USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= -0.0146 (180deg=-0.182) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00219) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc=-0.00454 (180deg=-0.00454) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -3.13 (180deg=-4.14) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -1.31 (180deg=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0795) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0127 (180deg=-0.194) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.005) USER MOD Single : A 101 HTS O1 : rot -62:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.279 0.590 10.886 1.00 0.00 N ATOM 2 CA GLY A 1 -16.811 0.907 12.263 1.00 0.00 C ATOM 3 C GLY A 1 -15.386 0.455 12.510 1.00 0.00 C ATOM 4 O GLY A 1 -14.546 1.240 12.950 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.258 0.919 10.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.667 1.067 10.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.239 -0.438 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.882 1.982 12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.471 0.429 12.987 1.00 0.00 H new ATOM 10 N SER A 2 -15.112 -0.814 12.226 1.00 0.00 N ATOM 11 CA SER A 2 -13.778 -1.371 12.421 1.00 0.00 C ATOM 12 C SER A 2 -13.303 -2.095 11.164 1.00 0.00 C ATOM 13 O SER A 2 -12.993 -3.286 11.198 1.00 0.00 O ATOM 14 CB SER A 2 -13.771 -2.330 13.613 1.00 0.00 C ATOM 15 OG SER A 2 -12.557 -2.236 14.337 1.00 0.00 O ATOM 0 H SER A 2 -15.796 -1.476 11.860 1.00 0.00 H new ATOM 0 HA SER A 2 -13.093 -0.548 12.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.609 -2.102 14.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.910 -3.352 13.262 1.00 0.00 H new ATOM 0 HG SER A 2 -12.579 -2.858 15.094 1.00 0.00 H new ATOM 21 N ARG A 3 -13.247 -1.366 10.053 1.00 0.00 N ATOM 22 CA ARG A 3 -12.811 -1.938 8.784 1.00 0.00 C ATOM 23 C ARG A 3 -11.636 -1.153 8.209 1.00 0.00 C ATOM 24 O ARG A 3 -10.663 -1.734 7.730 1.00 0.00 O ATOM 25 CB ARG A 3 -13.968 -1.953 7.784 1.00 0.00 C ATOM 26 CG ARG A 3 -13.739 -2.883 6.603 1.00 0.00 C ATOM 27 CD ARG A 3 -13.409 -2.111 5.333 1.00 0.00 C ATOM 28 NE ARG A 3 -14.356 -2.397 4.258 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.578 -1.873 4.188 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.004 -1.037 5.125 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.375 -2.186 3.176 1.00 0.00 N ATOM 0 H ARG A 3 -13.498 -0.378 10.006 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.485 -2.962 8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.880 -2.253 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.130 -0.941 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.924 -3.570 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.630 -3.489 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.415 -1.042 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.401 -2.365 5.006 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.064 -3.035 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.394 -0.792 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.941 -0.639 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.052 -2.828 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.311 -1.785 3.121 1.00 0.00 H new ATOM 45 N VAL A 4 -11.734 0.172 8.260 1.00 0.00 N ATOM 46 CA VAL A 4 -10.679 1.036 7.745 1.00 0.00 C ATOM 47 C VAL A 4 -9.405 0.900 8.572 1.00 0.00 C ATOM 48 O VAL A 4 -8.299 0.981 8.041 1.00 0.00 O ATOM 49 CB VAL A 4 -11.117 2.512 7.735 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.090 3.369 7.009 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.490 2.659 7.098 1.00 0.00 C ATOM 0 H VAL A 4 -12.533 0.670 8.653 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.480 0.718 6.722 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.182 2.859 8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.417 4.409 7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.127 3.289 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.990 3.023 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.782 3.709 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.456 2.294 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.218 2.079 7.665 1.00 0.00 H new ATOM 61 N LYS A 5 -9.570 0.692 9.874 1.00 0.00 N ATOM 62 CA LYS A 5 -8.430 0.541 10.774 1.00 0.00 C ATOM 63 C LYS A 5 -7.538 -0.612 10.325 1.00 0.00 C ATOM 64 O LYS A 5 -6.318 -0.564 10.476 1.00 0.00 O ATOM 65 CB LYS A 5 -8.911 0.303 12.207 1.00 0.00 C ATOM 66 CG LYS A 5 -9.532 1.531 12.852 1.00 0.00 C ATOM 67 CD LYS A 5 -9.474 1.452 14.369 1.00 0.00 C ATOM 68 CE LYS A 5 -9.872 2.771 15.010 1.00 0.00 C ATOM 69 NZ LYS A 5 -8.695 3.654 15.242 1.00 0.00 N ATOM 0 H LYS A 5 -10.480 0.624 10.330 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.848 1.462 10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.642 -0.506 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.069 -0.029 12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.009 2.425 12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.569 1.627 12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.137 0.661 14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.465 1.184 14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.590 3.284 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.373 2.577 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.009 4.543 15.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.021 3.176 15.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.232 3.860 14.334 1.00 0.00 H new ATOM 83 N ALA A 6 -8.160 -1.646 9.768 1.00 0.00 N ATOM 84 CA ALA A 6 -7.430 -2.813 9.289 1.00 0.00 C ATOM 85 C ALA A 6 -6.726 -2.514 7.970 1.00 0.00 C ATOM 86 O ALA A 6 -5.726 -3.146 7.633 1.00 0.00 O ATOM 87 CB ALA A 6 -8.374 -3.995 9.129 1.00 0.00 C ATOM 0 H ALA A 6 -9.170 -1.699 9.637 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.670 -3.066 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.816 -4.860 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.829 -4.230 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.154 -3.743 8.410 1.00 0.00 H new ATOM 93 N LEU A 7 -7.257 -1.549 7.226 1.00 0.00 N ATOM 94 CA LEU A 7 -6.685 -1.165 5.941 1.00 0.00 C ATOM 95 C LEU A 7 -5.345 -0.454 6.126 1.00 0.00 C ATOM 96 O LEU A 7 -4.476 -0.515 5.256 1.00 0.00 O ATOM 97 CB LEU A 7 -7.657 -0.254 5.186 1.00 0.00 C ATOM 98 CG LEU A 7 -7.762 -0.517 3.685 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.664 0.515 3.024 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.382 -0.508 3.045 1.00 0.00 C ATOM 0 H LEU A 7 -8.086 -1.017 7.493 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.514 -2.072 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.648 -0.361 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.351 0.781 5.337 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.203 -1.503 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.727 0.312 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.660 0.462 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.252 1.512 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.476 -0.697 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.914 0.464 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.766 -1.285 3.498 1.00 0.00 H new ATOM 112 N GLU A 8 -5.189 0.223 7.259 1.00 0.00 N ATOM 113 CA GLU A 8 -3.957 0.949 7.550 1.00 0.00 C ATOM 114 C GLU A 8 -2.864 0.008 8.045 1.00 0.00 C ATOM 115 O GLU A 8 -1.697 0.154 7.682 1.00 0.00 O ATOM 116 CB GLU A 8 -4.221 2.039 8.590 1.00 0.00 C ATOM 117 CG GLU A 8 -5.275 3.047 8.160 1.00 0.00 C ATOM 118 CD GLU A 8 -5.799 3.873 9.318 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.647 3.433 10.477 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.359 4.960 9.066 1.00 0.00 O ATOM 0 H GLU A 8 -5.898 0.284 7.989 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.612 1.411 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.537 1.571 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.289 2.566 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.851 3.712 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.105 2.520 7.689 1.00 0.00 H new ATOM 127 N GLU A 9 -3.246 -0.956 8.876 1.00 0.00 N ATOM 128 CA GLU A 9 -2.294 -1.919 9.420 1.00 0.00 C ATOM 129 C GLU A 9 -1.805 -2.882 8.337 1.00 0.00 C ATOM 130 O GLU A 9 -0.765 -3.522 8.488 1.00 0.00 O ATOM 131 CB GLU A 9 -2.932 -2.701 10.573 1.00 0.00 C ATOM 132 CG GLU A 9 -3.945 -3.746 10.125 1.00 0.00 C ATOM 133 CD GLU A 9 -3.486 -5.163 10.410 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.445 -5.574 9.855 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.169 -5.863 11.187 1.00 0.00 O ATOM 0 H GLU A 9 -4.208 -1.092 9.188 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.433 -1.367 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.145 -3.194 11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.423 -1.999 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.894 -3.567 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.127 -3.635 9.056 1.00 0.00 H new ATOM 142 N LYS A 10 -2.566 -2.983 7.252 1.00 0.00 N ATOM 143 CA LYS A 10 -2.220 -3.869 6.147 1.00 0.00 C ATOM 144 C LYS A 10 -0.985 -3.366 5.407 1.00 0.00 C ATOM 145 O LYS A 10 -0.069 -4.134 5.112 1.00 0.00 O ATOM 146 CB LYS A 10 -3.401 -3.986 5.181 1.00 0.00 C ATOM 147 CG LYS A 10 -4.014 -5.376 5.135 1.00 0.00 C ATOM 148 CD LYS A 10 -3.400 -6.219 4.029 1.00 0.00 C ATOM 149 CE LYS A 10 -4.130 -7.542 3.866 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.204 -8.298 5.147 1.00 0.00 N ATOM 0 H LYS A 10 -3.430 -2.459 7.115 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.992 -4.853 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.169 -3.269 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.069 -3.711 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.868 -5.871 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.090 -5.295 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.431 -5.667 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.350 -6.407 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.138 -7.357 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.621 -8.147 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.554 -9.260 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.257 -8.350 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.852 -7.813 5.800 1.00 0.00 H new ATOM 164 N VAL A 11 -0.971 -2.073 5.103 1.00 0.00 N ATOM 165 CA VAL A 11 0.145 -1.461 4.391 1.00 0.00 C ATOM 166 C VAL A 11 1.378 -1.346 5.275 1.00 0.00 C ATOM 167 O VAL A 11 2.504 -1.368 4.787 1.00 0.00 O ATOM 168 CB VAL A 11 -0.220 -0.063 3.853 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.879 0.468 2.944 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.556 -0.103 3.125 1.00 0.00 C ATOM 0 H VAL A 11 -1.723 -1.426 5.340 1.00 0.00 H new ATOM 0 HA VAL A 11 0.369 -2.118 3.550 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.314 0.617 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.601 1.455 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.812 0.539 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.013 -0.210 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.797 0.892 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.494 -0.799 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.335 -0.432 3.813 1.00 0.00 H new ATOM 180 N LYS A 12 1.157 -1.218 6.574 1.00 0.00 N ATOM 181 CA LYS A 12 2.251 -1.098 7.533 1.00 0.00 C ATOM 182 C LYS A 12 3.134 -2.338 7.495 1.00 0.00 C ATOM 183 O LYS A 12 4.356 -2.248 7.617 1.00 0.00 O ATOM 184 CB LYS A 12 1.702 -0.889 8.945 1.00 0.00 C ATOM 185 CG LYS A 12 2.710 -0.278 9.906 1.00 0.00 C ATOM 186 CD LYS A 12 2.673 -0.960 11.265 1.00 0.00 C ATOM 187 CE LYS A 12 4.050 -1.003 11.904 1.00 0.00 C ATOM 188 NZ LYS A 12 4.553 0.359 12.232 1.00 0.00 N ATOM 0 H LYS A 12 0.227 -1.194 6.992 1.00 0.00 H new ATOM 0 HA LYS A 12 2.853 -0.232 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.825 -0.244 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.369 -1.848 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.712 -0.360 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.501 0.785 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.983 -0.429 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.291 -1.975 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.010 -1.604 12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.749 -1.495 11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.480 0.284 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.648 0.914 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.883 0.832 12.871 1.00 0.00 H new ATOM 202 N ALA A 13 2.509 -3.494 7.300 1.00 0.00 N ATOM 203 CA ALA A 13 3.242 -4.752 7.216 1.00 0.00 C ATOM 204 C ALA A 13 3.813 -4.921 5.815 1.00 0.00 C ATOM 205 O ALA A 13 4.806 -5.617 5.603 1.00 0.00 O ATOM 206 CB ALA A 13 2.336 -5.922 7.570 1.00 0.00 C ATOM 0 H ALA A 13 1.498 -3.586 7.197 1.00 0.00 H new ATOM 0 HA ALA A 13 4.064 -4.732 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.900 -6.852 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.962 -5.798 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.496 -5.955 6.876 1.00 0.00 H new ATOM 212 N LEU A 14 3.166 -4.257 4.867 1.00 0.00 N ATOM 213 CA LEU A 14 3.564 -4.282 3.471 1.00 0.00 C ATOM 214 C LEU A 14 4.925 -3.612 3.278 1.00 0.00 C ATOM 215 O LEU A 14 5.640 -3.899 2.318 1.00 0.00 O ATOM 216 CB LEU A 14 2.494 -3.565 2.645 1.00 0.00 C ATOM 217 CG LEU A 14 2.375 -4.007 1.188 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.934 -3.886 0.721 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.293 -3.185 0.299 1.00 0.00 C ATOM 0 H LEU A 14 2.344 -3.682 5.049 1.00 0.00 H new ATOM 0 HA LEU A 14 3.657 -5.316 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.529 -3.711 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.702 -2.495 2.665 1.00 0.00 H new ATOM 0 HG LEU A 14 2.680 -5.051 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.861 -4.204 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.297 -4.518 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.609 -2.849 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.192 -3.517 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.021 -2.132 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.326 -3.316 0.623 1.00 0.00 H new ATOM 231 N GLU A 15 5.265 -2.710 4.193 1.00 0.00 N ATOM 232 CA GLU A 15 6.524 -1.978 4.133 1.00 0.00 C ATOM 233 C GLU A 15 7.699 -2.855 4.560 1.00 0.00 C ATOM 234 O GLU A 15 8.771 -2.806 3.955 1.00 0.00 O ATOM 235 CB GLU A 15 6.434 -0.730 5.022 1.00 0.00 C ATOM 236 CG GLU A 15 7.763 -0.028 5.245 1.00 0.00 C ATOM 237 CD GLU A 15 7.604 1.323 5.914 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.636 2.040 5.583 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.448 1.666 6.770 1.00 0.00 O ATOM 0 H GLU A 15 4.679 -2.467 4.992 1.00 0.00 H new ATOM 0 HA GLU A 15 6.700 -1.676 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.735 -0.026 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.020 -1.015 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.405 -0.660 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.266 0.102 4.287 1.00 0.00 H new ATOM 246 N GLU A 16 7.495 -3.651 5.603 1.00 0.00 N ATOM 247 CA GLU A 16 8.544 -4.533 6.106 1.00 0.00 C ATOM 248 C GLU A 16 9.083 -5.440 5.002 1.00 0.00 C ATOM 249 O GLU A 16 10.237 -5.864 5.043 1.00 0.00 O ATOM 250 CB GLU A 16 8.011 -5.381 7.263 1.00 0.00 C ATOM 251 CG GLU A 16 7.634 -4.568 8.491 1.00 0.00 C ATOM 252 CD GLU A 16 7.932 -5.297 9.786 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.117 -5.594 10.041 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.979 -5.571 10.546 1.00 0.00 O ATOM 0 H GLU A 16 6.615 -3.705 6.117 1.00 0.00 H new ATOM 0 HA GLU A 16 9.363 -3.909 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.137 -5.936 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.766 -6.116 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.177 -3.623 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.572 -4.326 8.450 1.00 0.00 H new ATOM 261 N LYS A 17 8.238 -5.738 4.020 1.00 0.00 N ATOM 262 CA LYS A 17 8.629 -6.601 2.909 1.00 0.00 C ATOM 263 C LYS A 17 9.519 -5.861 1.912 1.00 0.00 C ATOM 264 O LYS A 17 10.564 -6.369 1.504 1.00 0.00 O ATOM 265 CB LYS A 17 7.388 -7.138 2.196 1.00 0.00 C ATOM 266 CG LYS A 17 7.655 -8.389 1.372 1.00 0.00 C ATOM 267 CD LYS A 17 6.769 -9.546 1.808 1.00 0.00 C ATOM 268 CE LYS A 17 7.508 -10.494 2.738 1.00 0.00 C ATOM 269 NZ LYS A 17 6.992 -11.887 2.637 1.00 0.00 N ATOM 0 H LYS A 17 7.279 -5.395 3.970 1.00 0.00 H new ATOM 0 HA LYS A 17 9.200 -7.433 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.620 -7.358 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.989 -6.361 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.482 -8.175 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.702 -8.674 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.883 -9.158 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.423 -10.092 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.571 -10.483 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.410 -10.144 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.522 -12.502 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.984 -11.903 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.109 -12.231 1.662 1.00 0.00 H new ATOM 283 N VAL A 18 9.096 -4.665 1.515 1.00 0.00 N ATOM 284 CA VAL A 18 9.851 -3.865 0.555 1.00 0.00 C ATOM 285 C VAL A 18 11.150 -3.344 1.161 1.00 0.00 C ATOM 286 O VAL A 18 12.213 -3.447 0.551 1.00 0.00 O ATOM 287 CB VAL A 18 9.033 -2.667 0.044 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.657 -2.092 -1.218 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.586 -3.066 -0.203 1.00 0.00 C ATOM 0 H VAL A 18 8.235 -4.228 1.843 1.00 0.00 H new ATOM 0 HA VAL A 18 10.079 -4.527 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 18 9.044 -1.894 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.064 -1.245 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.673 -1.760 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.682 -2.858 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.027 -2.203 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.550 -3.860 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.143 -3.422 0.727 1.00 0.00 H new ATOM 299 N LYS A 19 11.058 -2.780 2.362 1.00 0.00 N ATOM 300 CA LYS A 19 12.230 -2.238 3.043 1.00 0.00 C ATOM 301 C LYS A 19 13.363 -3.261 3.093 1.00 0.00 C ATOM 302 O LYS A 19 14.539 -2.896 3.120 1.00 0.00 O ATOM 303 CB LYS A 19 11.865 -1.799 4.461 1.00 0.00 C ATOM 304 CG LYS A 19 10.932 -0.602 4.504 1.00 0.00 C ATOM 305 CD LYS A 19 11.289 0.343 5.639 1.00 0.00 C ATOM 306 CE LYS A 19 12.159 1.491 5.155 1.00 0.00 C ATOM 307 NZ LYS A 19 13.515 1.028 4.752 1.00 0.00 N ATOM 0 H LYS A 19 10.186 -2.686 2.883 1.00 0.00 H new ATOM 0 HA LYS A 19 12.574 -1.373 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.396 -2.634 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.778 -1.557 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.981 -0.067 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.904 -0.945 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.377 0.739 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.813 -0.207 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.676 1.981 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.250 2.236 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.077 1.841 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.986 0.583 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.430 0.336 3.980 1.00 0.00 H new ATOM 321 N ALA A 20 13.002 -4.540 3.103 1.00 0.00 N ATOM 322 CA ALA A 20 13.989 -5.612 3.146 1.00 0.00 C ATOM 323 C ALA A 20 14.364 -6.077 1.741 1.00 0.00 C ATOM 324 O ALA A 20 15.318 -6.834 1.561 1.00 0.00 O ATOM 325 CB ALA A 20 13.463 -6.779 3.967 1.00 0.00 C ATOM 0 H ALA A 20 12.033 -4.859 3.082 1.00 0.00 H new ATOM 0 HA ALA A 20 14.889 -5.222 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.210 -7.573 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.256 -6.445 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.546 -7.157 3.516 1.00 0.00 H new ATOM 331 N LEU A 21 13.604 -5.625 0.749 1.00 0.00 N ATOM 332 CA LEU A 21 13.843 -5.990 -0.633 1.00 0.00 C ATOM 333 C LEU A 21 15.082 -5.278 -1.177 1.00 0.00 C ATOM 334 O LEU A 21 15.931 -4.822 -0.411 1.00 0.00 O ATOM 335 CB LEU A 21 12.606 -5.632 -1.464 1.00 0.00 C ATOM 336 CG LEU A 21 12.007 -6.758 -2.324 1.00 0.00 C ATOM 337 CD1 LEU A 21 13.015 -7.871 -2.573 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.754 -7.317 -1.664 1.00 0.00 C ATOM 0 H LEU A 21 12.810 -4.999 0.884 1.00 0.00 H new ATOM 0 HA LEU A 21 14.025 -7.063 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.832 -5.272 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.865 -4.802 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 21 11.740 -6.331 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.555 -8.648 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.883 -7.466 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.329 -8.297 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.341 -8.113 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.007 -7.716 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.016 -6.523 -1.554 1.00 0.00 H new ATOM 350 N GLY A 22 15.181 -5.184 -2.500 1.00 0.00 N ATOM 351 CA GLY A 22 16.319 -4.525 -3.116 1.00 0.00 C ATOM 352 C GLY A 22 15.921 -3.289 -3.900 1.00 0.00 C ATOM 353 O GLY A 22 15.389 -2.334 -3.336 1.00 0.00 O ATOM 0 H GLY A 22 14.493 -5.553 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.035 -4.246 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.824 -5.226 -3.781 1.00 0.00 H new ATOM 357 N GLY A 23 16.179 -3.309 -5.204 1.00 0.00 N ATOM 358 CA GLY A 23 15.837 -2.177 -6.045 1.00 0.00 C ATOM 359 C GLY A 23 16.326 -2.344 -7.471 1.00 0.00 C ATOM 360 O GLY A 23 17.002 -3.320 -7.792 1.00 0.00 O ATOM 0 H GLY A 23 16.619 -4.089 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.755 -2.045 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.267 -1.270 -5.621 1.00 0.00 H new ATOM 364 N GLY A 24 15.983 -1.387 -8.328 1.00 0.00 N ATOM 365 CA GLY A 24 16.400 -1.451 -9.717 1.00 0.00 C ATOM 366 C GLY A 24 15.307 -1.011 -10.673 1.00 0.00 C ATOM 367 O GLY A 24 15.590 -0.514 -11.763 1.00 0.00 O ATOM 0 H GLY A 24 15.424 -0.569 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.278 -0.820 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.699 -2.472 -9.957 1.00 0.00 H new ATOM 371 N GLY A 25 14.057 -1.196 -10.263 1.00 0.00 N ATOM 372 CA GLY A 25 12.936 -0.810 -11.101 1.00 0.00 C ATOM 373 C GLY A 25 11.605 -1.247 -10.523 1.00 0.00 C ATOM 374 O GLY A 25 10.776 -0.415 -10.156 1.00 0.00 O ATOM 0 H GLY A 25 13.800 -1.606 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.936 0.273 -11.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.060 -1.247 -12.092 1.00 0.00 H new ATOM 378 N ARG A 26 11.401 -2.559 -10.440 1.00 0.00 N ATOM 379 CA ARG A 26 10.163 -3.109 -9.900 1.00 0.00 C ATOM 380 C ARG A 26 9.907 -2.592 -8.488 1.00 0.00 C ATOM 381 O ARG A 26 8.908 -1.922 -8.231 1.00 0.00 O ATOM 382 CB ARG A 26 10.231 -4.640 -9.884 1.00 0.00 C ATOM 383 CG ARG A 26 8.908 -5.327 -10.197 1.00 0.00 C ATOM 384 CD ARG A 26 7.738 -4.667 -9.482 1.00 0.00 C ATOM 385 NE ARG A 26 7.136 -3.603 -10.283 1.00 0.00 N ATOM 386 CZ ARG A 26 6.420 -3.819 -11.384 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.214 -5.056 -11.819 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.908 -2.794 -12.052 1.00 0.00 N ATOM 0 H ARG A 26 12.078 -3.261 -10.740 1.00 0.00 H new ATOM 0 HA ARG A 26 9.341 -2.789 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.977 -4.967 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.574 -4.967 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.734 -5.305 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.966 -6.375 -9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.983 -5.419 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.079 -4.256 -8.532 1.00 0.00 H new ATOM 0 HE ARG A 26 7.273 -2.638 -9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.605 -5.848 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.664 -5.215 -12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.063 -1.841 -11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.359 -2.958 -12.896 1.00 0.00 H new ATOM 402 N ILE A 27 10.819 -2.916 -7.578 1.00 0.00 N ATOM 403 CA ILE A 27 10.703 -2.496 -6.187 1.00 0.00 C ATOM 404 C ILE A 27 10.684 -0.975 -6.061 1.00 0.00 C ATOM 405 O ILE A 27 10.085 -0.431 -5.135 1.00 0.00 O ATOM 406 CB ILE A 27 11.856 -3.061 -5.334 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.962 -4.576 -5.519 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.655 -2.716 -3.864 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.383 -5.093 -5.480 1.00 0.00 C ATOM 0 H ILE A 27 11.651 -3.471 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 27 9.757 -2.893 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 27 12.788 -2.604 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.383 -5.070 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.511 -4.850 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.479 -3.124 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.626 -1.633 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.715 -3.144 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.381 -6.174 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.962 -4.627 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.832 -4.851 -4.517 1.00 0.00 H new ATOM 421 N GLU A 28 11.348 -0.295 -6.989 1.00 0.00 N ATOM 422 CA GLU A 28 11.409 1.163 -6.970 1.00 0.00 C ATOM 423 C GLU A 28 10.012 1.777 -7.044 1.00 0.00 C ATOM 424 O GLU A 28 9.622 2.560 -6.179 1.00 0.00 O ATOM 425 CB GLU A 28 12.265 1.673 -8.131 1.00 0.00 C ATOM 426 CG GLU A 28 13.171 2.834 -7.755 1.00 0.00 C ATOM 427 CD GLU A 28 14.564 2.699 -8.338 1.00 0.00 C ATOM 428 OE1 GLU A 28 15.200 1.647 -8.121 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.018 3.646 -9.014 1.00 0.00 O ATOM 0 H GLU A 28 11.851 -0.729 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 28 11.865 1.466 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.876 0.853 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.610 1.983 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.725 3.766 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.240 2.899 -6.669 1.00 0.00 H new ATOM 436 N GLU A 29 9.263 1.417 -8.082 1.00 0.00 N ATOM 437 CA GLU A 29 7.910 1.935 -8.265 1.00 0.00 C ATOM 438 C GLU A 29 7.027 1.590 -7.070 1.00 0.00 C ATOM 439 O GLU A 29 6.105 2.332 -6.730 1.00 0.00 O ATOM 440 CB GLU A 29 7.294 1.370 -9.549 1.00 0.00 C ATOM 441 CG GLU A 29 5.857 1.814 -9.785 1.00 0.00 C ATOM 442 CD GLU A 29 5.717 2.722 -10.992 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.242 2.365 -12.067 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.082 3.789 -10.860 1.00 0.00 O ATOM 0 H GLU A 29 9.569 0.770 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 29 7.972 3.020 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.904 1.676 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.327 0.281 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.227 0.935 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.491 2.334 -8.900 1.00 0.00 H new ATOM 451 N LEU A 30 7.315 0.458 -6.440 1.00 0.00 N ATOM 452 CA LEU A 30 6.551 0.005 -5.284 1.00 0.00 C ATOM 453 C LEU A 30 6.819 0.879 -4.063 1.00 0.00 C ATOM 454 O LEU A 30 6.019 0.909 -3.131 1.00 0.00 O ATOM 455 CB LEU A 30 6.902 -1.447 -4.957 1.00 0.00 C ATOM 456 CG LEU A 30 6.251 -2.495 -5.861 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.218 -3.633 -6.141 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.975 -3.025 -5.228 1.00 0.00 C ATOM 0 H LEU A 30 8.075 -0.166 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 30 5.493 0.080 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.984 -1.564 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.613 -1.650 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 30 5.995 -2.020 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.737 -4.369 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.107 -3.242 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.505 -4.106 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.525 -3.770 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.209 -3.483 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.275 -2.203 -5.078 1.00 0.00 H new ATOM 470 N LYS A 31 7.955 1.571 -4.065 1.00 0.00 N ATOM 471 CA LYS A 31 8.339 2.426 -2.947 1.00 0.00 C ATOM 472 C LYS A 31 7.602 3.764 -2.966 1.00 0.00 C ATOM 473 O LYS A 31 6.907 4.108 -2.015 1.00 0.00 O ATOM 474 CB LYS A 31 9.848 2.667 -2.974 1.00 0.00 C ATOM 475 CG LYS A 31 10.350 3.514 -1.816 1.00 0.00 C ATOM 476 CD LYS A 31 11.673 2.993 -1.280 1.00 0.00 C ATOM 477 CE LYS A 31 12.469 4.092 -0.595 1.00 0.00 C ATOM 478 NZ LYS A 31 13.936 3.914 -0.782 1.00 0.00 N ATOM 0 H LYS A 31 8.628 1.556 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 31 8.060 1.910 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.361 1.706 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.113 3.155 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.470 4.547 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.608 3.517 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.487 2.183 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.259 2.574 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.167 5.061 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.237 4.099 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.443 4.683 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.229 3.001 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.161 3.933 -1.797 1.00 0.00 H new ATOM 492 N LYS A 32 7.773 4.520 -4.044 1.00 0.00 N ATOM 493 CA LYS A 32 7.137 5.831 -4.171 1.00 0.00 C ATOM 494 C LYS A 32 5.628 5.756 -3.936 1.00 0.00 C ATOM 495 O LYS A 32 5.034 6.669 -3.366 1.00 0.00 O ATOM 496 CB LYS A 32 7.420 6.420 -5.556 1.00 0.00 C ATOM 497 CG LYS A 32 8.379 7.598 -5.532 1.00 0.00 C ATOM 498 CD LYS A 32 8.099 8.568 -6.669 1.00 0.00 C ATOM 499 CE LYS A 32 9.134 9.679 -6.720 1.00 0.00 C ATOM 500 NZ LYS A 32 8.691 10.813 -7.578 1.00 0.00 N ATOM 0 H LYS A 32 8.346 4.250 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 32 7.561 6.479 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.832 5.640 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.479 6.737 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.293 8.119 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.404 7.235 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.095 8.029 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.106 9.000 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.327 10.042 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.075 9.281 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.425 11.550 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.531 10.473 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.807 11.209 -7.200 1.00 0.00 H new ATOM 514 N LYS A 33 5.016 4.671 -4.392 1.00 0.00 N ATOM 515 CA LYS A 33 3.576 4.478 -4.248 1.00 0.00 C ATOM 516 C LYS A 33 3.206 3.939 -2.866 1.00 0.00 C ATOM 517 O LYS A 33 2.076 4.111 -2.410 1.00 0.00 O ATOM 518 CB LYS A 33 3.064 3.529 -5.332 1.00 0.00 C ATOM 519 CG LYS A 33 1.608 3.758 -5.705 1.00 0.00 C ATOM 520 CD LYS A 33 1.136 2.755 -6.743 1.00 0.00 C ATOM 521 CE LYS A 33 0.985 1.364 -6.145 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.411 1.100 -5.703 1.00 0.00 N ATOM 0 H LYS A 33 5.496 3.907 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 33 3.101 5.453 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.681 3.643 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.185 2.501 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.986 3.680 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.485 4.769 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.181 3.080 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.847 2.722 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.280 0.618 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.661 1.258 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.604 0.079 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.533 1.428 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.073 1.608 -6.323 1.00 0.00 H new ATOM 536 N CYS A 34 4.147 3.260 -2.220 1.00 0.00 N ATOM 537 CA CYS A 34 3.906 2.666 -0.903 1.00 0.00 C ATOM 538 C CYS A 34 3.614 3.718 0.170 1.00 0.00 C ATOM 539 O CYS A 34 2.576 3.671 0.829 1.00 0.00 O ATOM 540 CB CYS A 34 5.124 1.841 -0.481 1.00 0.00 C ATOM 541 SG CYS A 34 4.747 0.104 -0.088 1.00 0.00 S ATOM 0 H CYS A 34 5.087 3.105 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 34 3.024 2.032 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.863 1.869 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.581 2.308 0.391 1.00 0.00 H new ATOM 546 N GLU A 35 4.547 4.645 0.360 1.00 0.00 N ATOM 547 CA GLU A 35 4.402 5.685 1.376 1.00 0.00 C ATOM 548 C GLU A 35 3.273 6.655 1.045 1.00 0.00 C ATOM 549 O GLU A 35 2.507 7.042 1.923 1.00 0.00 O ATOM 550 CB GLU A 35 5.713 6.452 1.544 1.00 0.00 C ATOM 551 CG GLU A 35 6.291 6.953 0.236 1.00 0.00 C ATOM 552 CD GLU A 35 6.527 8.451 0.234 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.534 9.209 0.206 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.705 8.867 0.262 1.00 0.00 O ATOM 0 H GLU A 35 5.413 4.699 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 35 4.149 5.188 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.546 7.301 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.443 5.806 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.233 6.441 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.613 6.695 -0.578 1.00 0.00 H new ATOM 561 N GLU A 36 3.175 7.049 -0.217 1.00 0.00 N ATOM 562 CA GLU A 36 2.135 7.979 -0.646 1.00 0.00 C ATOM 563 C GLU A 36 0.746 7.419 -0.353 1.00 0.00 C ATOM 564 O GLU A 36 -0.212 8.168 -0.158 1.00 0.00 O ATOM 565 CB GLU A 36 2.274 8.278 -2.141 1.00 0.00 C ATOM 566 CG GLU A 36 1.384 9.414 -2.618 1.00 0.00 C ATOM 567 CD GLU A 36 0.708 9.108 -3.940 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.387 7.926 -4.184 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.497 10.052 -4.732 1.00 0.00 O ATOM 0 H GLU A 36 3.800 6.741 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 36 2.257 8.905 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.313 8.525 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.035 7.378 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.624 9.617 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.981 10.320 -2.720 1.00 0.00 H new ATOM 576 N LEU A 37 0.647 6.096 -0.341 1.00 0.00 N ATOM 577 CA LEU A 37 -0.618 5.415 -0.092 1.00 0.00 C ATOM 578 C LEU A 37 -1.060 5.567 1.365 1.00 0.00 C ATOM 579 O LEU A 37 -2.221 5.875 1.639 1.00 0.00 O ATOM 580 CB LEU A 37 -0.483 3.933 -0.456 1.00 0.00 C ATOM 581 CG LEU A 37 -1.592 3.012 0.064 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.959 3.668 -0.092 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.551 1.673 -0.661 1.00 0.00 C ATOM 0 H LEU A 37 1.435 5.468 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.384 5.875 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.446 3.848 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.472 3.571 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.423 2.836 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.730 2.996 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.982 4.599 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.143 3.879 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.344 1.029 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.694 1.833 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.585 1.197 -0.492 1.00 0.00 H new ATOM 595 N LYS A 38 -0.137 5.339 2.294 1.00 0.00 N ATOM 596 CA LYS A 38 -0.443 5.440 3.719 1.00 0.00 C ATOM 597 C LYS A 38 -1.009 6.815 4.072 1.00 0.00 C ATOM 598 O LYS A 38 -2.116 6.925 4.599 1.00 0.00 O ATOM 599 CB LYS A 38 0.812 5.162 4.549 1.00 0.00 C ATOM 600 CG LYS A 38 0.613 4.090 5.610 1.00 0.00 C ATOM 601 CD LYS A 38 1.614 4.234 6.747 1.00 0.00 C ATOM 602 CE LYS A 38 2.561 3.046 6.813 1.00 0.00 C ATOM 603 NZ LYS A 38 2.179 2.090 7.888 1.00 0.00 N ATOM 0 H LYS A 38 0.829 5.083 2.087 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.202 4.693 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.619 4.857 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.130 6.086 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.400 4.153 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.717 3.104 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.188 5.151 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.080 4.328 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.564 2.530 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.577 3.401 6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.021 1.566 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.777 2.614 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.472 1.421 7.522 1.00 0.00 H new ATOM 617 N LYS A 39 -0.239 7.859 3.783 1.00 0.00 N ATOM 618 CA LYS A 39 -0.651 9.229 4.071 1.00 0.00 C ATOM 619 C LYS A 39 -2.039 9.524 3.509 1.00 0.00 C ATOM 620 O LYS A 39 -2.763 10.369 4.035 1.00 0.00 O ATOM 621 CB LYS A 39 0.367 10.216 3.494 1.00 0.00 C ATOM 622 CG LYS A 39 0.446 10.191 1.976 1.00 0.00 C ATOM 623 CD LYS A 39 1.631 10.996 1.468 1.00 0.00 C ATOM 624 CE LYS A 39 1.343 11.623 0.112 1.00 0.00 C ATOM 625 NZ LYS A 39 1.265 13.108 0.192 1.00 0.00 N ATOM 0 H LYS A 39 0.680 7.782 3.347 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.695 9.345 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.108 11.224 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.351 9.991 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.530 9.160 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.476 10.593 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.875 11.778 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.505 10.349 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.124 11.338 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.404 11.231 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.067 13.497 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.503 13.381 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.170 13.485 0.539 1.00 0.00 H new ATOM 639 N LYS A 40 -2.403 8.827 2.438 1.00 0.00 N ATOM 640 CA LYS A 40 -3.706 9.023 1.809 1.00 0.00 C ATOM 641 C LYS A 40 -4.828 8.496 2.698 1.00 0.00 C ATOM 642 O LYS A 40 -5.947 9.004 2.662 1.00 0.00 O ATOM 643 CB LYS A 40 -3.749 8.329 0.446 1.00 0.00 C ATOM 644 CG LYS A 40 -5.039 8.572 -0.319 1.00 0.00 C ATOM 645 CD LYS A 40 -4.860 8.321 -1.807 1.00 0.00 C ATOM 646 CE LYS A 40 -5.620 9.342 -2.640 1.00 0.00 C ATOM 647 NZ LYS A 40 -4.724 10.409 -3.166 1.00 0.00 N ATOM 0 H LYS A 40 -1.817 8.124 1.988 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.854 10.094 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.909 8.675 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.618 7.256 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.822 7.920 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.370 9.598 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.800 8.361 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.209 7.318 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.111 8.838 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.405 9.794 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.281 11.084 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.274 10.908 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.990 9.981 -3.766 1.00 0.00 H new ATOM 661 N ILE A 41 -4.524 7.478 3.497 1.00 0.00 N ATOM 662 CA ILE A 41 -5.512 6.893 4.395 1.00 0.00 C ATOM 663 C ILE A 41 -5.756 7.801 5.595 1.00 0.00 C ATOM 664 O ILE A 41 -6.861 7.851 6.134 1.00 0.00 O ATOM 665 CB ILE A 41 -5.072 5.503 4.896 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.505 4.673 3.739 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.243 4.785 5.551 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.162 3.249 4.123 1.00 0.00 C ATOM 0 H ILE A 41 -3.603 7.042 3.541 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.435 6.783 3.825 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.287 5.631 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.231 4.656 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.609 5.163 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.919 3.805 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.602 5.371 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.047 4.664 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.767 2.723 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.413 3.256 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.059 2.741 4.477 1.00 0.00 H new ATOM 680 N GLU A 42 -4.717 8.521 6.004 1.00 0.00 N ATOM 681 CA GLU A 42 -4.819 9.434 7.135 1.00 0.00 C ATOM 682 C GLU A 42 -5.697 10.629 6.779 1.00 0.00 C ATOM 683 O GLU A 42 -6.383 11.188 7.635 1.00 0.00 O ATOM 684 CB GLU A 42 -3.427 9.911 7.561 1.00 0.00 C ATOM 685 CG GLU A 42 -2.953 9.307 8.874 1.00 0.00 C ATOM 686 CD GLU A 42 -2.892 10.325 9.996 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.966 10.742 10.479 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.770 10.707 10.391 1.00 0.00 O ATOM 0 H GLU A 42 -3.795 8.490 5.569 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.278 8.901 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.711 9.663 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.436 10.997 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.624 8.497 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.965 8.868 8.732 1.00 0.00 H new ATOM 695 N GLU A 43 -5.673 11.010 5.505 1.00 0.00 N ATOM 696 CA GLU A 43 -6.470 12.133 5.027 1.00 0.00 C ATOM 697 C GLU A 43 -7.937 11.732 4.895 1.00 0.00 C ATOM 698 O GLU A 43 -8.836 12.559 5.043 1.00 0.00 O ATOM 699 CB GLU A 43 -5.929 12.636 3.682 1.00 0.00 C ATOM 700 CG GLU A 43 -6.236 11.725 2.501 1.00 0.00 C ATOM 701 CD GLU A 43 -6.828 12.477 1.324 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.512 13.497 1.554 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.607 12.047 0.173 1.00 0.00 O ATOM 0 H GLU A 43 -5.110 10.557 4.786 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.399 12.941 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.346 13.623 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.849 12.757 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.321 11.225 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.931 10.947 2.818 1.00 0.00 H new ATOM 710 N LEU A 44 -8.161 10.456 4.612 1.00 0.00 N ATOM 711 CA LEU A 44 -9.509 9.925 4.453 1.00 0.00 C ATOM 712 C LEU A 44 -10.303 10.060 5.748 1.00 0.00 C ATOM 713 O LEU A 44 -9.730 10.201 6.828 1.00 0.00 O ATOM 714 CB LEU A 44 -9.445 8.456 4.024 1.00 0.00 C ATOM 715 CG LEU A 44 -9.593 8.213 2.521 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.590 6.722 2.219 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.865 8.862 1.998 1.00 0.00 C ATOM 0 H LEU A 44 -7.421 9.765 4.487 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.017 10.502 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.493 8.039 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.230 7.907 4.544 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.742 8.668 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.696 6.568 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.651 6.284 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.421 6.244 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.953 8.679 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.728 8.437 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.827 9.936 2.180 1.00 0.00 H new ATOM 729 N GLY A 45 -11.626 10.016 5.632 1.00 0.00 N ATOM 730 CA GLY A 45 -12.476 10.133 6.801 1.00 0.00 C ATOM 731 C GLY A 45 -13.712 9.260 6.709 1.00 0.00 C ATOM 732 O GLY A 45 -13.779 8.200 7.333 1.00 0.00 O ATOM 0 H GLY A 45 -12.124 9.901 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.907 9.859 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.778 11.173 6.924 1.00 0.00 H new ATOM 736 N GLY A 46 -14.691 9.705 5.929 1.00 0.00 N ATOM 737 CA GLY A 46 -15.917 8.944 5.771 1.00 0.00 C ATOM 738 C GLY A 46 -16.501 9.070 4.378 1.00 0.00 C ATOM 739 O GLY A 46 -16.163 9.993 3.637 1.00 0.00 O ATOM 0 H GLY A 46 -14.658 10.579 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.719 7.894 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.650 9.286 6.501 1.00 0.00 H new ATOM 743 N GLY A 47 -17.380 8.140 4.020 1.00 0.00 N ATOM 744 CA GLY A 47 -17.999 8.168 2.707 1.00 0.00 C ATOM 745 C GLY A 47 -17.625 6.965 1.865 1.00 0.00 C ATOM 746 O GLY A 47 -17.178 5.946 2.390 1.00 0.00 O ATOM 0 H GLY A 47 -17.675 7.367 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.082 8.206 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.701 9.078 2.187 1.00 0.00 H new ATOM 750 N GLY A 48 -17.809 7.083 0.553 1.00 0.00 N ATOM 751 CA GLY A 48 -17.481 5.989 -0.342 1.00 0.00 C ATOM 752 C GLY A 48 -16.128 6.162 -1.004 1.00 0.00 C ATOM 753 O GLY A 48 -15.881 5.614 -2.078 1.00 0.00 O ATOM 0 H GLY A 48 -18.179 7.916 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.491 5.053 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.250 5.910 -1.111 1.00 0.00 H new ATOM 757 N GLU A 49 -15.249 6.927 -0.363 1.00 0.00 N ATOM 758 CA GLU A 49 -13.915 7.169 -0.896 1.00 0.00 C ATOM 759 C GLU A 49 -12.934 6.103 -0.420 1.00 0.00 C ATOM 760 O GLU A 49 -11.942 5.814 -1.091 1.00 0.00 O ATOM 761 CB GLU A 49 -13.422 8.555 -0.477 1.00 0.00 C ATOM 762 CG GLU A 49 -12.324 9.104 -1.371 1.00 0.00 C ATOM 763 CD GLU A 49 -12.423 10.604 -1.563 1.00 0.00 C ATOM 764 OE1 GLU A 49 -13.377 11.055 -2.232 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.547 11.328 -1.046 1.00 0.00 O ATOM 0 H GLU A 49 -15.438 7.389 0.526 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.972 7.122 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.264 9.248 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.055 8.507 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.353 8.860 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.373 8.613 -2.343 1.00 0.00 H new ATOM 772 N VAL A 50 -13.215 5.520 0.742 1.00 0.00 N ATOM 773 CA VAL A 50 -12.357 4.484 1.307 1.00 0.00 C ATOM 774 C VAL A 50 -12.160 3.329 0.329 1.00 0.00 C ATOM 775 O VAL A 50 -11.180 2.590 0.419 1.00 0.00 O ATOM 776 CB VAL A 50 -12.935 3.933 2.624 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.936 3.007 3.300 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.330 5.072 3.552 1.00 0.00 C ATOM 0 H VAL A 50 -14.031 5.748 1.311 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.393 4.951 1.507 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.831 3.356 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.362 2.628 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.708 2.172 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.021 3.557 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.736 4.663 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.453 5.678 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.084 5.692 3.067 1.00 0.00 H new ATOM 788 N LYS A 51 -13.097 3.177 -0.602 1.00 0.00 N ATOM 789 CA LYS A 51 -13.022 2.109 -1.593 1.00 0.00 C ATOM 790 C LYS A 51 -11.940 2.400 -2.627 1.00 0.00 C ATOM 791 O LYS A 51 -11.305 1.485 -3.151 1.00 0.00 O ATOM 792 CB LYS A 51 -14.373 1.934 -2.288 1.00 0.00 C ATOM 793 CG LYS A 51 -14.446 0.700 -3.173 1.00 0.00 C ATOM 794 CD LYS A 51 -15.841 0.505 -3.745 1.00 0.00 C ATOM 795 CE LYS A 51 -16.042 -0.914 -4.253 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.730 -0.938 -5.573 1.00 0.00 N ATOM 0 H LYS A 51 -13.916 3.779 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.765 1.185 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.156 1.876 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.578 2.817 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.728 0.792 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.162 -0.180 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.584 0.727 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.003 1.211 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.075 -1.410 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.627 -1.480 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.848 -1.923 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.663 -0.488 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.159 -0.420 -6.271 1.00 0.00 H new ATOM 810 N LYS A 52 -11.734 3.682 -2.918 1.00 0.00 N ATOM 811 CA LYS A 52 -10.728 4.092 -3.891 1.00 0.00 C ATOM 812 C LYS A 52 -9.324 3.760 -3.393 1.00 0.00 C ATOM 813 O LYS A 52 -8.574 3.044 -4.056 1.00 0.00 O ATOM 814 CB LYS A 52 -10.847 5.594 -4.170 1.00 0.00 C ATOM 815 CG LYS A 52 -9.708 6.156 -5.006 1.00 0.00 C ATOM 816 CD LYS A 52 -9.667 5.525 -6.387 1.00 0.00 C ATOM 817 CE LYS A 52 -8.460 6.000 -7.182 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.770 7.212 -7.989 1.00 0.00 N ATOM 0 H LYS A 52 -12.250 4.453 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.902 3.543 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.790 5.785 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.886 6.128 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.824 7.236 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.760 5.981 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.637 4.440 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.580 5.772 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.639 6.218 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.122 5.201 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.922 7.504 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.537 6.997 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.068 7.983 -7.357 1.00 0.00 H new ATOM 832 N VAL A 53 -8.977 4.283 -2.222 1.00 0.00 N ATOM 833 CA VAL A 53 -7.665 4.041 -1.633 1.00 0.00 C ATOM 834 C VAL A 53 -7.414 2.549 -1.445 1.00 0.00 C ATOM 835 O VAL A 53 -6.270 2.095 -1.464 1.00 0.00 O ATOM 836 CB VAL A 53 -7.517 4.751 -0.275 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.086 4.648 0.229 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.950 6.205 -0.383 1.00 0.00 C ATOM 0 H VAL A 53 -9.587 4.878 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.928 4.446 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.167 4.256 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.001 5.156 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.817 3.598 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.413 5.116 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.839 6.691 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.329 6.716 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.994 6.252 -0.694 1.00 0.00 H new ATOM 848 N GLU A 54 -8.489 1.788 -1.265 1.00 0.00 N ATOM 849 CA GLU A 54 -8.383 0.347 -1.078 1.00 0.00 C ATOM 850 C GLU A 54 -7.805 -0.315 -2.324 1.00 0.00 C ATOM 851 O GLU A 54 -6.974 -1.219 -2.233 1.00 0.00 O ATOM 852 CB GLU A 54 -9.753 -0.251 -0.756 1.00 0.00 C ATOM 853 CG GLU A 54 -9.691 -1.696 -0.286 1.00 0.00 C ATOM 854 CD GLU A 54 -10.729 -2.573 -0.960 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.468 -3.042 -2.088 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.801 -2.793 -0.358 1.00 0.00 O ATOM 0 H GLU A 54 -9.444 2.147 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.711 0.160 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.232 0.353 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.383 -0.193 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.697 -2.097 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.838 -1.730 0.794 1.00 0.00 H new ATOM 863 N GLU A 55 -8.249 0.148 -3.488 1.00 0.00 N ATOM 864 CA GLU A 55 -7.775 -0.392 -4.757 1.00 0.00 C ATOM 865 C GLU A 55 -6.312 -0.025 -4.989 1.00 0.00 C ATOM 866 O GLU A 55 -5.581 -0.741 -5.670 1.00 0.00 O ATOM 867 CB GLU A 55 -8.634 0.134 -5.909 1.00 0.00 C ATOM 868 CG GLU A 55 -8.226 -0.408 -7.268 1.00 0.00 C ATOM 869 CD GLU A 55 -9.417 -0.800 -8.122 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.150 0.106 -8.569 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.615 -2.013 -8.341 1.00 0.00 O ATOM 0 H GLU A 55 -8.936 0.896 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.857 -1.478 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.676 -0.125 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.574 1.222 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.639 0.345 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.581 -1.276 -7.130 1.00 0.00 H new ATOM 878 N GLU A 56 -5.894 1.099 -4.414 1.00 0.00 N ATOM 879 CA GLU A 56 -4.521 1.570 -4.552 1.00 0.00 C ATOM 880 C GLU A 56 -3.555 0.675 -3.781 1.00 0.00 C ATOM 881 O GLU A 56 -2.389 0.542 -4.149 1.00 0.00 O ATOM 882 CB GLU A 56 -4.406 3.012 -4.057 1.00 0.00 C ATOM 883 CG GLU A 56 -4.765 4.047 -5.111 1.00 0.00 C ATOM 884 CD GLU A 56 -3.916 5.300 -5.010 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.200 6.142 -4.133 1.00 0.00 O ATOM 886 OE2 GLU A 56 -2.966 5.438 -5.809 1.00 0.00 O ATOM 0 H GLU A 56 -6.489 1.702 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.254 1.532 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.058 3.144 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.386 3.190 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.643 3.609 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.816 4.316 -5.008 1.00 0.00 H new ATOM 893 N VAL A 57 -4.049 0.062 -2.710 1.00 0.00 N ATOM 894 CA VAL A 57 -3.228 -0.820 -1.886 1.00 0.00 C ATOM 895 C VAL A 57 -3.145 -2.212 -2.498 1.00 0.00 C ATOM 896 O VAL A 57 -2.190 -2.948 -2.261 1.00 0.00 O ATOM 897 CB VAL A 57 -3.784 -0.940 -0.452 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.774 -1.623 0.456 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.166 0.427 0.099 1.00 0.00 C ATOM 0 H VAL A 57 -5.013 0.159 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.233 -0.376 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.685 -1.553 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.183 -1.699 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.559 -2.622 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.854 -1.039 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.555 0.316 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.287 1.071 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.930 0.875 -0.536 1.00 0.00 H new ATOM 909 N LYS A 58 -4.159 -2.567 -3.278 1.00 0.00 N ATOM 910 CA LYS A 58 -4.214 -3.871 -3.924 1.00 0.00 C ATOM 911 C LYS A 58 -3.255 -3.942 -5.111 1.00 0.00 C ATOM 912 O LYS A 58 -2.772 -5.016 -5.463 1.00 0.00 O ATOM 913 CB LYS A 58 -5.639 -4.163 -4.390 1.00 0.00 C ATOM 914 CG LYS A 58 -6.370 -5.171 -3.518 1.00 0.00 C ATOM 915 CD LYS A 58 -6.471 -4.695 -2.077 1.00 0.00 C ATOM 916 CE LYS A 58 -7.868 -4.906 -1.517 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.913 -4.701 -0.043 1.00 0.00 N ATOM 0 H LYS A 58 -4.958 -1.966 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.909 -4.622 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.205 -3.232 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.608 -4.536 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.370 -5.340 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.848 -6.127 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.747 -5.232 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.212 -3.638 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.561 -4.217 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.205 -5.915 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.900 -4.737 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.365 -5.449 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.505 -3.774 0.191 1.00 0.00 H new ATOM 931 N LYS A 59 -2.999 -2.796 -5.735 1.00 0.00 N ATOM 932 CA LYS A 59 -2.112 -2.737 -6.893 1.00 0.00 C ATOM 933 C LYS A 59 -0.646 -2.857 -6.485 1.00 0.00 C ATOM 934 O LYS A 59 0.149 -3.477 -7.191 1.00 0.00 O ATOM 935 CB LYS A 59 -2.328 -1.434 -7.663 1.00 0.00 C ATOM 936 CG LYS A 59 -1.477 -1.322 -8.919 1.00 0.00 C ATOM 937 CD LYS A 59 -0.583 -0.091 -8.886 1.00 0.00 C ATOM 938 CE LYS A 59 -1.212 1.074 -9.632 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.234 0.845 -11.103 1.00 0.00 N ATOM 0 H LYS A 59 -3.393 -1.896 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.356 -3.583 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.380 -1.354 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.105 -0.593 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.862 -2.216 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.125 -1.278 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.396 0.197 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.383 -0.330 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.230 1.228 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.656 1.986 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.344 1.755 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.343 0.397 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.031 0.223 -11.346 1.00 0.00 H new ATOM 953 N LEU A 60 -0.287 -2.257 -5.355 1.00 0.00 N ATOM 954 CA LEU A 60 1.094 -2.304 -4.882 1.00 0.00 C ATOM 955 C LEU A 60 1.424 -3.657 -4.262 1.00 0.00 C ATOM 956 O LEU A 60 2.577 -4.083 -4.273 1.00 0.00 O ATOM 957 CB LEU A 60 1.364 -1.189 -3.870 1.00 0.00 C ATOM 958 CG LEU A 60 2.846 -0.979 -3.553 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.194 0.498 -3.522 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.207 -1.645 -2.236 1.00 0.00 C ATOM 0 H LEU A 60 -0.926 -1.737 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 60 1.738 -2.157 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.950 -0.257 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.834 -1.416 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 60 3.432 -1.443 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.253 0.618 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.979 0.943 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.600 0.996 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.265 -1.486 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.609 -1.213 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.007 -2.714 -2.302 1.00 0.00 H new ATOM 972 N GLU A 61 0.414 -4.329 -3.725 1.00 0.00 N ATOM 973 CA GLU A 61 0.608 -5.632 -3.107 1.00 0.00 C ATOM 974 C GLU A 61 1.005 -6.666 -4.155 1.00 0.00 C ATOM 975 O GLU A 61 2.045 -7.314 -4.045 1.00 0.00 O ATOM 976 CB GLU A 61 -0.671 -6.068 -2.396 1.00 0.00 C ATOM 977 CG GLU A 61 -0.429 -6.692 -1.033 1.00 0.00 C ATOM 978 CD GLU A 61 -1.279 -7.926 -0.797 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.517 -7.827 -0.922 1.00 0.00 O ATOM 980 OE2 GLU A 61 -0.704 -8.991 -0.486 1.00 0.00 O ATOM 0 H GLU A 61 -0.549 -3.992 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 61 1.412 -5.555 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.324 -5.203 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.200 -6.784 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.624 -6.958 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.641 -5.956 -0.258 1.00 0.00 H new ATOM 987 N GLU A 62 0.167 -6.805 -5.177 1.00 0.00 N ATOM 988 CA GLU A 62 0.423 -7.749 -6.255 1.00 0.00 C ATOM 989 C GLU A 62 1.703 -7.386 -7.001 1.00 0.00 C ATOM 990 O GLU A 62 2.360 -8.249 -7.585 1.00 0.00 O ATOM 991 CB GLU A 62 -0.760 -7.768 -7.225 1.00 0.00 C ATOM 992 CG GLU A 62 -1.072 -9.148 -7.776 1.00 0.00 C ATOM 993 CD GLU A 62 -1.950 -9.098 -9.012 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.187 -9.021 -8.858 1.00 0.00 O ATOM 995 OE2 GLU A 62 -1.400 -9.136 -10.132 1.00 0.00 O ATOM 0 H GLU A 62 -0.697 -6.273 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 62 0.548 -8.741 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.643 -7.381 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.549 -7.094 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.139 -9.658 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.568 -9.739 -7.006 1.00 0.00 H new ATOM 1002 N GLU A 63 2.049 -6.103 -6.980 1.00 0.00 N ATOM 1003 CA GLU A 63 3.248 -5.620 -7.654 1.00 0.00 C ATOM 1004 C GLU A 63 4.499 -6.279 -7.081 1.00 0.00 C ATOM 1005 O GLU A 63 5.379 -6.714 -7.826 1.00 0.00 O ATOM 1006 CB GLU A 63 3.340 -4.096 -7.534 1.00 0.00 C ATOM 1007 CG GLU A 63 2.835 -3.358 -8.763 1.00 0.00 C ATOM 1008 CD GLU A 63 3.732 -2.200 -9.157 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.952 -2.418 -9.308 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.212 -1.075 -9.315 1.00 0.00 O ATOM 0 H GLU A 63 1.514 -5.378 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 63 3.182 -5.887 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.767 -3.773 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.378 -3.816 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.762 -4.056 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.829 -2.985 -8.570 1.00 0.00 H new ATOM 1017 N ILE A 64 4.571 -6.361 -5.755 1.00 0.00 N ATOM 1018 CA ILE A 64 5.712 -6.979 -5.089 1.00 0.00 C ATOM 1019 C ILE A 64 5.758 -8.479 -5.368 1.00 0.00 C ATOM 1020 O ILE A 64 6.816 -9.103 -5.296 1.00 0.00 O ATOM 1021 CB ILE A 64 5.665 -6.759 -3.564 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.372 -5.291 -3.242 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.976 -7.198 -2.925 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.408 -4.972 -1.761 1.00 0.00 C ATOM 0 H ILE A 64 3.853 -6.008 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 64 6.607 -6.503 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 64 4.860 -7.366 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.099 -4.663 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.390 -5.031 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.928 -7.037 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.142 -8.256 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.797 -6.616 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.191 -3.914 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.662 -5.573 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.397 -5.199 -1.364 1.00 0.00 H new ATOM 1036 N LYS A 65 4.601 -9.052 -5.686 1.00 0.00 N ATOM 1037 CA LYS A 65 4.506 -10.479 -5.973 1.00 0.00 C ATOM 1038 C LYS A 65 5.318 -10.839 -7.214 1.00 0.00 C ATOM 1039 O LYS A 65 5.887 -11.928 -7.301 1.00 0.00 O ATOM 1040 CB LYS A 65 3.043 -10.885 -6.166 1.00 0.00 C ATOM 1041 CG LYS A 65 2.609 -12.037 -5.275 1.00 0.00 C ATOM 1042 CD LYS A 65 2.765 -11.693 -3.800 1.00 0.00 C ATOM 1043 CE LYS A 65 3.790 -12.588 -3.123 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.570 -12.673 -1.653 1.00 0.00 N ATOM 0 H LYS A 65 3.716 -8.549 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 65 4.916 -11.025 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.406 -10.023 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.886 -11.164 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.569 -12.287 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.202 -12.921 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.068 -10.651 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.803 -11.796 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.741 -13.587 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.792 -12.205 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.290 -13.293 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.642 -11.723 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.624 -13.063 -1.465 1.00 0.00 H new ATOM 1058 N LYS A 66 5.368 -9.919 -8.171 1.00 0.00 N ATOM 1059 CA LYS A 66 6.112 -10.141 -9.405 1.00 0.00 C ATOM 1060 C LYS A 66 7.597 -10.326 -9.115 1.00 0.00 C ATOM 1061 O LYS A 66 8.165 -11.386 -9.378 1.00 0.00 O ATOM 1062 CB LYS A 66 5.909 -8.968 -10.366 1.00 0.00 C ATOM 1063 CG LYS A 66 4.594 -9.027 -11.127 1.00 0.00 C ATOM 1064 CD LYS A 66 4.772 -9.652 -12.501 1.00 0.00 C ATOM 1065 CE LYS A 66 3.435 -9.888 -13.184 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.755 -8.610 -13.530 1.00 0.00 N ATOM 0 H LYS A 66 4.902 -9.013 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 66 5.734 -11.051 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.952 -8.036 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.732 -8.947 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.867 -9.604 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.189 -8.021 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.388 -9.001 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.305 -10.598 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.589 -10.474 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.792 -10.476 -12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.863 -8.814 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.555 -8.077 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.372 -8.045 -14.148 1.00 0.00 H new ATOM 1080 N LEU A 67 8.220 -9.287 -8.568 1.00 0.00 N ATOM 1081 CA LEU A 67 9.635 -9.328 -8.237 1.00 0.00 C ATOM 1082 C LEU A 67 9.940 -10.472 -7.275 1.00 0.00 C ATOM 1083 O LEU A 67 11.120 -10.627 -6.897 1.00 0.00 O ATOM 1084 CB LEU A 67 10.063 -7.997 -7.619 1.00 0.00 C ATOM 1085 CG LEU A 67 9.138 -7.460 -6.525 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.698 -7.778 -5.148 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.941 -5.961 -6.684 1.00 0.00 C ATOM 1088 OXT LEU A 67 8.996 -11.204 -6.909 1.00 0.00 O ATOM 0 H LEU A 67 7.762 -8.403 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 67 10.197 -9.498 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.063 -8.113 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.133 -7.252 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 67 8.169 -7.949 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.026 -7.388 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.791 -8.858 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.679 -7.316 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.280 -5.595 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.905 -5.458 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.496 -5.754 -7.657 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.902 2.434 3.097 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.684 1.838 2.847 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.615 0.632 2.161 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.785 0.029 1.728 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.007 0.622 1.976 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.067 1.824 2.661 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.516 2.431 3.273 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.006 0.006 1.922 1.00 0.00 S HETATM 0 HO1 HTS A 101 5.518 2.493 4.251 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.948 3.381 3.635 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.032 2.291 2.857 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.924 0.144 1.633 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.740 -0.918 1.189 1.00 0.00 H new