL A 60 0.721 -4.207 5.470 1.00 0.00 H new ATOM 0 HA VAL A 60 3.606 -4.833 6.022 1.00 0.00 H new ATOM 0 HB VAL A 60 2.183 -5.821 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.084 -4.386 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.121 -3.701 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.717 -3.017 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.151 -5.670 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.794 -4.325 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.664 -5.953 4.207 1.00 0.00 H new ATOM 953 N LYS A 61 3.867 -2.446 4.234 1.00 0.00 N ATOM 954 CA LYS A 61 4.467 -1.085 4.061 1.00 0.00 C ATOM 955 C LYS A 61 5.177 -1.153 2.679 1.00 0.00 C ATOM 956 O LYS A 61 5.193 -2.225 2.108 1.00 0.00 O ATOM 957 CB LYS A 61 5.556 -0.914 5.176 1.00 0.00 C ATOM 958 CG LYS A 61 5.002 -0.397 6.525 1.00 0.00 C ATOM 959 CD LYS A 61 5.588 0.975 6.860 1.00 0.00 C ATOM 960 CE LYS A 61 5.893 1.050 8.357 1.00 0.00 C ATOM 961 NZ LYS A 61 4.613 1.142 9.114 1.00 0.00 N ATOM 0 H LYS A 61 3.906 -3.021 3.393 1.00 0.00 H new ATOM 0 HA LYS A 61 3.744 -0.272 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.046 -1.874 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.320 -0.223 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.915 -0.332 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.244 -1.105 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.498 1.144 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.885 1.760 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.452 0.169 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.518 1.917 8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.816 1.210 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.089 1.986 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.040 0.294 8.931 1.00 0.00 H new ATOM 975 N ILE A 62 5.683 -0.063 2.047 1.00 0.00 N ATOM 976 CA ILE A 62 6.204 -0.256 0.616 1.00 0.00 C ATOM 977 C ILE A 62 6.332 1.038 -0.255 1.00 0.00 C ATOM 978 O ILE A 62 6.244 0.969 -1.444 1.00 0.00 O ATOM 979 CB ILE A 62 5.138 -1.178 -0.118 1.00 0.00 C ATOM 980 CG1 ILE A 62 5.008 -0.921 -1.658 1.00 0.00 C ATOM 981 CG2 ILE A 62 3.750 -0.952 0.501 1.00 0.00 C ATOM 982 CD1 ILE A 62 4.000 0.241 -1.965 1.00 0.00 C ATOM 0 H ILE A 62 5.752 0.879 2.433 1.00 0.00 H new ATOM 0 HA ILE A 62 7.212 -0.660 0.710 1.00 0.00 H new ATOM 0 HB ILE A 62 5.499 -2.198 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.986 -0.674 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.675 -1.833 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.019 -1.585 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.779 -1.204 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.466 0.094 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.935 0.391 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.016 -0.019 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.348 1.159 -1.491 1.00 0.00 H new ATOM 994 N MET A 63 6.692 2.188 0.243 1.00 0.00 N ATOM 995 CA MET A 63 6.980 3.303 -0.722 1.00 0.00 C ATOM 996 C MET A 63 5.776 4.147 -1.129 1.00 0.00 C ATOM 997 O MET A 63 4.907 4.432 -0.360 1.00 0.00 O ATOM 998 CB MET A 63 7.692 2.770 -1.981 1.00 0.00 C ATOM 999 CG MET A 63 8.592 1.543 -1.733 1.00 0.00 C ATOM 1000 SD MET A 63 9.946 1.543 -2.939 1.00 0.00 S ATOM 1001 CE MET A 63 9.766 -0.173 -3.484 1.00 0.00 C ATOM 0 H MET A 63 6.798 2.407 1.234 1.00 0.00 H new ATOM 0 HA MET A 63 7.633 3.976 -0.167 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.940 2.509 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.298 3.570 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.992 1.569 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.010 0.626 -1.822 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.516 -0.394 -4.243 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.902 -0.841 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.771 -0.319 -3.904 1.00 0.00 H new ATOM 1011 N GLU A 64 5.785 4.581 -2.378 1.00 0.00 N ATOM 1012 CA GLU A 64 4.692 5.424 -2.920 1.00 0.00 C ATOM 1013 C GLU A 64 4.744 6.849 -2.361 1.00 0.00 C ATOM 1014 O GLU A 64 4.051 7.195 -1.426 1.00 0.00 O ATOM 1015 CB GLU A 64 3.368 4.771 -2.598 1.00 0.00 C ATOM 1016 CG GLU A 64 2.681 4.376 -3.906 1.00 0.00 C ATOM 1017 CD GLU A 64 1.537 5.346 -4.206 1.00 0.00 C ATOM 1018 OE1 GLU A 64 1.605 6.473 -3.742 1.00 0.00 O ATOM 1019 OE2 GLU A 64 0.611 4.946 -4.892 1.00 0.00 O ATOM 0 H GLU A 64 6.527 4.373 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 64 4.812 5.504 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.523 3.892 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.737 5.457 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.402 4.386 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.297 3.359 -3.833 1.00 0.00 H new ATOM 1026 N THR A 65 5.551 7.677 -2.968 1.00 0.00 N ATOM 1027 CA THR A 65 5.673 9.100 -2.546 1.00 0.00 C ATOM 1028 C THR A 65 4.799 9.963 -3.466 1.00 0.00 C ATOM 1029 O THR A 65 3.761 9.533 -3.927 1.00 0.00 O ATOM 1030 CB THR A 65 7.133 9.538 -2.669 1.00 0.00 C ATOM 1031 OG1 THR A 65 7.391 9.953 -4.003 1.00 0.00 O ATOM 1032 CG2 THR A 65 8.045 8.363 -2.309 1.00 0.00 C ATOM 0 H THR A 65 6.144 7.419 -3.757 1.00 0.00 H new ATOM 0 HA THR A 65 5.347 9.215 -1.512 1.00 0.00 H new ATOM 0 HB THR A 65 7.326 10.368 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.326 10.235 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.087 8.671 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.844 8.047 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.855 7.533 -2.989 1.00 0.00 H new ATOM 1040 N ARG A 66 5.211 11.171 -3.750 1.00 0.00 N ATOM 1041 CA ARG A 66 4.402 12.040 -4.654 1.00 0.00 C ATOM 1042 C ARG A 66 5.260 12.451 -5.856 1.00 0.00 C ATOM 1043 O ARG A 66 6.201 13.204 -5.705 1.00 0.00 O ATOM 1044 CB ARG A 66 3.957 13.298 -3.906 1.00 0.00 C ATOM 1045 CG ARG A 66 2.794 12.952 -2.977 1.00 0.00 C ATOM 1046 CD ARG A 66 1.615 12.445 -3.809 1.00 0.00 C ATOM 1047 NE ARG A 66 1.328 11.027 -3.453 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.203 10.474 -3.821 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.663 11.153 -4.523 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -0.050 9.238 -3.493 1.00 0.00 N ATOM 0 H ARG A 66 6.070 11.592 -3.396 1.00 0.00 H new ATOM 0 HA ARG A 66 3.523 11.490 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.788 13.705 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.653 14.068 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.101 12.191 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.498 13.830 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.735 13.062 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.845 12.525 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 66 2.011 10.487 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.462 12.118 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.540 10.719 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.630 8.705 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.928 8.804 -3.779 1.00 0.00 H new ATOM 1064 N PRO A 67 4.915 11.951 -7.017 1.00 0.00 N ATOM 1065 CA PRO A 67 5.658 12.268 -8.249 1.00 0.00 C ATOM 1066 C PRO A 67 5.689 13.782 -8.463 1.00 0.00 C ATOM 1067 O PRO A 67 5.519 14.551 -7.539 1.00 0.00 O ATOM 1068 CB PRO A 67 4.879 11.569 -9.371 1.00 0.00 C ATOM 1069 CG PRO A 67 3.721 10.775 -8.715 1.00 0.00 C ATOM 1070 CD PRO A 67 3.769 11.043 -7.202 1.00 0.00 C ATOM 0 HA PRO A 67 6.695 11.934 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.489 12.300 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.532 10.900 -9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.762 11.086 -9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.825 9.709 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.843 11.498 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.902 10.118 -6.640 1.00 0.00 H new ATOM 1078 N LEU A 68 5.909 14.218 -9.672 1.00 0.00 N ATOM 1079 CA LEU A 68 5.953 15.684 -9.930 1.00 0.00 C ATOM 1080 C LEU A 68 7.073 16.313 -9.096 1.00 0.00 C ATOM 1081 O LEU A 68 7.680 15.663 -8.268 1.00 0.00 O ATOM 1082 CB LEU A 68 4.611 16.302 -9.539 1.00 0.00 C ATOM 1083 CG LEU A 68 4.166 17.280 -10.626 1.00 0.00 C ATOM 1084 CD1 LEU A 68 2.780 16.877 -11.133 1.00 0.00 C ATOM 1085 CD2 LEU A 68 4.107 18.694 -10.043 1.00 0.00 C ATOM 0 H LEU A 68 6.060 13.626 -10.489 1.00 0.00 H new ATOM 0 HA LEU A 68 6.144 15.868 -10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.862 15.520 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.701 16.819 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 68 4.876 17.258 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.460 17.573 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.822 15.869 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.069 16.902 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.790 19.394 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.395 18.718 -9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.094 18.979 -9.679 1.00 0.00 H new ATOM 1097 N SER A 69 7.353 17.569 -9.310 1.00 0.00 N ATOM 1098 CA SER A 69 8.437 18.232 -8.531 1.00 0.00 C ATOM 1099 C SER A 69 9.762 17.516 -8.803 1.00 0.00 C ATOM 1100 O SER A 69 9.930 16.868 -9.817 1.00 0.00 O ATOM 1101 CB SER A 69 8.112 18.160 -7.039 1.00 0.00 C ATOM 1102 OG SER A 69 8.074 19.477 -6.500 1.00 0.00 O ATOM 0 H SER A 69 6.879 18.164 -9.989 1.00 0.00 H new ATOM 0 HA SER A 69 8.518 19.277 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.153 17.665 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.863 17.564 -6.520 1.00 0.00 H new ATOM 0 HG SER A 69 7.864 19.433 -5.544 1.00 0.00 H new ATOM 1108 N ALA A 70 10.706 17.625 -7.908 1.00 0.00 N ATOM 1109 CA ALA A 70 12.016 16.947 -8.124 1.00 0.00 C ATOM 1110 C ALA A 70 12.263 15.940 -6.997 1.00 0.00 C ATOM 1111 O ALA A 70 12.986 16.209 -6.059 1.00 0.00 O ATOM 1112 CB ALA A 70 13.136 17.989 -8.133 1.00 0.00 C ATOM 0 H ALA A 70 10.627 18.153 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 70 12.000 16.424 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.093 17.493 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.961 18.704 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.153 18.514 -7.178 1.00 0.00 H new ATOM 1118 N THR A 71 11.664 14.782 -7.079 1.00 0.00 N ATOM 1119 CA THR A 71 11.866 13.762 -6.009 1.00 0.00 C ATOM 1120 C THR A 71 11.733 12.357 -6.607 1.00 0.00 C ATOM 1121 O THR A 71 11.347 12.193 -7.747 1.00 0.00 O ATOM 1122 CB THR A 71 10.816 13.955 -4.909 1.00 0.00 C ATOM 1123 OG1 THR A 71 10.526 12.700 -4.308 1.00 0.00 O ATOM 1124 CG2 THR A 71 9.536 14.542 -5.510 1.00 0.00 C ATOM 0 H THR A 71 11.045 14.499 -7.839 1.00 0.00 H new ATOM 0 HA THR A 71 12.862 13.880 -5.581 1.00 0.00 H new ATOM 0 HB THR A 71 11.205 14.640 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.620 12.421 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.793 14.677 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.758 15.506 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.144 13.862 -6.266 1.00 0.00 H new ATOM 1132 N LYS A 72 12.054 11.345 -5.846 1.00 0.00 N ATOM 1133 CA LYS A 72 11.951 9.951 -6.372 1.00 0.00 C ATOM 1134 C LYS A 72 10.498 9.645 -6.746 1.00 0.00 C ATOM 1135 O LYS A 72 9.795 10.487 -7.269 1.00 0.00 O ATOM 1136 CB LYS A 72 12.428 8.963 -5.306 1.00 0.00 C ATOM 1137 CG LYS A 72 12.961 7.701 -5.986 1.00 0.00 C ATOM 1138 CD LYS A 72 12.770 6.500 -5.058 1.00 0.00 C ATOM 1139 CE LYS A 72 13.011 5.206 -5.840 1.00 0.00 C ATOM 1140 NZ LYS A 72 14.465 5.067 -6.136 1.00 0.00 N ATOM 0 H LYS A 72 12.383 11.422 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 72 12.577 9.854 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.208 9.418 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.607 8.709 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.437 7.534 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.017 7.823 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.461 6.563 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.762 6.504 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.663 4.350 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.440 5.218 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.633 4.172 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.775 5.861 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.002 5.071 -5.246 1.00 0.00 H new ATOM 1154 N ARG A 73 10.038 8.444 -6.498 1.00 0.00 N ATOM 1155 CA ARG A 73 8.634 8.107 -6.864 1.00 0.00 C ATOM 1156 C ARG A 73 7.985 7.227 -5.789 1.00 0.00 C ATOM 1157 O ARG A 73 6.798 7.305 -5.567 1.00 0.00 O ATOM 1158 CB ARG A 73 8.633 7.356 -8.194 1.00 0.00 C ATOM 1159 CG ARG A 73 7.249 7.461 -8.832 1.00 0.00 C ATOM 1160 CD ARG A 73 7.160 6.502 -10.017 1.00 0.00 C ATOM 1161 NE ARG A 73 6.805 7.267 -11.244 1.00 0.00 N ATOM 1162 CZ ARG A 73 6.958 6.726 -12.422 1.00 0.00 C ATOM 1163 NH1 ARG A 73 7.426 5.511 -12.533 1.00 0.00 N ATOM 1164 NH2 ARG A 73 6.645 7.404 -13.494 1.00 0.00 N ATOM 0 H ARG A 73 10.570 7.691 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 73 8.063 9.032 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.386 7.774 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.894 6.310 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.480 7.221 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.066 8.483 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.112 5.989 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.410 5.735 -9.823 1.00 0.00 H new ATOM 0 HE ARG A 73 6.441 8.217 -11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.673 4.981 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.544 5.092 -13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.282 8.353 -13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.764 6.984 -14.416 1.00 0.00 H new ATOM 1178 N PHE A 74 8.748 6.387 -5.138 1.00 0.00 N ATOM 1179 CA PHE A 74 8.180 5.483 -4.085 1.00 0.00 C ATOM 1180 C PHE A 74 9.119 5.523 -2.855 1.00 0.00 C ATOM 1181 O PHE A 74 10.321 5.605 -2.997 1.00 0.00 O ATOM 1182 CB PHE A 74 8.148 4.040 -4.650 1.00 0.00 C ATOM 1183 CG PHE A 74 6.766 3.589 -5.129 1.00 0.00 C ATOM 1184 CD1 PHE A 74 5.994 4.434 -5.925 1.00 0.00 C ATOM 1185 CD2 PHE A 74 6.279 2.295 -4.820 1.00 0.00 C ATOM 1186 CE1 PHE A 74 4.750 4.015 -6.407 1.00 0.00 C ATOM 1187 CE2 PHE A 74 5.036 1.879 -5.308 1.00 0.00 C ATOM 1188 CZ PHE A 74 4.272 2.738 -6.101 1.00 0.00 C ATOM 0 H PHE A 74 9.751 6.286 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 74 7.176 5.798 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.850 3.971 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.497 3.352 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.360 5.420 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.868 1.629 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.157 4.680 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.667 0.892 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.312 2.416 -6.477 1.00 0.00 H new ATOM 1198 N ARG A 75 8.591 5.415 -1.652 1.00 0.00 N ATOM 1199 CA ARG A 75 9.486 5.394 -0.443 1.00 0.00 C ATOM 1200 C ARG A 75 9.713 3.926 -0.038 1.00 0.00 C ATOM 1201 O ARG A 75 10.273 3.182 -0.785 1.00 0.00 O ATOM 1202 CB ARG A 75 8.841 6.155 0.709 1.00 0.00 C ATOM 1203 CG ARG A 75 9.840 6.236 1.866 1.00 0.00 C ATOM 1204 CD ARG A 75 10.907 7.285 1.542 1.00 0.00 C ATOM 1205 NE ARG A 75 12.193 6.606 1.217 1.00 0.00 N ATOM 1206 CZ ARG A 75 13.153 7.264 0.622 1.00 0.00 C ATOM 1207 NH1 ARG A 75 12.992 8.521 0.306 1.00 0.00 N ATOM 1208 NH2 ARG A 75 14.278 6.663 0.344 1.00 0.00 N ATOM 0 H ARG A 75 7.593 5.341 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 75 10.436 5.874 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.554 7.156 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.930 5.651 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.324 6.499 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.306 5.264 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.585 7.898 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.042 7.955 2.391 1.00 0.00 H new ATOM 0 HE ARG A 75 12.325 5.624 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.114 8.993 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.744 9.031 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.407 5.682 0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.028 7.175 -0.120 1.00 0.00 H new ATOM 1222 N LEU A 76 9.204 3.473 1.093 1.00 0.00 N ATOM 1223 CA LEU A 76 9.378 2.021 1.447 1.00 0.00 C ATOM 1224 C LEU A 76 9.203 1.758 2.936 1.00 0.00 C ATOM 1225 O LEU A 76 8.511 2.473 3.625 1.00 0.00 O ATOM 1226 CB LEU A 76 10.795 1.529 1.075 1.00 0.00 C ATOM 1227 CG LEU A 76 10.761 0.176 0.324 1.00 0.00 C ATOM 1228 CD1 LEU A 76 11.913 -0.694 0.822 1.00 0.00 C ATOM 1229 CD2 LEU A 76 9.449 -0.591 0.566 1.00 0.00 C ATOM 0 H LEU A 76 8.687 4.033 1.771 1.00 0.00 H new ATOM 0 HA LEU A 76 8.610 1.490 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.287 2.277 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.392 1.426 1.981 1.00 0.00 H new ATOM 0 HG LEU A 76 10.845 0.389 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.899 -1.650 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.860 -0.189 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.804 -0.864 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.472 -1.533 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.337 -0.793 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.608 0.009 0.220 1.00 0.00 H new ATOM 1241 N VAL A 77 9.797 0.665 3.376 1.00 0.00 N ATOM 1242 CA VAL A 77 9.712 0.167 4.775 1.00 0.00 C ATOM 1243 C VAL A 77 9.261 -1.271 4.657 1.00 0.00 C ATOM 1244 O VAL A 77 9.906 -2.183 5.133 1.00 0.00 O ATOM 1245 CB VAL A 77 8.692 0.921 5.606 1.00 0.00 C ATOM 1246 CG1 VAL A 77 8.448 0.158 6.913 1.00 0.00 C ATOM 1247 CG2 VAL A 77 9.231 2.297 5.928 1.00 0.00 C ATOM 0 H VAL A 77 10.369 0.072 2.775 1.00 0.00 H new ATOM 0 HA VAL A 77 10.675 0.293 5.271 1.00 0.00 H new ATOM 0 HB VAL A 77 7.759 1.012 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.715 0.694 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.072 -0.840 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.383 0.076 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.501 2.843 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.161 2.201 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.420 2.839 5.002 1.00 0.00 H new ATOM 1257 N GLU A 78 8.155 -1.477 3.994 1.00 0.00 N ATOM 1258 CA GLU A 78 7.656 -2.844 3.805 1.00 0.00 C ATOM 1259 C GLU A 78 7.513 -3.538 5.151 1.00 0.00 C ATOM 1260 O GLU A 78 7.966 -3.065 6.169 1.00 0.00 O ATOM 1261 CB GLU A 78 8.612 -3.614 2.869 1.00 0.00 C ATOM 1262 CG GLU A 78 9.534 -4.561 3.650 1.00 0.00 C ATOM 1263 CD GLU A 78 8.895 -5.950 3.722 1.00 0.00 C ATOM 1264 OE1 GLU A 78 8.015 -6.217 2.919 1.00 0.00 O ATOM 1265 OE2 GLU A 78 9.295 -6.722 4.578 1.00 0.00 O ATOM 0 H GLU A 78 7.581 -0.744 3.577 1.00 0.00 H new ATOM 0 HA GLU A 78 6.670 -2.817 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.030 -4.187 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.215 -2.905 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.507 -4.621 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.703 -4.174 4.655 1.00 0.00 H new ATOM 1272 N ILE A 79 6.889 -4.660 5.103 1.00 0.00 N ATOM 1273 CA ILE A 79 6.648 -5.515 6.309 1.00 0.00 C ATOM 1274 C ILE A 79 5.392 -6.383 6.088 1.00 0.00 C ATOM 1275 O ILE A 79 5.268 -6.957 5.038 1.00 0.00 O ATOM 1276 CB ILE A 79 6.563 -4.684 7.609 1.00 0.00 C ATOM 1277 CG1 ILE A 79 6.519 -5.618 8.827 1.00 0.00 C ATOM 1278 CG2 ILE A 79 5.325 -3.803 7.593 1.00 0.00 C ATOM 1279 CD1 ILE A 79 7.850 -5.547 9.577 1.00 0.00 C ATOM 0 H ILE A 79 6.511 -5.052 4.240 1.00 0.00 H new ATOM 0 HA ILE A 79 7.505 -6.176 6.439 1.00 0.00 H new ATOM 0 HB ILE A 79 7.447 -4.049 7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.702 -5.331 9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.325 -6.642 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.279 -3.224 8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.372 -3.125 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.435 -4.427 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.817 -6.211 10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.658 -5.855 8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.025 -4.524 9.911 1.00 0.00 H new ATOM 1291 N VAL A 80 4.473 -6.487 7.038 1.00 0.00 N ATOM 1292 CA VAL A 80 3.253 -7.372 6.887 1.00 0.00 C ATOM 1293 C VAL A 80 2.884 -7.924 8.264 1.00 0.00 C ATOM 1294 O VAL A 80 1.733 -7.935 8.651 1.00 0.00 O ATOM 1295 CB VAL A 80 3.528 -8.624 6.025 1.00 0.00 C ATOM 1296 CG1 VAL A 80 3.278 -8.329 4.556 1.00 0.00 C ATOM 1297 CG2 VAL A 80 4.966 -9.122 6.228 1.00 0.00 C ATOM 0 H VAL A 80 4.519 -5.987 7.926 1.00 0.00 H new ATOM 0 HA VAL A 80 2.479 -6.759 6.425 1.00 0.00 H new ATOM 0 HB VAL A 80 2.843 -9.409 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.477 -9.224 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.240 -8.027 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.937 -7.525 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.136 -10.004 5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.667 -8.338 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.118 -9.378 7.277 1.00 0.00 H new ATOM 1307 N GLU A 81 3.848 -8.388 9.005 1.00 0.00 N ATOM 1308 CA GLU A 81 3.548 -8.944 10.350 1.00 0.00 C ATOM 1309 C GLU A 81 4.842 -9.457 10.976 1.00 0.00 C ATOM 1310 O GLU A 81 5.297 -10.545 10.686 1.00 0.00 O ATOM 1311 CB GLU A 81 2.547 -10.093 10.216 1.00 0.00 C ATOM 1312 CG GLU A 81 2.951 -10.994 9.045 1.00 0.00 C ATOM 1313 CD GLU A 81 3.499 -12.318 9.584 1.00 0.00 C ATOM 1314 OE1 GLU A 81 3.285 -12.593 10.753 1.00 0.00 O ATOM 1315 OE2 GLU A 81 4.123 -13.032 8.818 1.00 0.00 O ATOM 0 H GLU A 81 4.832 -8.406 8.737 1.00 0.00 H new ATOM 0 HA GLU A 81 3.118 -8.168 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.517 -10.672 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.544 -9.698 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.091 -11.179 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.705 -10.498 8.434 1.00 0.00 H new ATOM 1322 N LYS A 82 5.440 -8.676 11.830 1.00 0.00 N ATOM 1323 CA LYS A 82 6.708 -9.107 12.478 1.00 0.00 C ATOM 1324 C LYS A 82 6.855 -8.380 13.814 1.00 0.00 C ATOM 1325 O LYS A 82 7.795 -7.643 14.034 1.00 0.00 O ATOM 1326 CB LYS A 82 7.887 -8.758 11.567 1.00 0.00 C ATOM 1327 CG LYS A 82 9.113 -9.567 11.990 1.00 0.00 C ATOM 1328 CD LYS A 82 9.875 -10.023 10.746 1.00 0.00 C ATOM 1329 CE LYS A 82 10.511 -11.388 11.011 1.00 0.00 C ATOM 1330 NZ LYS A 82 9.720 -12.446 10.320 1.00 0.00 N ATOM 0 H LYS A 82 5.104 -7.754 12.108 1.00 0.00 H new ATOM 0 HA LYS A 82 6.692 -10.184 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.635 -8.975 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.103 -7.691 11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.760 -8.962 12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.806 -10.431 12.579 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.198 -10.084 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.644 -9.295 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.541 -11.397 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.543 -11.584 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.152 -13.375 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.745 -12.442 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.711 -12.260 9.297 1.00 0.00 H new ATOM 1344 N ALA A 83 5.923 -8.576 14.705 1.00 0.00 N ATOM 1345 CA ALA A 83 5.999 -7.894 16.022 1.00 0.00 C ATOM 1346 C ALA A 83 6.003 -6.388 15.804 1.00 0.00 C ATOM 1347 O ALA A 83 4.970 -5.756 15.741 1.00 0.00 O ATOM 1348 CB ALA A 83 7.274 -8.330 16.749 1.00 0.00 C ATOM 0 H ALA A 83 5.112 -9.180 14.575 1.00 0.00 H new ATOM 0 HA ALA A 83 5.137 -8.164 16.632 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.331 -7.830 17.716 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.256 -9.409 16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.144 -8.061 16.150 1.00 0.00 H new ATOM 1354 N VAL A 84 7.167 -5.838 15.682 1.00 0.00 N ATOM 1355 CA VAL A 84 7.337 -4.365 15.455 1.00 0.00 C ATOM 1356 C VAL A 84 8.673 -3.931 16.074 1.00 0.00 C ATOM 1357 O VAL A 84 8.836 -3.941 17.278 1.00 0.00 O ATOM 1358 CB VAL A 84 6.167 -3.579 16.090 1.00 0.00 C ATOM 1359 CG1 VAL A 84 6.641 -2.224 16.632 1.00 0.00 C ATOM 1360 CG2 VAL A 84 5.094 -3.329 15.025 1.00 0.00 C ATOM 0 H VAL A 84 8.044 -6.356 15.730 1.00 0.00 H new ATOM 0 HA VAL A 84 7.337 -4.154 14.386 1.00 0.00 H new ATOM 0 HB VAL A 84 5.766 -4.168 16.915 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.797 -1.693 17.073 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.406 -2.384 17.392 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.057 -1.631 15.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.266 -2.775 15.466 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.522 -2.751 14.206 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.730 -4.283 14.644 1.00 0.00 H new ATOM 1370 N ARG A 85 9.618 -3.549 15.249 1.00 0.00 N ATOM 1371 CA ARG A 85 10.959 -3.112 15.754 1.00 0.00 C ATOM 1372 C ARG A 85 12.011 -3.392 14.680 1.00 0.00 C ATOM 1373 O ARG A 85 13.049 -2.752 14.715 1.00 0.00 O ATOM 1374 CB ARG A 85 11.333 -3.890 17.018 1.00 0.00 C ATOM 1375 CG ARG A 85 11.098 -3.013 18.249 1.00 0.00 C ATOM 1376 CD ARG A 85 12.396 -2.291 18.614 1.00 0.00 C ATOM 1377 NE ARG A 85 12.140 -1.354 19.744 1.00 0.00 N ATOM 1378 CZ ARG A 85 13.140 -0.843 20.412 1.00 0.00 C ATOM 1379 NH1 ARG A 85 14.368 -1.144 20.087 1.00 0.00 N ATOM 1380 NH2 ARG A 85 12.910 -0.026 21.403 1.00 0.00 N ATOM 1381 OXT ARG A 85 11.761 -4.242 13.843 1.00 0.00 O ATOM 0 H ARG A 85 9.516 -3.521 14.234 1.00 0.00 H new ATOM 0 HA ARG A 85 10.919 -2.048 15.985 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.736 -4.799 17.087 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.378 -4.197 16.972 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.310 -2.288 18.047 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.761 -3.625 19.086 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.162 -3.015 18.894 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.775 -1.743 17.751 1.00 0.00 H new ATOM 0 HE ARG A 85 11.182 -1.111 19.997 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.549 -1.779 19.310 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.147 -0.744 20.610 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.951 0.213 21.655 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.689 0.374 21.926 1.00 0.00 H new TER 1395 ARG A 85