USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 66 ZNZN :(H bumps) USER MOD Set 1.1: A 54 ASN : amide:sc= 0.0605 X(o=0.053,f=0.15) USER MOD Set 1.2: A 55 GLN : amide:sc=-0.00748 X(o=0.053,f=0.15) USER MOD Single : A 1 GLY N :NH3+ -156:sc= 1.21 (180deg=1.09) USER MOD Single : A 5 SER OG : rot -70:sc= 1.24 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 150:sc= -0.949 (180deg=-2.01!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -65:sc= 1.55 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.684) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.71) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0864) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.289 -22.302 -11.651 1.00 0.00 N ATOM 2 CA GLY A 1 13.235 -21.724 -10.297 1.00 0.00 C ATOM 3 C GLY A 1 12.016 -22.189 -9.542 1.00 0.00 C ATOM 4 O GLY A 1 10.898 -21.821 -9.898 1.00 0.00 O ATOM 0 H1 GLY A 1 14.274 -22.313 -11.985 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.921 -23.274 -11.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.711 -21.728 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.133 -22.003 -9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.228 -20.636 -10.365 1.00 0.00 H new ATOM 10 N PRO A 2 12.187 -23.024 -8.510 1.00 0.00 N ATOM 11 CA PRO A 2 11.065 -23.507 -7.698 1.00 0.00 C ATOM 12 C PRO A 2 10.368 -22.356 -6.971 1.00 0.00 C ATOM 13 O PRO A 2 11.030 -21.441 -6.476 1.00 0.00 O ATOM 14 CB PRO A 2 11.740 -24.449 -6.686 1.00 0.00 C ATOM 15 CG PRO A 2 13.040 -24.797 -7.323 1.00 0.00 C ATOM 16 CD PRO A 2 13.472 -23.556 -8.028 1.00 0.00 C ATOM 0 HA PRO A 2 10.293 -23.992 -8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.887 -23.960 -5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.135 -25.337 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.774 -25.103 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.928 -25.627 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.978 -22.860 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.160 -23.768 -8.846 1.00 0.00 H new ATOM 24 N LEU A 3 9.036 -22.427 -6.909 1.00 0.00 N ATOM 25 CA LEU A 3 8.194 -21.443 -6.213 1.00 0.00 C ATOM 26 C LEU A 3 8.616 -19.996 -6.499 1.00 0.00 C ATOM 27 O LEU A 3 9.070 -19.277 -5.596 1.00 0.00 O ATOM 28 CB LEU A 3 8.164 -21.696 -4.683 1.00 0.00 C ATOM 29 CG LEU A 3 7.501 -22.998 -4.179 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.118 -23.183 -4.773 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.376 -24.222 -4.428 1.00 0.00 C ATOM 0 H LEU A 3 8.502 -23.178 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 3 7.188 -21.578 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.192 -21.682 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.650 -20.856 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 3 7.390 -22.897 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.681 -24.108 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.485 -22.342 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.192 -23.232 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.869 -25.113 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.559 -24.327 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.326 -24.102 -3.907 1.00 0.00 H new ATOM 43 N GLY A 4 8.489 -19.582 -7.746 1.00 0.00 N ATOM 44 CA GLY A 4 8.832 -18.223 -8.113 1.00 0.00 C ATOM 45 C GLY A 4 9.670 -18.162 -9.364 1.00 0.00 C ATOM 46 O GLY A 4 10.788 -18.681 -9.405 1.00 0.00 O ATOM 0 H GLY A 4 8.154 -20.162 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.918 -17.648 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.374 -17.753 -7.292 1.00 0.00 H new ATOM 50 N SER A 5 9.139 -17.533 -10.393 1.00 0.00 N ATOM 51 CA SER A 5 9.832 -17.417 -11.647 1.00 0.00 C ATOM 52 C SER A 5 10.800 -16.242 -11.620 1.00 0.00 C ATOM 53 O SER A 5 10.421 -15.086 -11.816 1.00 0.00 O ATOM 54 CB SER A 5 8.827 -17.289 -12.798 1.00 0.00 C ATOM 55 OG SER A 5 7.970 -18.426 -12.841 1.00 0.00 O ATOM 0 H SER A 5 8.219 -17.092 -10.378 1.00 0.00 H new ATOM 0 HA SER A 5 10.418 -18.322 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.234 -16.384 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.359 -17.191 -13.744 1.00 0.00 H new ATOM 0 HG SER A 5 8.482 -19.211 -13.127 1.00 0.00 H new ATOM 61 N LYS A 6 12.042 -16.550 -11.341 1.00 0.00 N ATOM 62 CA LYS A 6 13.090 -15.563 -11.301 1.00 0.00 C ATOM 63 C LYS A 6 14.031 -15.867 -12.452 1.00 0.00 C ATOM 64 O LYS A 6 14.664 -16.934 -12.463 1.00 0.00 O ATOM 65 CB LYS A 6 13.840 -15.701 -9.980 1.00 0.00 C ATOM 66 CG LYS A 6 14.905 -14.653 -9.723 1.00 0.00 C ATOM 67 CD LYS A 6 15.665 -14.964 -8.445 1.00 0.00 C ATOM 68 CE LYS A 6 14.756 -14.980 -7.225 1.00 0.00 C ATOM 69 NZ LYS A 6 15.483 -15.373 -5.996 1.00 0.00 N ATOM 0 H LYS A 6 12.355 -17.498 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 6 12.692 -14.552 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.116 -15.666 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.308 -16.685 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.597 -14.617 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.443 -13.669 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.156 -15.932 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.450 -14.222 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.318 -13.992 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.932 -15.673 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.827 -15.371 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.880 -16.327 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.253 -14.698 -5.817 1.00 0.00 H new ATOM 83 N TYR A 7 14.126 -14.947 -13.414 1.00 0.00 N ATOM 84 CA TYR A 7 14.849 -15.197 -14.671 1.00 0.00 C ATOM 85 C TYR A 7 14.297 -16.455 -15.352 1.00 0.00 C ATOM 86 O TYR A 7 15.000 -17.174 -16.068 1.00 0.00 O ATOM 87 CB TYR A 7 16.364 -15.293 -14.435 1.00 0.00 C ATOM 88 CG TYR A 7 16.975 -14.001 -13.940 1.00 0.00 C ATOM 89 CD1 TYR A 7 17.253 -12.968 -14.818 1.00 0.00 C ATOM 90 CD2 TYR A 7 17.248 -13.807 -12.595 1.00 0.00 C ATOM 91 CE1 TYR A 7 17.807 -11.783 -14.376 1.00 0.00 C ATOM 92 CE2 TYR A 7 17.794 -12.623 -12.144 1.00 0.00 C ATOM 93 CZ TYR A 7 18.064 -11.611 -13.038 1.00 0.00 C ATOM 94 OH TYR A 7 18.602 -10.423 -12.593 1.00 0.00 O ATOM 0 H TYR A 7 13.711 -14.017 -13.350 1.00 0.00 H new ATOM 0 HA TYR A 7 14.689 -14.351 -15.340 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.563 -16.082 -13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.852 -15.585 -15.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.033 -13.091 -15.868 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.030 -14.595 -11.889 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.037 -10.996 -15.079 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.009 -12.490 -11.094 1.00 0.00 H new ATOM 0 HH TYR A 7 18.722 -10.462 -11.621 1.00 0.00 H new ATOM 104 N GLU A 8 13.021 -16.678 -15.121 1.00 0.00 N ATOM 105 CA GLU A 8 12.276 -17.795 -15.647 1.00 0.00 C ATOM 106 C GLU A 8 11.051 -17.237 -16.335 1.00 0.00 C ATOM 107 O GLU A 8 10.360 -16.395 -15.767 1.00 0.00 O ATOM 108 CB GLU A 8 11.853 -18.717 -14.492 1.00 0.00 C ATOM 109 CG GLU A 8 11.069 -19.956 -14.897 1.00 0.00 C ATOM 110 CD GLU A 8 10.640 -20.789 -13.697 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.633 -20.437 -13.052 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.310 -21.799 -13.395 1.00 0.00 O ATOM 0 H GLU A 8 12.455 -16.061 -14.539 1.00 0.00 H new ATOM 0 HA GLU A 8 12.879 -18.372 -16.348 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.748 -19.034 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.250 -18.140 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.186 -19.656 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.679 -20.568 -15.561 1.00 0.00 H new ATOM 119 N CYS A 9 10.800 -17.670 -17.554 1.00 0.00 N ATOM 120 CA CYS A 9 9.641 -17.216 -18.299 1.00 0.00 C ATOM 121 C CYS A 9 8.382 -17.897 -17.755 1.00 0.00 C ATOM 122 O CYS A 9 8.182 -19.094 -17.959 1.00 0.00 O ATOM 123 CB CYS A 9 9.841 -17.538 -19.788 1.00 0.00 C ATOM 124 SG CYS A 9 8.471 -17.061 -20.910 1.00 0.00 S ATOM 0 H CYS A 9 11.386 -18.339 -18.053 1.00 0.00 H new ATOM 0 HA CYS A 9 9.522 -16.138 -18.187 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.750 -17.041 -20.127 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.008 -18.611 -19.887 1.00 0.00 H new ATOM 129 N PRO A 10 7.510 -17.146 -17.038 1.00 0.00 N ATOM 130 CA PRO A 10 6.301 -17.701 -16.419 1.00 0.00 C ATOM 131 C PRO A 10 5.277 -18.133 -17.457 1.00 0.00 C ATOM 132 O PRO A 10 4.361 -18.889 -17.158 1.00 0.00 O ATOM 133 CB PRO A 10 5.765 -16.546 -15.565 1.00 0.00 C ATOM 134 CG PRO A 10 6.291 -15.321 -16.222 1.00 0.00 C ATOM 135 CD PRO A 10 7.634 -15.694 -16.784 1.00 0.00 C ATOM 0 HA PRO A 10 6.512 -18.599 -15.839 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.675 -16.545 -15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.109 -16.622 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.619 -14.982 -17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.381 -14.503 -15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.853 -15.144 -17.699 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.438 -15.477 -16.081 1.00 0.00 H new ATOM 143 N ILE A 11 5.438 -17.634 -18.669 1.00 0.00 N ATOM 144 CA ILE A 11 4.538 -17.950 -19.760 1.00 0.00 C ATOM 145 C ILE A 11 4.633 -19.435 -20.148 1.00 0.00 C ATOM 146 O ILE A 11 3.618 -20.098 -20.349 1.00 0.00 O ATOM 147 CB ILE A 11 4.802 -17.037 -20.991 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.444 -15.586 -20.644 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.008 -17.501 -22.213 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.833 -14.582 -21.701 1.00 0.00 C ATOM 0 H ILE A 11 6.195 -17.000 -18.923 1.00 0.00 H new ATOM 0 HA ILE A 11 3.522 -17.759 -19.413 1.00 0.00 H new ATOM 0 HB ILE A 11 5.861 -17.100 -21.242 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.369 -15.520 -20.474 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.932 -15.318 -19.707 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.216 -16.840 -23.055 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.299 -18.520 -22.470 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.942 -17.474 -21.986 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.545 -13.582 -21.377 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.911 -14.616 -21.856 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.324 -14.821 -22.635 1.00 0.00 H new ATOM 162 N CYS A 12 5.851 -19.952 -20.232 1.00 0.00 N ATOM 163 CA CYS A 12 6.060 -21.348 -20.619 1.00 0.00 C ATOM 164 C CYS A 12 6.457 -22.205 -19.417 1.00 0.00 C ATOM 165 O CYS A 12 6.434 -23.437 -19.476 1.00 0.00 O ATOM 166 CB CYS A 12 7.130 -21.432 -21.705 1.00 0.00 C ATOM 167 SG CYS A 12 8.717 -20.658 -21.258 1.00 0.00 S ATOM 0 H CYS A 12 6.707 -19.433 -20.039 1.00 0.00 H new ATOM 0 HA CYS A 12 5.120 -21.737 -21.009 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.306 -22.481 -21.945 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.750 -20.958 -22.610 1.00 0.00 H new ATOM 172 N LEU A 13 6.822 -21.526 -18.328 1.00 0.00 N ATOM 173 CA LEU A 13 7.295 -22.138 -17.075 1.00 0.00 C ATOM 174 C LEU A 13 8.514 -23.047 -17.302 1.00 0.00 C ATOM 175 O LEU A 13 8.820 -23.904 -16.467 1.00 0.00 O ATOM 176 CB LEU A 13 6.179 -22.956 -16.371 1.00 0.00 C ATOM 177 CG LEU A 13 4.901 -22.216 -15.933 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.958 -21.982 -17.102 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.196 -22.976 -14.824 1.00 0.00 C ATOM 0 H LEU A 13 6.798 -20.507 -18.287 1.00 0.00 H new ATOM 0 HA LEU A 13 7.587 -21.308 -16.431 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.883 -23.762 -17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.614 -23.421 -15.486 1.00 0.00 H new ATOM 0 HG LEU A 13 5.202 -21.240 -15.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.069 -21.458 -16.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.460 -21.380 -17.860 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.668 -22.940 -17.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.296 -22.437 -14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.924 -23.970 -15.180 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.862 -23.068 -13.966 1.00 0.00 H new ATOM 191 N MET A 14 9.228 -22.839 -18.400 1.00 0.00 N ATOM 192 CA MET A 14 10.404 -23.659 -18.695 1.00 0.00 C ATOM 193 C MET A 14 11.697 -22.955 -18.322 1.00 0.00 C ATOM 194 O MET A 14 12.372 -23.338 -17.358 1.00 0.00 O ATOM 195 CB MET A 14 10.453 -24.097 -20.165 1.00 0.00 C ATOM 196 CG MET A 14 9.388 -25.108 -20.572 1.00 0.00 C ATOM 197 SD MET A 14 9.568 -25.638 -22.295 1.00 0.00 S ATOM 198 CE MET A 14 9.099 -24.147 -23.170 1.00 0.00 C ATOM 0 H MET A 14 9.021 -22.121 -19.095 1.00 0.00 H new ATOM 0 HA MET A 14 10.307 -24.552 -18.077 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.353 -23.213 -20.795 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.435 -24.524 -20.369 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.447 -25.978 -19.918 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.400 -24.669 -20.430 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.630 -24.101 -24.121 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.025 -24.156 -23.354 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.357 -23.276 -22.568 1.00 0.00 H new ATOM 208 N ALA A 15 12.025 -21.920 -19.073 1.00 0.00 N ATOM 209 CA ALA A 15 13.279 -21.202 -18.930 1.00 0.00 C ATOM 210 C ALA A 15 13.286 -20.032 -19.881 1.00 0.00 C ATOM 211 O ALA A 15 12.252 -19.686 -20.445 1.00 0.00 O ATOM 212 CB ALA A 15 14.457 -22.122 -19.248 1.00 0.00 C ATOM 0 H ALA A 15 11.422 -21.550 -19.808 1.00 0.00 H new ATOM 0 HA ALA A 15 13.376 -20.851 -17.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.390 -21.570 -19.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.452 -22.969 -18.562 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.370 -22.484 -20.272 1.00 0.00 H new ATOM 218 N LEU A 16 14.442 -19.430 -20.065 1.00 0.00 N ATOM 219 CA LEU A 16 14.595 -18.352 -21.008 1.00 0.00 C ATOM 220 C LEU A 16 15.080 -18.906 -22.327 1.00 0.00 C ATOM 221 O LEU A 16 16.231 -19.313 -22.449 1.00 0.00 O ATOM 222 CB LEU A 16 15.631 -17.348 -20.493 1.00 0.00 C ATOM 223 CG LEU A 16 15.346 -16.729 -19.139 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.455 -15.768 -18.746 1.00 0.00 C ATOM 225 CD2 LEU A 16 14.002 -16.035 -19.145 1.00 0.00 C ATOM 0 H LEU A 16 15.297 -19.676 -19.565 1.00 0.00 H new ATOM 0 HA LEU A 16 13.633 -17.856 -21.135 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.598 -17.848 -20.445 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.723 -16.545 -21.224 1.00 0.00 H new ATOM 0 HG LEU A 16 15.312 -17.525 -18.395 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.232 -15.334 -17.771 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.402 -16.306 -18.696 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.528 -14.974 -19.489 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.814 -15.597 -18.165 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.002 -15.249 -19.900 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.220 -16.759 -19.374 1.00 0.00 H new ATOM 237 N ARG A 17 14.202 -18.944 -23.311 1.00 0.00 N ATOM 238 CA ARG A 17 14.587 -19.407 -24.630 1.00 0.00 C ATOM 239 C ARG A 17 15.521 -18.378 -25.270 1.00 0.00 C ATOM 240 O ARG A 17 16.562 -18.716 -25.830 1.00 0.00 O ATOM 241 CB ARG A 17 13.330 -19.585 -25.486 1.00 0.00 C ATOM 242 CG ARG A 17 13.558 -20.151 -26.870 1.00 0.00 C ATOM 243 CD ARG A 17 13.986 -21.612 -26.817 1.00 0.00 C ATOM 244 NE ARG A 17 14.117 -22.180 -28.155 1.00 0.00 N ATOM 245 CZ ARG A 17 14.010 -23.480 -28.454 1.00 0.00 C ATOM 246 NH1 ARG A 17 13.769 -24.378 -27.493 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.135 -23.876 -29.715 1.00 0.00 N ATOM 0 H ARG A 17 13.226 -18.662 -23.224 1.00 0.00 H new ATOM 0 HA ARG A 17 15.106 -20.362 -24.556 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.639 -20.240 -24.954 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.839 -18.617 -25.585 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.643 -20.061 -27.455 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.323 -19.566 -27.381 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.937 -21.695 -26.291 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.255 -22.186 -26.247 1.00 0.00 H new ATOM 0 HE ARG A 17 14.305 -21.535 -28.923 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.666 -24.074 -26.525 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.689 -25.367 -27.728 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.312 -23.191 -30.450 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.054 -24.865 -29.949 1.00 0.00 H new ATOM 261 N GLU A 18 15.150 -17.110 -25.127 1.00 0.00 N ATOM 262 CA GLU A 18 15.872 -16.001 -25.753 1.00 0.00 C ATOM 263 C GLU A 18 16.360 -14.971 -24.738 1.00 0.00 C ATOM 264 O GLU A 18 17.196 -14.120 -25.064 1.00 0.00 O ATOM 265 CB GLU A 18 14.993 -15.335 -26.803 1.00 0.00 C ATOM 266 CG GLU A 18 14.768 -16.189 -28.032 1.00 0.00 C ATOM 267 CD GLU A 18 16.027 -16.360 -28.843 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.594 -15.343 -29.284 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.462 -17.507 -29.044 1.00 0.00 O ATOM 0 H GLU A 18 14.343 -16.819 -24.576 1.00 0.00 H new ATOM 0 HA GLU A 18 16.759 -16.420 -26.229 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.028 -15.093 -26.357 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.451 -14.393 -27.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.397 -17.168 -27.729 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.997 -15.734 -28.653 1.00 0.00 H new ATOM 276 N ALA A 19 15.820 -15.052 -23.523 1.00 0.00 N ATOM 277 CA ALA A 19 16.185 -14.165 -22.414 1.00 0.00 C ATOM 278 C ALA A 19 16.031 -12.688 -22.774 1.00 0.00 C ATOM 279 O ALA A 19 16.983 -11.905 -22.655 1.00 0.00 O ATOM 280 CB ALA A 19 17.605 -14.453 -21.944 1.00 0.00 C ATOM 0 H ALA A 19 15.110 -15.741 -23.276 1.00 0.00 H new ATOM 0 HA ALA A 19 15.491 -14.371 -21.599 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.858 -13.785 -21.121 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.674 -15.487 -21.607 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.300 -14.293 -22.768 1.00 0.00 H new ATOM 286 N VAL A 20 14.840 -12.295 -23.191 1.00 0.00 N ATOM 287 CA VAL A 20 14.604 -10.901 -23.512 1.00 0.00 C ATOM 288 C VAL A 20 14.278 -10.101 -22.246 1.00 0.00 C ATOM 289 O VAL A 20 13.296 -10.372 -21.547 1.00 0.00 O ATOM 290 CB VAL A 20 13.541 -10.686 -24.630 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.002 -11.325 -25.934 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.179 -11.226 -24.233 1.00 0.00 C ATOM 0 H VAL A 20 14.035 -12.910 -23.313 1.00 0.00 H new ATOM 0 HA VAL A 20 15.535 -10.518 -23.931 1.00 0.00 H new ATOM 0 HB VAL A 20 13.438 -9.611 -24.775 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.247 -11.165 -26.704 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.943 -10.873 -26.248 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.146 -12.395 -25.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.469 -11.054 -25.042 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.255 -12.296 -24.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.834 -10.716 -23.334 1.00 0.00 H new ATOM 302 N GLN A 21 15.147 -9.158 -21.940 1.00 0.00 N ATOM 303 CA GLN A 21 15.054 -8.349 -20.735 1.00 0.00 C ATOM 304 C GLN A 21 14.017 -7.234 -20.876 1.00 0.00 C ATOM 305 O GLN A 21 13.969 -6.546 -21.897 1.00 0.00 O ATOM 306 CB GLN A 21 16.434 -7.772 -20.415 1.00 0.00 C ATOM 307 CG GLN A 21 16.498 -6.867 -19.202 1.00 0.00 C ATOM 308 CD GLN A 21 17.902 -6.359 -18.962 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.697 -6.988 -18.261 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.228 -5.235 -19.567 1.00 0.00 N ATOM 0 H GLN A 21 15.949 -8.927 -22.527 1.00 0.00 H new ATOM 0 HA GLN A 21 14.722 -8.984 -19.914 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.129 -8.599 -20.267 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.785 -7.213 -21.282 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.823 -6.022 -19.341 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.151 -7.410 -18.323 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.540 -4.745 -20.139 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.169 -4.855 -19.464 1.00 0.00 H new ATOM 319 N THR A 22 13.199 -7.083 -19.859 1.00 0.00 N ATOM 320 CA THR A 22 12.158 -6.070 -19.823 1.00 0.00 C ATOM 321 C THR A 22 12.530 -4.976 -18.801 1.00 0.00 C ATOM 322 O THR A 22 13.318 -5.241 -17.886 1.00 0.00 O ATOM 323 CB THR A 22 10.819 -6.727 -19.423 1.00 0.00 C ATOM 324 OG1 THR A 22 11.005 -7.477 -18.219 1.00 0.00 O ATOM 325 CG2 THR A 22 10.354 -7.671 -20.521 1.00 0.00 C ATOM 0 H THR A 22 13.235 -7.665 -19.022 1.00 0.00 H new ATOM 0 HA THR A 22 12.059 -5.616 -20.809 1.00 0.00 H new ATOM 0 HB THR A 22 10.071 -5.949 -19.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.614 -8.225 -18.391 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.409 -8.130 -20.230 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.217 -7.113 -21.447 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.103 -8.448 -20.674 1.00 0.00 H new ATOM 333 N PRO A 23 11.965 -3.742 -18.932 1.00 0.00 N ATOM 334 CA PRO A 23 12.306 -2.608 -18.038 1.00 0.00 C ATOM 335 C PRO A 23 12.129 -2.933 -16.552 1.00 0.00 C ATOM 336 O PRO A 23 12.958 -2.553 -15.723 1.00 0.00 O ATOM 337 CB PRO A 23 11.298 -1.532 -18.440 1.00 0.00 C ATOM 338 CG PRO A 23 10.966 -1.837 -19.856 1.00 0.00 C ATOM 339 CD PRO A 23 10.977 -3.337 -19.965 1.00 0.00 C ATOM 0 HA PRO A 23 13.353 -2.324 -18.147 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.410 -1.566 -17.809 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.723 -0.533 -18.339 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.990 -1.432 -20.125 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.694 -1.390 -20.533 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.993 -3.763 -19.770 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.276 -3.667 -20.960 1.00 0.00 H new ATOM 347 N CYS A 24 11.061 -3.652 -16.221 1.00 0.00 N ATOM 348 CA CYS A 24 10.751 -3.988 -14.839 1.00 0.00 C ATOM 349 C CYS A 24 11.675 -5.076 -14.262 1.00 0.00 C ATOM 350 O CYS A 24 11.719 -5.290 -13.045 1.00 0.00 O ATOM 351 CB CYS A 24 9.272 -4.336 -14.695 1.00 0.00 C ATOM 352 SG CYS A 24 8.551 -5.142 -16.163 1.00 0.00 S ATOM 0 H CYS A 24 10.391 -4.015 -16.899 1.00 0.00 H new ATOM 0 HA CYS A 24 10.947 -3.102 -14.235 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.146 -4.993 -13.834 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.714 -3.424 -14.484 1.00 0.00 H new ATOM 357 N GLY A 25 12.396 -5.768 -15.134 1.00 0.00 N ATOM 358 CA GLY A 25 13.392 -6.716 -14.664 1.00 0.00 C ATOM 359 C GLY A 25 12.972 -8.168 -14.785 1.00 0.00 C ATOM 360 O GLY A 25 13.285 -8.984 -13.913 1.00 0.00 O ATOM 0 H GLY A 25 12.312 -5.693 -16.148 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.313 -6.568 -15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.619 -6.500 -13.620 1.00 0.00 H new ATOM 364 N HIS A 26 12.263 -8.505 -15.844 1.00 0.00 N ATOM 365 CA HIS A 26 11.925 -9.904 -16.098 1.00 0.00 C ATOM 366 C HIS A 26 12.576 -10.295 -17.401 1.00 0.00 C ATOM 367 O HIS A 26 12.883 -9.422 -18.220 1.00 0.00 O ATOM 368 CB HIS A 26 10.417 -10.123 -16.292 1.00 0.00 C ATOM 369 CG HIS A 26 9.515 -9.357 -15.402 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.274 -9.678 -14.086 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.775 -8.269 -15.664 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.417 -8.811 -13.577 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.097 -7.940 -14.521 1.00 0.00 N ATOM 0 H HIS A 26 11.911 -7.845 -16.537 1.00 0.00 H new ATOM 0 HA HIS A 26 12.260 -10.487 -15.240 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.167 -9.876 -17.324 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.207 -11.184 -16.158 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.691 -10.461 -13.583 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.723 -7.746 -16.608 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.042 -8.813 -12.564 1.00 0.00 H new ATOM 380 N ARG A 27 12.787 -11.560 -17.602 1.00 0.00 N ATOM 381 CA ARG A 27 13.229 -12.023 -18.892 1.00 0.00 C ATOM 382 C ARG A 27 12.251 -13.055 -19.412 1.00 0.00 C ATOM 383 O ARG A 27 11.737 -13.875 -18.655 1.00 0.00 O ATOM 384 CB ARG A 27 14.652 -12.586 -18.846 1.00 0.00 C ATOM 385 CG ARG A 27 15.716 -11.559 -18.490 1.00 0.00 C ATOM 386 CD ARG A 27 17.108 -12.167 -18.499 1.00 0.00 C ATOM 387 NE ARG A 27 18.119 -11.212 -18.056 1.00 0.00 N ATOM 388 CZ ARG A 27 19.439 -11.349 -18.230 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.935 -12.381 -18.918 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.263 -10.441 -17.725 1.00 0.00 N ATOM 0 H ARG A 27 12.663 -12.289 -16.899 1.00 0.00 H new ATOM 0 HA ARG A 27 13.256 -11.172 -19.573 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.687 -13.397 -18.118 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.891 -13.019 -19.817 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.675 -10.732 -19.199 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.506 -11.144 -17.504 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.126 -13.043 -17.850 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.348 -12.510 -19.505 1.00 0.00 H new ATOM 0 HE ARG A 27 17.794 -10.373 -17.575 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.306 -13.077 -19.318 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.943 -12.473 -19.043 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.890 -9.645 -17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.270 -10.539 -17.854 1.00 0.00 H new ATOM 404 N PHE A 28 11.981 -12.997 -20.690 1.00 0.00 N ATOM 405 CA PHE A 28 11.019 -13.879 -21.312 1.00 0.00 C ATOM 406 C PHE A 28 11.600 -14.483 -22.573 1.00 0.00 C ATOM 407 O PHE A 28 12.707 -14.123 -22.994 1.00 0.00 O ATOM 408 CB PHE A 28 9.735 -13.129 -21.677 1.00 0.00 C ATOM 409 CG PHE A 28 8.948 -12.570 -20.519 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.007 -13.343 -19.866 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.127 -11.257 -20.115 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.267 -12.823 -18.820 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.392 -10.732 -19.068 1.00 0.00 C ATOM 414 CZ PHE A 28 7.457 -11.518 -18.420 1.00 0.00 C ATOM 0 H PHE A 28 12.420 -12.338 -21.332 1.00 0.00 H new ATOM 0 HA PHE A 28 10.783 -14.664 -20.594 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.994 -12.308 -22.345 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.089 -13.805 -22.238 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.848 -14.365 -20.176 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.849 -10.636 -20.624 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.539 -13.441 -18.316 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.548 -9.710 -18.757 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.878 -11.111 -17.604 1.00 0.00 H new ATOM 424 N CYS A 29 10.880 -15.408 -23.154 1.00 0.00 N ATOM 425 CA CYS A 29 11.240 -15.949 -24.442 1.00 0.00 C ATOM 426 C CYS A 29 10.677 -15.041 -25.537 1.00 0.00 C ATOM 427 O CYS A 29 9.614 -14.439 -25.363 1.00 0.00 O ATOM 428 CB CYS A 29 10.668 -17.349 -24.585 1.00 0.00 C ATOM 429 SG CYS A 29 11.044 -18.448 -23.185 1.00 0.00 S ATOM 0 H CYS A 29 10.032 -15.807 -22.751 1.00 0.00 H new ATOM 0 HA CYS A 29 12.325 -16.000 -24.533 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.586 -17.279 -24.698 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.056 -17.797 -25.500 1.00 0.00 H new ATOM 434 N LYS A 30 11.371 -14.971 -26.652 1.00 0.00 N ATOM 435 CA LYS A 30 11.053 -14.035 -27.732 1.00 0.00 C ATOM 436 C LYS A 30 9.799 -14.475 -28.502 1.00 0.00 C ATOM 437 O LYS A 30 9.237 -13.722 -29.289 1.00 0.00 O ATOM 438 CB LYS A 30 12.275 -13.878 -28.647 1.00 0.00 C ATOM 439 CG LYS A 30 12.174 -12.804 -29.722 1.00 0.00 C ATOM 440 CD LYS A 30 13.518 -12.608 -30.417 1.00 0.00 C ATOM 441 CE LYS A 30 13.959 -13.846 -31.184 1.00 0.00 C ATOM 442 NZ LYS A 30 15.274 -13.651 -31.832 1.00 0.00 N ATOM 0 H LYS A 30 12.179 -15.562 -26.845 1.00 0.00 H new ATOM 0 HA LYS A 30 10.820 -13.059 -27.306 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.143 -13.660 -28.025 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.464 -14.835 -29.134 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.418 -13.086 -30.455 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.850 -11.864 -29.275 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.450 -11.764 -31.103 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.275 -12.355 -29.674 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.012 -14.696 -30.503 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.213 -14.090 -31.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.540 -14.516 -32.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.217 -12.856 -32.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.991 -13.444 -31.107 1.00 0.00 H new ATOM 456 N ALA A 31 9.348 -15.685 -28.247 1.00 0.00 N ATOM 457 CA ALA A 31 8.134 -16.171 -28.878 1.00 0.00 C ATOM 458 C ALA A 31 7.057 -16.390 -27.830 1.00 0.00 C ATOM 459 O ALA A 31 5.914 -16.715 -28.153 1.00 0.00 O ATOM 460 CB ALA A 31 8.406 -17.450 -29.652 1.00 0.00 C ATOM 0 H ALA A 31 9.797 -16.347 -27.614 1.00 0.00 H new ATOM 0 HA ALA A 31 7.782 -15.421 -29.586 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.483 -17.797 -30.117 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.151 -17.257 -30.424 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.779 -18.215 -28.971 1.00 0.00 H new ATOM 466 N CYS A 32 7.427 -16.201 -26.568 1.00 0.00 N ATOM 467 CA CYS A 32 6.475 -16.265 -25.487 1.00 0.00 C ATOM 468 C CYS A 32 5.879 -14.892 -25.228 1.00 0.00 C ATOM 469 O CYS A 32 4.671 -14.695 -25.369 1.00 0.00 O ATOM 470 CB CYS A 32 7.126 -16.795 -24.204 1.00 0.00 C ATOM 471 SG CYS A 32 7.566 -18.565 -24.239 1.00 0.00 S ATOM 0 H CYS A 32 8.384 -16.002 -26.277 1.00 0.00 H new ATOM 0 HA CYS A 32 5.683 -16.954 -25.781 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.028 -16.216 -24.006 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.446 -16.621 -23.370 1.00 0.00 H new ATOM 476 N ILE A 33 6.739 -13.932 -24.873 1.00 0.00 N ATOM 477 CA ILE A 33 6.275 -12.612 -24.460 1.00 0.00 C ATOM 478 C ILE A 33 5.626 -11.837 -25.603 1.00 0.00 C ATOM 479 O ILE A 33 4.591 -11.211 -25.417 1.00 0.00 O ATOM 480 CB ILE A 33 7.395 -11.767 -23.785 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.819 -10.499 -23.141 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.510 -11.418 -24.757 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.831 -10.773 -22.024 1.00 0.00 C ATOM 0 H ILE A 33 7.752 -14.047 -24.865 1.00 0.00 H new ATOM 0 HA ILE A 33 5.507 -12.795 -23.709 1.00 0.00 H new ATOM 0 HB ILE A 33 7.829 -12.385 -22.999 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.639 -9.898 -22.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.327 -9.904 -23.910 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.269 -10.828 -24.243 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.960 -12.334 -25.139 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.102 -10.841 -25.587 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.468 -9.828 -21.619 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.991 -11.347 -22.414 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.323 -11.341 -21.234 1.00 0.00 H new ATOM 495 N ILE A 34 6.205 -11.920 -26.796 1.00 0.00 N ATOM 496 CA ILE A 34 5.686 -11.175 -27.938 1.00 0.00 C ATOM 497 C ILE A 34 4.272 -11.624 -28.283 1.00 0.00 C ATOM 498 O ILE A 34 3.378 -10.797 -28.478 1.00 0.00 O ATOM 499 CB ILE A 34 6.625 -11.248 -29.172 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.928 -10.488 -28.881 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.948 -10.702 -30.424 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.980 -10.611 -29.965 1.00 0.00 C ATOM 0 H ILE A 34 7.027 -12.490 -26.997 1.00 0.00 H new ATOM 0 HA ILE A 34 5.646 -10.126 -27.644 1.00 0.00 H new ATOM 0 HB ILE A 34 6.859 -12.296 -29.362 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.694 -9.433 -28.736 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.346 -10.854 -27.943 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.635 -10.769 -31.268 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.053 -11.286 -30.638 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.672 -9.660 -30.263 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.866 -10.045 -29.678 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.247 -11.660 -30.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.585 -10.217 -30.902 1.00 0.00 H new ATOM 514 N LYS A 35 4.048 -12.922 -28.267 1.00 0.00 N ATOM 515 CA LYS A 35 2.750 -13.481 -28.620 1.00 0.00 C ATOM 516 C LYS A 35 1.780 -13.366 -27.428 1.00 0.00 C ATOM 517 O LYS A 35 0.629 -13.787 -27.488 1.00 0.00 O ATOM 518 CB LYS A 35 2.907 -14.938 -29.089 1.00 0.00 C ATOM 519 CG LYS A 35 1.624 -15.616 -29.554 1.00 0.00 C ATOM 520 CD LYS A 35 1.003 -14.901 -30.749 1.00 0.00 C ATOM 521 CE LYS A 35 -0.137 -15.708 -31.359 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.292 -15.863 -30.440 1.00 0.00 N ATOM 0 H LYS A 35 4.750 -13.617 -28.012 1.00 0.00 H new ATOM 0 HA LYS A 35 2.327 -12.912 -29.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.628 -14.963 -29.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.331 -15.521 -28.272 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.837 -16.651 -29.821 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.908 -15.639 -28.733 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.631 -13.925 -30.436 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.768 -14.723 -31.505 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.471 -15.220 -32.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.232 -16.694 -31.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.926 -16.604 -30.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.950 -16.131 -29.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.810 -14.963 -30.379 1.00 0.00 H new ATOM 536 N SER A 36 2.256 -12.781 -26.352 1.00 0.00 N ATOM 537 CA SER A 36 1.422 -12.526 -25.208 1.00 0.00 C ATOM 538 C SER A 36 1.079 -11.037 -25.136 1.00 0.00 C ATOM 539 O SER A 36 0.034 -10.665 -24.597 1.00 0.00 O ATOM 540 CB SER A 36 2.120 -12.981 -23.915 1.00 0.00 C ATOM 541 OG SER A 36 1.285 -12.802 -22.779 1.00 0.00 O ATOM 0 H SER A 36 3.223 -12.473 -26.249 1.00 0.00 H new ATOM 0 HA SER A 36 0.499 -13.096 -25.313 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.398 -14.031 -24.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.043 -12.417 -23.781 1.00 0.00 H new ATOM 0 HG SER A 36 1.758 -13.102 -21.975 1.00 0.00 H new ATOM 547 N ILE A 37 1.927 -10.186 -25.724 1.00 0.00 N ATOM 548 CA ILE A 37 1.730 -8.748 -25.600 1.00 0.00 C ATOM 549 C ILE A 37 1.138 -8.121 -26.858 1.00 0.00 C ATOM 550 O ILE A 37 0.536 -7.061 -26.790 1.00 0.00 O ATOM 551 CB ILE A 37 3.027 -7.999 -25.204 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.116 -8.194 -26.266 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.513 -8.466 -23.842 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.347 -7.339 -26.049 1.00 0.00 C ATOM 0 H ILE A 37 2.737 -10.465 -26.277 1.00 0.00 H new ATOM 0 HA ILE A 37 1.008 -8.634 -24.791 1.00 0.00 H new ATOM 0 HB ILE A 37 2.803 -6.934 -25.144 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.412 -9.243 -26.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.697 -7.968 -27.247 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.425 -7.931 -23.578 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.746 -8.267 -23.094 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.717 -9.536 -23.876 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.070 -7.534 -26.841 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.066 -6.286 -26.066 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.792 -7.580 -25.084 1.00 0.00 H new ATOM 566 N ARG A 38 1.295 -8.764 -28.001 1.00 0.00 N ATOM 567 CA ARG A 38 0.644 -8.259 -29.207 1.00 0.00 C ATOM 568 C ARG A 38 -0.636 -9.030 -29.482 1.00 0.00 C ATOM 569 O ARG A 38 -1.300 -8.820 -30.497 1.00 0.00 O ATOM 570 CB ARG A 38 1.576 -8.270 -30.438 1.00 0.00 C ATOM 571 CG ARG A 38 1.996 -9.646 -30.928 1.00 0.00 C ATOM 572 CD ARG A 38 2.858 -9.541 -32.180 1.00 0.00 C ATOM 573 NE ARG A 38 2.108 -9.037 -33.331 1.00 0.00 N ATOM 574 CZ ARG A 38 2.656 -8.566 -34.458 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.972 -8.523 -34.593 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.876 -8.151 -35.447 1.00 0.00 N ATOM 0 H ARG A 38 1.849 -9.612 -28.125 1.00 0.00 H new ATOM 0 HA ARG A 38 0.393 -7.215 -29.022 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.076 -7.749 -31.255 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.473 -7.699 -30.198 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.550 -10.162 -30.143 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.111 -10.246 -31.141 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.703 -8.881 -31.982 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.269 -10.522 -32.419 1.00 0.00 H new ATOM 0 HE ARG A 38 1.090 -9.045 -33.270 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.573 -8.850 -33.837 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.385 -8.163 -35.454 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.862 -8.191 -35.348 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.290 -7.792 -36.307 1.00 0.00 H new ATOM 590 N ASP A 39 -0.979 -9.924 -28.567 1.00 0.00 N ATOM 591 CA ASP A 39 -2.143 -10.778 -28.748 1.00 0.00 C ATOM 592 C ASP A 39 -3.172 -10.562 -27.641 1.00 0.00 C ATOM 593 O ASP A 39 -4.316 -10.205 -27.914 1.00 0.00 O ATOM 594 CB ASP A 39 -1.697 -12.241 -28.768 1.00 0.00 C ATOM 595 CG ASP A 39 -2.830 -13.221 -29.006 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.552 -13.555 -28.052 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.974 -13.695 -30.141 1.00 0.00 O ATOM 0 H ASP A 39 -0.471 -10.077 -27.696 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.616 -10.520 -29.695 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.946 -12.372 -29.547 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.217 -12.478 -27.819 1.00 0.00 H new ATOM 602 N ALA A 40 -2.753 -10.749 -26.395 1.00 0.00 N ATOM 603 CA ALA A 40 -3.656 -10.623 -25.261 1.00 0.00 C ATOM 604 C ALA A 40 -3.614 -9.223 -24.664 1.00 0.00 C ATOM 605 O ALA A 40 -4.583 -8.467 -24.755 1.00 0.00 O ATOM 606 CB ALA A 40 -3.336 -11.670 -24.201 1.00 0.00 C ATOM 0 H ALA A 40 -1.793 -10.988 -26.146 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.669 -10.795 -25.625 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.022 -11.559 -23.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.445 -12.666 -24.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.312 -11.534 -23.853 1.00 0.00 H new ATOM 612 N GLY A 41 -2.492 -8.888 -24.056 1.00 0.00 N ATOM 613 CA GLY A 41 -2.321 -7.585 -23.453 1.00 0.00 C ATOM 614 C GLY A 41 -0.895 -7.131 -23.580 1.00 0.00 C ATOM 615 O GLY A 41 0.015 -7.927 -23.400 1.00 0.00 O ATOM 0 H GLY A 41 -1.684 -9.504 -23.968 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.983 -6.865 -23.935 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.604 -7.624 -22.401 1.00 0.00 H new ATOM 619 N HIS A 42 -0.690 -5.859 -23.860 1.00 0.00 N ATOM 620 CA HIS A 42 0.638 -5.343 -24.174 1.00 0.00 C ATOM 621 C HIS A 42 1.415 -5.037 -22.884 1.00 0.00 C ATOM 622 O HIS A 42 1.941 -3.938 -22.695 1.00 0.00 O ATOM 623 CB HIS A 42 0.494 -4.091 -25.055 1.00 0.00 C ATOM 624 CG HIS A 42 1.712 -3.752 -25.864 1.00 0.00 C ATOM 625 ND1 HIS A 42 2.180 -2.473 -26.011 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.529 -4.533 -26.606 1.00 0.00 C ATOM 627 CE1 HIS A 42 3.232 -2.476 -26.805 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.463 -3.710 -27.177 1.00 0.00 N ATOM 0 H HIS A 42 -1.428 -5.156 -23.878 1.00 0.00 H new ATOM 0 HA HIS A 42 1.206 -6.094 -24.723 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.348 -4.235 -25.733 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.249 -3.241 -24.418 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.776 -1.645 -25.573 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.458 -5.604 -26.726 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.805 -1.609 -27.099 1.00 0.00 H new ATOM 637 N LYS A 43 1.472 -6.023 -22.010 1.00 0.00 N ATOM 638 CA LYS A 43 2.062 -5.891 -20.692 1.00 0.00 C ATOM 639 C LYS A 43 2.519 -7.258 -20.195 1.00 0.00 C ATOM 640 O LYS A 43 2.076 -8.283 -20.709 1.00 0.00 O ATOM 641 CB LYS A 43 1.009 -5.314 -19.749 1.00 0.00 C ATOM 642 CG LYS A 43 -0.211 -6.212 -19.577 1.00 0.00 C ATOM 643 CD LYS A 43 -1.260 -5.577 -18.689 1.00 0.00 C ATOM 644 CE LYS A 43 -1.881 -4.364 -19.366 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.973 -3.779 -18.564 1.00 0.00 N ATOM 0 H LYS A 43 1.103 -6.955 -22.199 1.00 0.00 H new ATOM 0 HA LYS A 43 2.927 -5.229 -20.730 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.463 -5.140 -18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.686 -4.344 -20.128 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.644 -6.427 -20.554 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.098 -7.166 -19.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.036 -6.306 -18.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.809 -5.279 -17.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.112 -3.610 -19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.265 -4.652 -20.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.367 -2.956 -19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.720 -4.489 -18.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.603 -3.479 -17.640 1.00 0.00 H new ATOM 659 N CYS A 44 3.403 -7.275 -19.217 1.00 0.00 N ATOM 660 CA CYS A 44 3.793 -8.524 -18.598 1.00 0.00 C ATOM 661 C CYS A 44 2.733 -8.976 -17.594 1.00 0.00 C ATOM 662 O CYS A 44 2.311 -8.203 -16.744 1.00 0.00 O ATOM 663 CB CYS A 44 5.180 -8.418 -17.949 1.00 0.00 C ATOM 664 SG CYS A 44 5.478 -6.898 -17.004 1.00 0.00 S ATOM 0 H CYS A 44 3.860 -6.446 -18.837 1.00 0.00 H new ATOM 0 HA CYS A 44 3.864 -9.284 -19.377 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.319 -9.272 -17.286 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.936 -8.495 -18.731 1.00 0.00 H new ATOM 669 N PRO A 45 2.301 -10.242 -17.680 1.00 0.00 N ATOM 670 CA PRO A 45 1.190 -10.774 -16.867 1.00 0.00 C ATOM 671 C PRO A 45 1.472 -10.766 -15.357 1.00 0.00 C ATOM 672 O PRO A 45 0.550 -10.809 -14.545 1.00 0.00 O ATOM 673 CB PRO A 45 1.036 -12.217 -17.380 1.00 0.00 C ATOM 674 CG PRO A 45 2.362 -12.544 -17.978 1.00 0.00 C ATOM 675 CD PRO A 45 2.837 -11.269 -18.599 1.00 0.00 C ATOM 0 HA PRO A 45 0.294 -10.162 -16.973 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.786 -12.902 -16.570 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.238 -12.293 -18.119 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.060 -12.896 -17.219 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.274 -13.336 -18.722 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.924 -11.229 -18.661 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.455 -11.145 -19.612 1.00 0.00 H new ATOM 683 N VAL A 46 2.745 -10.716 -14.993 1.00 0.00 N ATOM 684 CA VAL A 46 3.135 -10.765 -13.590 1.00 0.00 C ATOM 685 C VAL A 46 2.821 -9.467 -12.815 1.00 0.00 C ATOM 686 O VAL A 46 1.921 -9.454 -11.974 1.00 0.00 O ATOM 687 CB VAL A 46 4.610 -11.221 -13.386 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.720 -12.726 -13.584 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.550 -10.515 -14.365 1.00 0.00 C ATOM 0 H VAL A 46 3.524 -10.642 -15.647 1.00 0.00 H new ATOM 0 HA VAL A 46 2.503 -11.537 -13.152 1.00 0.00 H new ATOM 0 HB VAL A 46 4.904 -10.957 -12.370 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.755 -13.037 -13.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.083 -13.236 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.401 -12.984 -14.594 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.572 -10.855 -14.197 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.253 -10.749 -15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.496 -9.438 -14.209 1.00 0.00 H new ATOM 699 N ASP A 47 3.540 -8.387 -13.097 1.00 0.00 N ATOM 700 CA ASP A 47 3.320 -7.129 -12.382 1.00 0.00 C ATOM 701 C ASP A 47 2.537 -6.149 -13.238 1.00 0.00 C ATOM 702 O ASP A 47 2.318 -5.007 -12.848 1.00 0.00 O ATOM 703 CB ASP A 47 4.641 -6.498 -11.898 1.00 0.00 C ATOM 704 CG ASP A 47 5.627 -6.219 -13.008 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.388 -6.622 -14.153 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.671 -5.603 -12.747 1.00 0.00 O ATOM 0 H ASP A 47 4.272 -8.353 -13.806 1.00 0.00 H new ATOM 0 HA ASP A 47 2.730 -7.363 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.419 -5.565 -11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.106 -7.164 -11.171 1.00 0.00 H new ATOM 711 N ASN A 48 2.101 -6.623 -14.394 1.00 0.00 N ATOM 712 CA ASN A 48 1.216 -5.879 -15.298 1.00 0.00 C ATOM 713 C ASN A 48 1.821 -4.562 -15.783 1.00 0.00 C ATOM 714 O ASN A 48 1.098 -3.594 -16.051 1.00 0.00 O ATOM 715 CB ASN A 48 -0.147 -5.647 -14.630 1.00 0.00 C ATOM 716 CG ASN A 48 -0.892 -6.944 -14.387 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.754 -7.572 -13.335 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.688 -7.357 -15.347 1.00 0.00 N ATOM 0 H ASN A 48 2.351 -7.548 -14.743 1.00 0.00 H new ATOM 0 HA ASN A 48 1.081 -6.493 -16.188 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.002 -5.130 -13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.752 -4.995 -15.259 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.216 -8.223 -15.235 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.778 -6.812 -16.205 1.00 0.00 H new ATOM 725 N GLU A 49 3.135 -4.541 -15.945 1.00 0.00 N ATOM 726 CA GLU A 49 3.815 -3.367 -16.476 1.00 0.00 C ATOM 727 C GLU A 49 3.756 -3.386 -17.996 1.00 0.00 C ATOM 728 O GLU A 49 3.884 -4.445 -18.614 1.00 0.00 O ATOM 729 CB GLU A 49 5.271 -3.322 -16.008 1.00 0.00 C ATOM 730 CG GLU A 49 5.446 -3.046 -14.526 1.00 0.00 C ATOM 731 CD GLU A 49 4.989 -1.662 -14.139 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.509 -0.675 -14.705 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.114 -1.534 -13.264 1.00 0.00 O ATOM 0 H GLU A 49 3.752 -5.321 -15.717 1.00 0.00 H new ATOM 0 HA GLU A 49 3.311 -2.475 -16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.746 -4.274 -16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.798 -2.553 -16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.884 -3.784 -13.953 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.496 -3.167 -14.259 1.00 0.00 H new ATOM 740 N ILE A 50 3.540 -2.221 -18.592 1.00 0.00 N ATOM 741 CA ILE A 50 3.400 -2.113 -20.039 1.00 0.00 C ATOM 742 C ILE A 50 4.716 -2.437 -20.726 1.00 0.00 C ATOM 743 O ILE A 50 5.745 -1.793 -20.476 1.00 0.00 O ATOM 744 CB ILE A 50 2.924 -0.697 -20.466 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.550 -0.373 -19.858 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.884 -0.560 -21.989 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.436 -1.309 -20.294 1.00 0.00 C ATOM 0 H ILE A 50 3.458 -1.334 -18.094 1.00 0.00 H new ATOM 0 HA ILE A 50 2.642 -2.834 -20.346 1.00 0.00 H new ATOM 0 HB ILE A 50 3.647 0.023 -20.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.630 -0.404 -18.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.278 0.647 -20.128 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.547 0.442 -22.255 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.881 -0.728 -22.396 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.195 -1.296 -22.403 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.498 -1.009 -19.819 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.324 -1.261 -21.377 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.682 -2.329 -19.999 1.00 0.00 H new ATOM 759 N LEU A 51 4.690 -3.432 -21.579 1.00 0.00 N ATOM 760 CA LEU A 51 5.872 -3.830 -22.287 1.00 0.00 C ATOM 761 C LEU A 51 5.780 -3.479 -23.742 1.00 0.00 C ATOM 762 O LEU A 51 4.776 -3.741 -24.390 1.00 0.00 O ATOM 763 CB LEU A 51 6.178 -5.315 -22.111 1.00 0.00 C ATOM 764 CG LEU A 51 6.487 -5.785 -20.700 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.805 -7.263 -20.716 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.638 -4.988 -20.099 1.00 0.00 C ATOM 0 H LEU A 51 3.858 -3.980 -21.797 1.00 0.00 H new ATOM 0 HA LEU A 51 6.700 -3.272 -21.850 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.325 -5.884 -22.480 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.027 -5.565 -22.747 1.00 0.00 H new ATOM 0 HG LEU A 51 5.611 -5.618 -20.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.026 -7.599 -19.703 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.948 -7.815 -21.102 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.670 -7.442 -21.355 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.839 -5.344 -19.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.529 -5.117 -20.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.370 -3.932 -20.065 1.00 0.00 H new ATOM 778 N LEU A 52 6.825 -2.882 -24.242 1.00 0.00 N ATOM 779 CA LEU A 52 6.905 -2.512 -25.631 1.00 0.00 C ATOM 780 C LEU A 52 7.906 -3.430 -26.303 1.00 0.00 C ATOM 781 O LEU A 52 8.915 -3.791 -25.695 1.00 0.00 O ATOM 782 CB LEU A 52 7.393 -1.070 -25.757 1.00 0.00 C ATOM 783 CG LEU A 52 6.599 0.004 -25.001 1.00 0.00 C ATOM 784 CD1 LEU A 52 7.228 1.364 -25.201 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.143 0.023 -25.418 1.00 0.00 C ATOM 0 H LEU A 52 7.651 -2.636 -23.696 1.00 0.00 H new ATOM 0 HA LEU A 52 5.923 -2.598 -26.097 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.427 -1.031 -25.414 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.398 -0.806 -26.814 1.00 0.00 H new ATOM 0 HG LEU A 52 6.632 -0.246 -23.941 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.653 2.114 -24.658 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.251 1.350 -24.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.234 1.610 -26.263 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.615 0.797 -24.860 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.073 0.233 -26.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.692 -0.947 -25.209 1.00 0.00 H new ATOM 797 N GLU A 53 7.638 -3.799 -27.532 1.00 0.00 N ATOM 798 CA GLU A 53 8.498 -4.693 -28.293 1.00 0.00 C ATOM 799 C GLU A 53 9.883 -4.073 -28.468 1.00 0.00 C ATOM 800 O GLU A 53 10.898 -4.768 -28.455 1.00 0.00 O ATOM 801 CB GLU A 53 7.892 -4.985 -29.675 1.00 0.00 C ATOM 802 CG GLU A 53 6.570 -5.765 -29.675 1.00 0.00 C ATOM 803 CD GLU A 53 5.342 -4.916 -29.368 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.481 -3.731 -29.011 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.214 -5.430 -29.472 1.00 0.00 O ATOM 0 H GLU A 53 6.811 -3.488 -28.043 1.00 0.00 H new ATOM 0 HA GLU A 53 8.586 -5.628 -27.740 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.732 -4.037 -30.188 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.622 -5.545 -30.260 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.438 -6.234 -30.650 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.635 -6.568 -28.941 1.00 0.00 H new ATOM 812 N ASN A 54 9.902 -2.765 -28.634 1.00 0.00 N ATOM 813 CA ASN A 54 11.133 -1.993 -28.771 1.00 0.00 C ATOM 814 C ASN A 54 11.963 -2.045 -27.483 1.00 0.00 C ATOM 815 O ASN A 54 13.202 -2.015 -27.519 1.00 0.00 O ATOM 816 CB ASN A 54 10.769 -0.545 -29.111 1.00 0.00 C ATOM 817 CG ASN A 54 11.958 0.375 -29.257 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.589 0.423 -30.308 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.253 1.137 -28.219 1.00 0.00 N ATOM 0 H ASN A 54 9.056 -2.197 -28.679 1.00 0.00 H new ATOM 0 HA ASN A 54 11.738 -2.422 -29.569 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.199 -0.534 -30.040 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.115 -0.154 -28.332 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.030 1.795 -28.274 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.704 1.067 -27.362 1.00 0.00 H new ATOM 826 N GLN A 55 11.270 -2.143 -26.354 1.00 0.00 N ATOM 827 CA GLN A 55 11.905 -2.136 -25.041 1.00 0.00 C ATOM 828 C GLN A 55 12.357 -3.528 -24.617 1.00 0.00 C ATOM 829 O GLN A 55 13.104 -3.676 -23.643 1.00 0.00 O ATOM 830 CB GLN A 55 10.978 -1.536 -23.989 1.00 0.00 C ATOM 831 CG GLN A 55 10.623 -0.087 -24.249 1.00 0.00 C ATOM 832 CD GLN A 55 11.823 0.829 -24.216 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.478 1.052 -25.231 1.00 0.00 O ATOM 834 NE2 GLN A 55 12.118 1.369 -23.054 1.00 0.00 N ATOM 0 H GLN A 55 10.254 -2.229 -26.323 1.00 0.00 H new ATOM 0 HA GLN A 55 12.794 -1.511 -25.122 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.061 -2.124 -23.947 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.453 -1.615 -23.011 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.138 -0.006 -25.222 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.900 0.244 -23.504 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.549 1.158 -22.234 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.916 1.999 -22.972 1.00 0.00 H new ATOM 843 N LEU A 56 11.889 -4.546 -25.326 1.00 0.00 N ATOM 844 CA LEU A 56 12.270 -5.910 -25.016 1.00 0.00 C ATOM 845 C LEU A 56 13.665 -6.161 -25.525 1.00 0.00 C ATOM 846 O LEU A 56 13.928 -5.954 -26.711 1.00 0.00 O ATOM 847 CB LEU A 56 11.323 -6.908 -25.699 1.00 0.00 C ATOM 848 CG LEU A 56 9.839 -6.801 -25.365 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.052 -7.838 -26.146 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.608 -6.968 -23.879 1.00 0.00 C ATOM 0 H LEU A 56 11.249 -4.451 -26.114 1.00 0.00 H new ATOM 0 HA LEU A 56 12.219 -6.045 -23.936 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.435 -6.797 -26.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.654 -7.915 -25.446 1.00 0.00 H new ATOM 0 HG LEU A 56 9.492 -5.808 -25.651 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.994 -7.753 -25.900 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.191 -7.671 -27.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.406 -8.835 -25.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.542 -6.888 -23.665 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.969 -7.947 -23.562 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.146 -6.190 -23.337 1.00 0.00 H new ATOM 862 N PHE A 57 14.551 -6.607 -24.624 1.00 0.00 N ATOM 863 CA PHE A 57 15.936 -6.959 -24.956 1.00 0.00 C ATOM 864 C PHE A 57 16.750 -5.695 -25.335 1.00 0.00 C ATOM 865 O PHE A 57 16.230 -4.783 -25.987 1.00 0.00 O ATOM 866 CB PHE A 57 15.950 -8.023 -26.087 1.00 0.00 C ATOM 867 CG PHE A 57 17.284 -8.659 -26.368 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.794 -9.625 -25.516 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.016 -8.304 -27.488 1.00 0.00 C ATOM 870 CE1 PHE A 57 19.009 -10.218 -25.768 1.00 0.00 C ATOM 871 CE2 PHE A 57 19.233 -8.897 -27.746 1.00 0.00 C ATOM 872 CZ PHE A 57 19.731 -9.854 -26.884 1.00 0.00 C ATOM 0 H PHE A 57 14.324 -6.734 -23.638 1.00 0.00 H new ATOM 0 HA PHE A 57 16.417 -7.393 -24.080 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.240 -8.809 -25.830 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.590 -7.556 -27.004 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.230 -9.916 -24.642 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.630 -7.556 -28.165 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.396 -10.967 -25.093 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.797 -8.613 -28.622 1.00 0.00 H new ATOM 0 HZ PHE A 57 20.686 -10.317 -27.084 1.00 0.00 H new ATOM 882 N PRO A 58 18.028 -5.607 -24.916 1.00 0.00 N ATOM 883 CA PRO A 58 18.874 -4.440 -25.219 1.00 0.00 C ATOM 884 C PRO A 58 19.012 -4.213 -26.717 1.00 0.00 C ATOM 885 O PRO A 58 19.011 -5.164 -27.509 1.00 0.00 O ATOM 886 CB PRO A 58 20.228 -4.811 -24.610 1.00 0.00 C ATOM 887 CG PRO A 58 19.897 -5.809 -23.560 1.00 0.00 C ATOM 888 CD PRO A 58 18.757 -6.607 -24.114 1.00 0.00 C ATOM 0 HA PRO A 58 18.455 -3.516 -24.821 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.900 -5.230 -25.359 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.726 -3.939 -24.187 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.753 -6.447 -23.341 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.617 -5.320 -22.627 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.104 -7.441 -24.724 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.134 -7.027 -23.324 1.00 0.00 H new ATOM 896 N ASP A 59 19.110 -2.956 -27.105 1.00 0.00 N ATOM 897 CA ASP A 59 19.162 -2.599 -28.515 1.00 0.00 C ATOM 898 C ASP A 59 20.490 -2.977 -29.137 1.00 0.00 C ATOM 899 O ASP A 59 21.535 -2.436 -28.784 1.00 0.00 O ATOM 900 CB ASP A 59 18.898 -1.105 -28.717 1.00 0.00 C ATOM 901 CG ASP A 59 18.952 -0.698 -30.179 1.00 0.00 C ATOM 902 OD1 ASP A 59 17.967 -0.938 -30.906 1.00 0.00 O ATOM 903 OD2 ASP A 59 19.984 -0.143 -30.618 1.00 0.00 O ATOM 0 H ASP A 59 19.155 -2.163 -26.466 1.00 0.00 H new ATOM 0 HA ASP A 59 18.376 -3.165 -29.016 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.919 -0.854 -28.309 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.634 -0.530 -28.156 1.00 0.00 H new ATOM 908 N ASN A 60 20.447 -3.924 -30.050 1.00 0.00 N ATOM 909 CA ASN A 60 21.647 -4.360 -30.757 1.00 0.00 C ATOM 910 C ASN A 60 21.647 -3.878 -32.195 1.00 0.00 C ATOM 911 O ASN A 60 22.575 -4.149 -32.953 1.00 0.00 O ATOM 912 CB ASN A 60 21.807 -5.885 -30.717 1.00 0.00 C ATOM 913 CG ASN A 60 22.159 -6.435 -29.343 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.804 -7.566 -29.008 1.00 0.00 O ATOM 915 ND2 ASN A 60 22.864 -5.653 -28.542 1.00 0.00 N ATOM 0 H ASN A 60 19.595 -4.412 -30.325 1.00 0.00 H new ATOM 0 HA ASN A 60 22.496 -3.913 -30.239 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.879 -6.346 -31.055 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.584 -6.177 -31.424 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.131 -5.981 -27.614 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.141 -4.722 -28.853 1.00 0.00 H new ATOM 922 N PHE A 61 20.617 -3.154 -32.576 1.00 0.00 N ATOM 923 CA PHE A 61 20.505 -2.729 -33.949 1.00 0.00 C ATOM 924 C PHE A 61 20.607 -1.221 -34.090 1.00 0.00 C ATOM 925 O PHE A 61 19.603 -0.514 -34.125 1.00 0.00 O ATOM 926 CB PHE A 61 19.216 -3.256 -34.590 1.00 0.00 C ATOM 927 CG PHE A 61 19.178 -4.756 -34.719 1.00 0.00 C ATOM 928 CD1 PHE A 61 19.703 -5.379 -35.841 1.00 0.00 C ATOM 929 CD2 PHE A 61 18.623 -5.538 -33.721 1.00 0.00 C ATOM 930 CE1 PHE A 61 19.682 -6.756 -35.959 1.00 0.00 C ATOM 931 CE2 PHE A 61 18.596 -6.911 -33.832 1.00 0.00 C ATOM 932 CZ PHE A 61 19.123 -7.523 -34.953 1.00 0.00 C ATOM 0 H PHE A 61 19.858 -2.853 -31.964 1.00 0.00 H new ATOM 0 HA PHE A 61 21.350 -3.160 -34.485 1.00 0.00 H new ATOM 0 HB2 PHE A 61 18.364 -2.929 -33.995 1.00 0.00 H new ATOM 0 HB3 PHE A 61 19.103 -2.811 -35.579 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.133 -4.782 -36.631 1.00 0.00 H new ATOM 0 HD2 PHE A 61 18.206 -5.066 -32.844 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.101 -7.231 -36.834 1.00 0.00 H new ATOM 0 HE2 PHE A 61 18.163 -7.508 -33.043 1.00 0.00 H new ATOM 0 HZ PHE A 61 19.098 -8.599 -35.044 1.00 0.00 H new ATOM 942 N ALA A 62 21.826 -0.728 -34.137 1.00 0.00 N ATOM 943 CA ALA A 62 22.064 0.663 -34.466 1.00 0.00 C ATOM 944 C ALA A 62 22.294 0.769 -35.959 1.00 0.00 C ATOM 945 O ALA A 62 22.120 1.824 -36.565 1.00 0.00 O ATOM 946 CB ALA A 62 23.266 1.199 -33.699 1.00 0.00 C ATOM 0 H ALA A 62 22.670 -1.270 -33.951 1.00 0.00 H new ATOM 0 HA ALA A 62 21.199 1.262 -34.182 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.428 2.245 -33.960 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.080 1.117 -32.628 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.152 0.619 -33.959 1.00 0.00 H new ATOM 952 N LYS A 63 22.673 -0.359 -36.528 1.00 0.00 N ATOM 953 CA LYS A 63 22.902 -0.520 -37.944 1.00 0.00 C ATOM 954 C LYS A 63 22.927 -2.011 -38.256 1.00 0.00 C ATOM 955 O LYS A 63 22.330 -2.432 -39.255 1.00 0.00 O ATOM 956 CB LYS A 63 24.210 0.170 -38.433 1.00 0.00 C ATOM 957 CG LYS A 63 25.527 -0.441 -37.941 1.00 0.00 C ATOM 958 CD LYS A 63 25.777 -0.189 -36.462 1.00 0.00 C ATOM 959 CE LYS A 63 27.100 -0.788 -36.019 1.00 0.00 C ATOM 960 NZ LYS A 63 27.096 -2.272 -36.076 1.00 0.00 N ATOM 961 OXT LYS A 63 23.507 -2.770 -37.441 1.00 0.00 O ATOM 0 H LYS A 63 22.834 -1.215 -35.997 1.00 0.00 H new ATOM 0 HA LYS A 63 22.092 -0.027 -38.481 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.215 0.160 -39.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 24.181 1.215 -38.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.515 -1.515 -38.125 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.353 -0.028 -38.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.777 0.884 -36.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.965 -0.619 -35.875 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.900 -0.405 -36.653 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.319 -0.467 -35.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.958 -2.639 -35.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.260 -2.636 -35.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.067 -2.581 -37.069 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 8.918 -18.805 -22.422 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.782 -6.283 -15.328 1.00 0.00 ZN