USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 827 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 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0.0137 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 172:sc= 2.21 (180deg=1.96) USER MOD Set 2.1: A 41 SER OG : rot 150:sc= 0.382 USER MOD Set 2.2: A 43 MET CE :methyl -122:sc=-0.00119 (180deg=-0.178) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.288 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 160:sc= 0.902 (180deg=0.359) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0573) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.17 (180deg=1.13) USER MOD Single : A 4 SER OG : rot 180:sc= 0.36 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.85 (180deg=1.8) USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 TYR OH : rot -14:sc= 1.88 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 2.43 (180deg=2.38) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -170:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.992) USER MOD Single : A 32 SER OG : rot -81:sc= 1.25 USER MOD Single : A 35 MET CE :methyl -142:sc=-0.00834 (180deg=-0.332) USER MOD Single : A 38 MET CE :methyl -169:sc= -2.02 (180deg=-2.34) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ -124:sc= 2 (180deg=-0.564) USER MOD Single : A 50 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.15) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.0038) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.35) USER MOD Single : A 83 GLN : amide:sc= 0.779 K(o=0.78,f=-0.47) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.965) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.13) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot -25:sc= 0.676 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 2.46 K(o=2.5,f=-3.9!) USER MOD Single : A 104 SER OG : rot -160:sc= 0.0519 USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 2.24 (180deg=2.2) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.718 7.668 16.352 1.00 0.00 N ATOM 2 CA MET A 1 -4.982 7.195 15.738 1.00 0.00 C ATOM 3 C MET A 1 -4.829 5.726 15.332 1.00 0.00 C ATOM 4 O MET A 1 -3.943 5.400 14.540 1.00 0.00 O ATOM 5 CB MET A 1 -5.393 8.102 14.556 1.00 0.00 C ATOM 6 CG MET A 1 -6.877 8.000 14.165 1.00 0.00 C ATOM 7 SD MET A 1 -7.464 6.444 13.432 1.00 0.00 S ATOM 8 CE MET A 1 -6.543 6.422 11.867 1.00 0.00 C ATOM 0 H1 MET A 1 -3.860 8.618 16.750 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.434 7.014 17.109 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.973 7.704 15.628 1.00 0.00 H new ATOM 0 HA MET A 1 -5.792 7.258 16.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.167 9.137 14.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.783 7.848 13.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.471 8.193 15.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.092 8.803 13.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.890 5.592 11.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.706 7.360 11.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.479 6.301 12.072 1.00 0.00 H new ATOM 20 N ALA A 2 -5.672 4.839 15.879 1.00 0.00 N ATOM 21 CA ALA A 2 -5.680 3.389 15.626 1.00 0.00 C ATOM 22 C ALA A 2 -4.314 2.681 15.811 1.00 0.00 C ATOM 23 O ALA A 2 -3.907 1.868 14.974 1.00 0.00 O ATOM 24 CB ALA A 2 -6.367 3.105 14.279 1.00 0.00 C ATOM 0 H ALA A 2 -6.398 5.123 16.537 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.274 2.926 16.414 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.372 2.031 14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.392 3.473 14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.824 3.609 13.480 1.00 0.00 H new ATOM 30 N GLU A 3 -3.599 2.983 16.903 1.00 0.00 N ATOM 31 CA GLU A 3 -2.319 2.349 17.269 1.00 0.00 C ATOM 32 C GLU A 3 -2.452 0.814 17.385 1.00 0.00 C ATOM 33 O GLU A 3 -3.061 0.290 18.323 1.00 0.00 O ATOM 34 CB GLU A 3 -1.761 2.917 18.591 1.00 0.00 C ATOM 35 CG GLU A 3 -1.459 4.423 18.581 1.00 0.00 C ATOM 36 CD GLU A 3 -2.667 5.257 19.039 1.00 0.00 C ATOM 37 OE1 GLU A 3 -3.529 5.582 18.188 1.00 0.00 O ATOM 38 OE2 GLU A 3 -2.757 5.607 20.240 1.00 0.00 O ATOM 0 H GLU A 3 -3.899 3.691 17.574 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.621 2.579 16.464 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.477 2.712 19.387 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.845 2.381 18.840 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.610 4.627 19.233 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.169 4.728 17.576 1.00 0.00 H new ATOM 45 N SER A 4 -1.898 0.093 16.405 1.00 0.00 N ATOM 46 CA SER A 4 -1.972 -1.368 16.257 1.00 0.00 C ATOM 47 C SER A 4 -0.999 -1.847 15.169 1.00 0.00 C ATOM 48 O SER A 4 -0.757 -1.125 14.196 1.00 0.00 O ATOM 49 CB SER A 4 -3.409 -1.772 15.882 1.00 0.00 C ATOM 50 OG SER A 4 -3.495 -3.127 15.469 1.00 0.00 O ATOM 0 H SER A 4 -1.360 0.531 15.657 1.00 0.00 H new ATOM 0 HA SER A 4 -1.694 -1.834 17.203 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.064 -1.613 16.738 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.769 -1.126 15.081 1.00 0.00 H new ATOM 0 HG SER A 4 -4.424 -3.342 15.242 1.00 0.00 H new ATOM 56 N SER A 5 -0.509 -3.083 15.299 1.00 0.00 N ATOM 57 CA SER A 5 0.222 -3.826 14.255 1.00 0.00 C ATOM 58 C SER A 5 -0.456 -5.164 13.919 1.00 0.00 C ATOM 59 O SER A 5 0.197 -6.172 13.633 1.00 0.00 O ATOM 60 CB SER A 5 1.695 -4.029 14.616 1.00 0.00 C ATOM 61 OG SER A 5 2.338 -2.798 14.922 1.00 0.00 O ATOM 0 H SER A 5 -0.611 -3.617 16.162 1.00 0.00 H new ATOM 0 HA SER A 5 0.190 -3.208 13.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.770 -4.701 15.471 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.210 -4.511 13.785 1.00 0.00 H new ATOM 0 HG SER A 5 3.276 -2.967 15.149 1.00 0.00 H new ATOM 67 N ASP A 6 -1.789 -5.190 13.985 1.00 0.00 N ATOM 68 CA ASP A 6 -2.622 -6.321 13.554 1.00 0.00 C ATOM 69 C ASP A 6 -3.565 -5.964 12.388 1.00 0.00 C ATOM 70 O ASP A 6 -4.528 -6.682 12.105 1.00 0.00 O ATOM 71 CB ASP A 6 -3.323 -6.944 14.772 1.00 0.00 C ATOM 72 CG ASP A 6 -3.669 -8.425 14.539 1.00 0.00 C ATOM 73 OD1 ASP A 6 -2.750 -9.188 14.149 1.00 0.00 O ATOM 74 OD2 ASP A 6 -4.825 -8.838 14.796 1.00 0.00 O ATOM 0 H ASP A 6 -2.334 -4.408 14.348 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.976 -7.090 13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.679 -6.855 15.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.235 -6.388 14.990 1.00 0.00 H new ATOM 79 N LYS A 7 -3.264 -4.864 11.684 1.00 0.00 N ATOM 80 CA LYS A 7 -3.874 -4.476 10.413 1.00 0.00 C ATOM 81 C LYS A 7 -3.192 -5.232 9.285 1.00 0.00 C ATOM 82 O LYS A 7 -1.993 -5.480 9.357 1.00 0.00 O ATOM 83 CB LYS A 7 -3.745 -2.976 10.239 1.00 0.00 C ATOM 84 CG LYS A 7 -4.725 -2.314 11.218 1.00 0.00 C ATOM 85 CD LYS A 7 -4.364 -0.855 11.391 1.00 0.00 C ATOM 86 CE LYS A 7 -3.080 -0.730 12.228 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.777 0.658 12.653 1.00 0.00 N ATOM 0 H LYS A 7 -2.561 -4.196 12.000 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.934 -4.729 10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.724 -2.653 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.974 -2.688 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.745 -2.405 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.692 -2.824 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.220 -0.389 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.181 -0.325 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.171 -1.360 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.241 -1.114 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.866 0.677 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.725 1.274 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.527 0.998 13.288 1.00 0.00 H new ATOM 101 N LEU A 8 -3.930 -5.582 8.246 1.00 0.00 N ATOM 102 CA LEU A 8 -3.442 -6.378 7.120 1.00 0.00 C ATOM 103 C LEU A 8 -2.608 -5.559 6.146 1.00 0.00 C ATOM 104 O LEU A 8 -1.762 -6.129 5.462 1.00 0.00 O ATOM 105 CB LEU A 8 -4.656 -6.921 6.348 1.00 0.00 C ATOM 106 CG LEU A 8 -5.558 -7.903 7.107 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.827 -8.110 6.282 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.862 -9.245 7.321 1.00 0.00 C ATOM 0 H LEU A 8 -4.911 -5.317 8.154 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.816 -7.173 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.264 -6.075 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.295 -7.415 5.446 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.792 -7.492 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.488 -8.805 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.336 -7.155 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.564 -8.517 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.528 -9.918 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.610 -9.682 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.951 -9.094 7.900 1.00 0.00 H new ATOM 120 N TYR A 9 -2.860 -4.253 6.060 1.00 0.00 N ATOM 121 CA TYR A 9 -2.445 -3.430 4.934 1.00 0.00 C ATOM 122 C TYR A 9 -1.869 -2.099 5.420 1.00 0.00 C ATOM 123 O TYR A 9 -2.179 -1.620 6.511 1.00 0.00 O ATOM 124 CB TYR A 9 -3.644 -3.216 3.988 1.00 0.00 C ATOM 125 CG TYR A 9 -4.369 -4.467 3.515 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.655 -5.517 2.916 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.764 -4.578 3.675 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.319 -6.685 2.492 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.436 -5.747 3.265 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.713 -6.802 2.665 1.00 0.00 C ATOM 131 OH TYR A 9 -6.354 -7.925 2.248 1.00 0.00 O ATOM 0 H TYR A 9 -3.364 -3.735 6.780 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.655 -3.941 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.366 -2.574 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.293 -2.673 3.110 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.587 -5.429 2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.321 -3.764 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.761 -7.489 2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.503 -5.836 3.409 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.745 -8.690 2.307 1.00 0.00 H new ATOM 141 N ARG A 10 -1.039 -1.481 4.584 1.00 0.00 N ATOM 142 CA ARG A 10 -0.435 -0.160 4.771 1.00 0.00 C ATOM 143 C ARG A 10 -0.472 0.582 3.435 1.00 0.00 C ATOM 144 O ARG A 10 -0.301 -0.049 2.396 1.00 0.00 O ATOM 145 CB ARG A 10 0.987 -0.342 5.353 1.00 0.00 C ATOM 146 CG ARG A 10 2.012 0.793 5.151 1.00 0.00 C ATOM 147 CD ARG A 10 1.673 2.112 5.869 1.00 0.00 C ATOM 148 NE ARG A 10 1.847 2.028 7.333 1.00 0.00 N ATOM 149 CZ ARG A 10 2.896 2.357 8.068 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.976 2.921 7.609 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.855 2.119 9.343 1.00 0.00 N ATOM 0 H ARG A 10 -0.752 -1.912 3.705 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.986 0.451 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.888 -0.513 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.408 -1.251 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.986 0.448 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.106 0.992 4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.308 2.907 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.642 2.388 5.645 1.00 0.00 H new ATOM 0 HE ARG A 10 1.046 1.665 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.054 3.140 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.744 3.144 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.027 1.688 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.650 2.363 9.933 1.00 0.00 H new ATOM 165 N VAL A 11 -0.678 1.896 3.451 1.00 0.00 N ATOM 166 CA VAL A 11 -0.482 2.815 2.318 1.00 0.00 C ATOM 167 C VAL A 11 0.151 4.114 2.814 1.00 0.00 C ATOM 168 O VAL A 11 -0.164 4.574 3.910 1.00 0.00 O ATOM 169 CB VAL A 11 -1.812 3.072 1.585 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.733 4.067 2.300 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.577 3.638 0.178 1.00 0.00 C ATOM 0 H VAL A 11 -1.001 2.378 4.290 1.00 0.00 H new ATOM 0 HA VAL A 11 0.196 2.358 1.598 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.290 2.093 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.648 4.195 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.980 3.687 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.227 5.028 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.536 3.808 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.035 4.581 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.992 2.928 -0.407 1.00 0.00 H new ATOM 181 N GLU A 12 1.059 4.703 2.040 1.00 0.00 N ATOM 182 CA GLU A 12 1.722 5.958 2.401 1.00 0.00 C ATOM 183 C GLU A 12 2.462 6.598 1.229 1.00 0.00 C ATOM 184 O GLU A 12 2.870 5.934 0.274 1.00 0.00 O ATOM 185 CB GLU A 12 2.728 5.734 3.548 1.00 0.00 C ATOM 186 CG GLU A 12 3.821 4.701 3.230 1.00 0.00 C ATOM 187 CD GLU A 12 4.877 4.653 4.335 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.497 4.635 5.528 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.085 4.640 4.007 1.00 0.00 O ATOM 0 H GLU A 12 1.358 4.324 1.142 1.00 0.00 H new ATOM 0 HA GLU A 12 0.927 6.635 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.202 6.685 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.185 5.411 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.370 3.716 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.295 4.951 2.281 1.00 0.00 H new ATOM 196 N TYR A 13 2.724 7.892 1.382 1.00 0.00 N ATOM 197 CA TYR A 13 3.845 8.550 0.729 1.00 0.00 C ATOM 198 C TYR A 13 5.144 8.122 1.430 1.00 0.00 C ATOM 199 O TYR A 13 5.243 8.190 2.658 1.00 0.00 O ATOM 200 CB TYR A 13 3.633 10.066 0.791 1.00 0.00 C ATOM 201 CG TYR A 13 2.235 10.523 0.406 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.637 10.060 -0.783 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.521 11.390 1.255 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.372 10.539 -1.169 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.249 11.860 0.880 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.320 11.453 -0.345 1.00 0.00 C ATOM 207 OH TYR A 13 -1.537 11.932 -0.712 1.00 0.00 O ATOM 0 H TYR A 13 2.162 8.513 1.964 1.00 0.00 H new ATOM 0 HA TYR A 13 3.916 8.263 -0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.848 10.409 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.354 10.548 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.151 9.336 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.951 11.695 2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.070 10.207 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.292 12.532 1.530 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.696 11.731 -1.658 1.00 0.00 H new ATOM 217 N ALA A 14 6.127 7.649 0.668 1.00 0.00 N ATOM 218 CA ALA A 14 7.345 7.039 1.194 1.00 0.00 C ATOM 219 C ALA A 14 8.209 8.021 2.011 1.00 0.00 C ATOM 220 O ALA A 14 8.729 8.997 1.463 1.00 0.00 O ATOM 221 CB ALA A 14 8.119 6.466 0.002 1.00 0.00 C ATOM 0 H ALA A 14 6.099 7.680 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 14 7.077 6.251 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.039 6.000 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.506 5.721 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.363 7.269 -0.693 1.00 0.00 H new ATOM 227 N LYS A 15 8.414 7.726 3.305 1.00 0.00 N ATOM 228 CA LYS A 15 9.235 8.543 4.228 1.00 0.00 C ATOM 229 C LYS A 15 10.692 8.627 3.759 1.00 0.00 C ATOM 230 O LYS A 15 11.287 9.704 3.731 1.00 0.00 O ATOM 231 CB LYS A 15 9.189 7.970 5.663 1.00 0.00 C ATOM 232 CG LYS A 15 7.923 8.308 6.467 1.00 0.00 C ATOM 233 CD LYS A 15 6.656 7.605 5.968 1.00 0.00 C ATOM 234 CE LYS A 15 5.489 7.893 6.912 1.00 0.00 C ATOM 235 NZ LYS A 15 4.243 7.267 6.413 1.00 0.00 N ATOM 0 H LYS A 15 8.010 6.902 3.751 1.00 0.00 H new ATOM 0 HA LYS A 15 8.811 9.547 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.284 6.886 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.056 8.338 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.087 8.040 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.763 9.386 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.413 7.947 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.827 6.530 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.719 7.514 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.348 8.970 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.479 7.417 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.979 7.697 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.395 6.247 6.282 1.00 0.00 H new ATOM 249 N SER A 16 11.245 7.484 3.357 1.00 0.00 N ATOM 250 CA SER A 16 12.566 7.318 2.745 1.00 0.00 C ATOM 251 C SER A 16 12.549 6.102 1.814 1.00 0.00 C ATOM 252 O SER A 16 11.787 5.153 2.033 1.00 0.00 O ATOM 253 CB SER A 16 13.635 7.164 3.831 1.00 0.00 C ATOM 254 OG SER A 16 14.920 7.129 3.236 1.00 0.00 O ATOM 0 H SER A 16 10.755 6.595 3.455 1.00 0.00 H new ATOM 0 HA SER A 16 12.809 8.203 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.573 7.993 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.462 6.250 4.398 1.00 0.00 H new ATOM 0 HG SER A 16 15.601 7.032 3.934 1.00 0.00 H new ATOM 260 N GLY A 17 13.376 6.106 0.769 1.00 0.00 N ATOM 261 CA GLY A 17 13.377 5.096 -0.295 1.00 0.00 C ATOM 262 C GLY A 17 14.096 3.787 0.056 1.00 0.00 C ATOM 263 O GLY A 17 14.724 3.183 -0.815 1.00 0.00 O ATOM 0 H GLY A 17 14.083 6.829 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.345 4.867 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.845 5.524 -1.181 1.00 0.00 H new ATOM 267 N ARG A 18 14.079 3.379 1.334 1.00 0.00 N ATOM 268 CA ARG A 18 14.756 2.169 1.845 1.00 0.00 C ATOM 269 C ARG A 18 14.040 0.867 1.459 1.00 0.00 C ATOM 270 O ARG A 18 14.677 -0.184 1.389 1.00 0.00 O ATOM 271 CB ARG A 18 14.877 2.234 3.382 1.00 0.00 C ATOM 272 CG ARG A 18 15.560 3.480 3.970 1.00 0.00 C ATOM 273 CD ARG A 18 16.939 3.757 3.363 1.00 0.00 C ATOM 274 NE ARG A 18 17.673 4.780 4.133 1.00 0.00 N ATOM 275 CZ ARG A 18 18.833 5.326 3.817 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.456 5.050 2.707 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.403 6.173 4.626 1.00 0.00 N ATOM 0 H ARG A 18 13.582 3.892 2.062 1.00 0.00 H new ATOM 0 HA ARG A 18 15.742 2.154 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.875 2.164 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.427 1.355 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.919 4.347 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.663 3.355 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.518 2.834 3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.824 4.090 2.331 1.00 0.00 H new ATOM 0 HE ARG A 18 17.239 5.098 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.049 4.390 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.351 5.494 2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.953 6.417 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.299 6.592 4.377 1.00 0.00 H new ATOM 291 N ALA A 19 12.724 0.930 1.247 1.00 0.00 N ATOM 292 CA ALA A 19 11.871 -0.230 1.002 1.00 0.00 C ATOM 293 C ALA A 19 12.111 -0.868 -0.378 1.00 0.00 C ATOM 294 O ALA A 19 12.387 -0.182 -1.367 1.00 0.00 O ATOM 295 CB ALA A 19 10.406 0.183 1.184 1.00 0.00 C ATOM 0 H ALA A 19 12.211 1.812 1.241 1.00 0.00 H new ATOM 0 HA ALA A 19 12.128 -1.002 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.761 -0.677 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.253 0.544 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.161 0.976 0.477 1.00 0.00 H new ATOM 301 N SER A 20 11.939 -2.187 -0.445 1.00 0.00 N ATOM 302 CA SER A 20 12.068 -2.996 -1.662 1.00 0.00 C ATOM 303 C SER A 20 10.723 -3.591 -2.067 1.00 0.00 C ATOM 304 O SER A 20 9.979 -4.099 -1.222 1.00 0.00 O ATOM 305 CB SER A 20 13.150 -4.071 -1.507 1.00 0.00 C ATOM 306 OG SER A 20 12.868 -4.965 -0.437 1.00 0.00 O ATOM 0 H SER A 20 11.697 -2.744 0.374 1.00 0.00 H new ATOM 0 HA SER A 20 12.389 -2.340 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.236 -4.634 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.114 -3.592 -1.334 1.00 0.00 H new ATOM 0 HG SER A 20 13.581 -5.635 -0.374 1.00 0.00 H new ATOM 312 N CYS A 21 10.410 -3.524 -3.361 1.00 0.00 N ATOM 313 CA CYS A 21 9.163 -4.040 -3.915 1.00 0.00 C ATOM 314 C CYS A 21 9.218 -5.570 -4.044 1.00 0.00 C ATOM 315 O CYS A 21 10.057 -6.127 -4.760 1.00 0.00 O ATOM 316 CB CYS A 21 8.910 -3.343 -5.248 1.00 0.00 C ATOM 317 SG CYS A 21 7.284 -3.824 -5.928 1.00 0.00 S ATOM 0 H CYS A 21 11.023 -3.105 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 21 8.327 -3.826 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.948 -2.262 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.697 -3.603 -5.956 1.00 0.00 H new ATOM 322 N LYS A 22 8.315 -6.263 -3.346 1.00 0.00 N ATOM 323 CA LYS A 22 8.297 -7.738 -3.258 1.00 0.00 C ATOM 324 C LYS A 22 7.715 -8.419 -4.506 1.00 0.00 C ATOM 325 O LYS A 22 7.770 -9.646 -4.612 1.00 0.00 O ATOM 326 CB LYS A 22 7.537 -8.171 -1.990 1.00 0.00 C ATOM 327 CG LYS A 22 8.029 -7.524 -0.695 1.00 0.00 C ATOM 328 CD LYS A 22 9.336 -8.154 -0.210 1.00 0.00 C ATOM 329 CE LYS A 22 9.838 -7.428 1.037 1.00 0.00 C ATOM 330 NZ LYS A 22 10.459 -6.111 0.720 1.00 0.00 N ATOM 0 H LYS A 22 7.565 -5.818 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 22 9.334 -8.068 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.480 -7.936 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.613 -9.254 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.177 -6.456 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.266 -7.628 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.179 -9.209 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.088 -8.103 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.006 -7.278 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.567 -8.056 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.474 -5.519 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.432 -6.258 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.905 -5.635 -0.021 1.00 0.00 H new ATOM 344 N LYS A 23 7.153 -7.635 -5.438 1.00 0.00 N ATOM 345 CA LYS A 23 6.461 -8.112 -6.651 1.00 0.00 C ATOM 346 C LYS A 23 7.277 -7.917 -7.935 1.00 0.00 C ATOM 347 O LYS A 23 7.457 -8.889 -8.669 1.00 0.00 O ATOM 348 CB LYS A 23 5.067 -7.464 -6.716 1.00 0.00 C ATOM 349 CG LYS A 23 4.212 -7.842 -7.939 1.00 0.00 C ATOM 350 CD LYS A 23 4.006 -9.357 -8.115 1.00 0.00 C ATOM 351 CE LYS A 23 3.008 -9.625 -9.248 1.00 0.00 C ATOM 352 NZ LYS A 23 2.813 -11.081 -9.478 1.00 0.00 N ATOM 0 H LYS A 23 7.167 -6.617 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 23 6.343 -9.193 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.518 -7.735 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.189 -6.381 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.238 -7.361 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.684 -7.443 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.958 -9.838 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.639 -9.792 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.051 -9.164 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.365 -9.157 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.132 -11.222 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.722 -11.517 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.449 -11.524 -8.610 1.00 0.00 H new ATOM 366 N CYS A 24 7.790 -6.706 -8.193 1.00 0.00 N ATOM 367 CA CYS A 24 8.611 -6.410 -9.382 1.00 0.00 C ATOM 368 C CYS A 24 10.140 -6.386 -9.118 1.00 0.00 C ATOM 369 O CYS A 24 10.935 -6.243 -10.052 1.00 0.00 O ATOM 370 CB CYS A 24 8.048 -5.192 -10.139 1.00 0.00 C ATOM 371 SG CYS A 24 8.487 -3.583 -9.384 1.00 0.00 S ATOM 0 H CYS A 24 7.649 -5.900 -7.584 1.00 0.00 H new ATOM 0 HA CYS A 24 8.522 -7.258 -10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.415 -5.213 -11.165 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.962 -5.276 -10.187 1.00 0.00 H new ATOM 376 N SER A 25 10.555 -6.616 -7.864 1.00 0.00 N ATOM 377 CA SER A 25 11.952 -6.770 -7.413 1.00 0.00 C ATOM 378 C SER A 25 12.860 -5.541 -7.613 1.00 0.00 C ATOM 379 O SER A 25 14.088 -5.655 -7.590 1.00 0.00 O ATOM 380 CB SER A 25 12.581 -8.066 -7.954 1.00 0.00 C ATOM 381 OG SER A 25 11.783 -9.198 -7.627 1.00 0.00 O ATOM 0 H SER A 25 9.892 -6.705 -7.094 1.00 0.00 H new ATOM 0 HA SER A 25 11.881 -6.852 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.692 -7.996 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.581 -8.190 -7.538 1.00 0.00 H new ATOM 0 HG SER A 25 12.203 -10.008 -7.983 1.00 0.00 H new ATOM 387 N GLU A 26 12.272 -4.353 -7.773 1.00 0.00 N ATOM 388 CA GLU A 26 12.963 -3.056 -7.705 1.00 0.00 C ATOM 389 C GLU A 26 12.942 -2.498 -6.265 1.00 0.00 C ATOM 390 O GLU A 26 12.392 -3.119 -5.354 1.00 0.00 O ATOM 391 CB GLU A 26 12.316 -2.074 -8.703 1.00 0.00 C ATOM 392 CG GLU A 26 12.387 -2.526 -10.174 1.00 0.00 C ATOM 393 CD GLU A 26 13.827 -2.761 -10.676 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.732 -1.951 -10.361 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.064 -3.745 -11.421 1.00 0.00 O ATOM 0 H GLU A 26 11.273 -4.260 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 26 14.009 -3.191 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.271 -1.932 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.805 -1.104 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.815 -3.446 -10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.910 -1.772 -10.801 1.00 0.00 H new ATOM 402 N SER A 27 13.517 -1.312 -6.040 1.00 0.00 N ATOM 403 CA SER A 27 13.390 -0.578 -4.768 1.00 0.00 C ATOM 404 C SER A 27 12.632 0.737 -4.940 1.00 0.00 C ATOM 405 O SER A 27 12.701 1.384 -5.987 1.00 0.00 O ATOM 406 CB SER A 27 14.730 -0.376 -4.067 1.00 0.00 C ATOM 407 OG SER A 27 15.367 -1.623 -3.836 1.00 0.00 O ATOM 0 H SER A 27 14.086 -0.829 -6.735 1.00 0.00 H new ATOM 0 HA SER A 27 12.793 -1.210 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.373 0.259 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.576 0.141 -3.120 1.00 0.00 H new ATOM 0 HG SER A 27 16.142 -1.491 -3.251 1.00 0.00 H new ATOM 413 N ILE A 28 11.852 1.090 -3.919 1.00 0.00 N ATOM 414 CA ILE A 28 10.744 2.047 -3.997 1.00 0.00 C ATOM 415 C ILE A 28 11.246 3.467 -3.656 1.00 0.00 C ATOM 416 O ILE A 28 11.848 3.636 -2.592 1.00 0.00 O ATOM 417 CB ILE A 28 9.599 1.584 -3.065 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.125 0.141 -3.386 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.414 2.562 -3.178 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.203 -0.460 -2.317 1.00 0.00 C ATOM 0 H ILE A 28 11.977 0.706 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 28 10.349 2.085 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 28 9.985 1.579 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.603 0.145 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.998 -0.501 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.608 2.235 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.738 3.561 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.057 2.583 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.914 -1.469 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.728 -0.497 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.311 0.158 -2.216 1.00 0.00 H new ATOM 432 N PRO A 29 11.021 4.500 -4.496 1.00 0.00 N ATOM 433 CA PRO A 29 11.541 5.852 -4.258 1.00 0.00 C ATOM 434 C PRO A 29 10.961 6.572 -3.033 1.00 0.00 C ATOM 435 O PRO A 29 9.796 6.381 -2.677 1.00 0.00 O ATOM 436 CB PRO A 29 11.263 6.647 -5.541 1.00 0.00 C ATOM 437 CG PRO A 29 11.148 5.570 -6.613 1.00 0.00 C ATOM 438 CD PRO A 29 10.498 4.418 -5.853 1.00 0.00 C ATOM 0 HA PRO A 29 12.603 5.775 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.346 7.231 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.069 7.347 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.537 5.898 -7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.122 5.292 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.412 4.507 -5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.743 3.459 -6.310 1.00 0.00 H new ATOM 446 N LYS A 30 11.751 7.479 -2.442 1.00 0.00 N ATOM 447 CA LYS A 30 11.287 8.484 -1.466 1.00 0.00 C ATOM 448 C LYS A 30 10.225 9.396 -2.101 1.00 0.00 C ATOM 449 O LYS A 30 10.322 9.732 -3.283 1.00 0.00 O ATOM 450 CB LYS A 30 12.508 9.287 -0.973 1.00 0.00 C ATOM 451 CG LYS A 30 12.182 10.341 0.101 1.00 0.00 C ATOM 452 CD LYS A 30 13.461 11.083 0.526 1.00 0.00 C ATOM 453 CE LYS A 30 13.177 12.235 1.503 1.00 0.00 C ATOM 454 NZ LYS A 30 13.004 11.773 2.905 1.00 0.00 N ATOM 0 H LYS A 30 12.752 7.539 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 30 10.818 7.995 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.247 8.593 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.969 9.785 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.453 11.052 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.728 9.859 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.149 10.377 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.960 11.477 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.997 12.952 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.277 12.761 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.666 12.563 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.309 11.000 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.915 11.433 3.273 1.00 0.00 H new ATOM 468 N ASP A 31 9.227 9.805 -1.316 1.00 0.00 N ATOM 469 CA ASP A 31 8.099 10.648 -1.748 1.00 0.00 C ATOM 470 C ASP A 31 7.338 10.104 -2.986 1.00 0.00 C ATOM 471 O ASP A 31 6.911 10.855 -3.865 1.00 0.00 O ATOM 472 CB ASP A 31 8.557 12.117 -1.857 1.00 0.00 C ATOM 473 CG ASP A 31 7.388 13.113 -1.973 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.394 12.981 -1.217 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.483 14.070 -2.781 1.00 0.00 O ATOM 0 H ASP A 31 9.175 9.553 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 31 7.331 10.609 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.155 12.370 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.205 12.225 -2.727 1.00 0.00 H new ATOM 480 N SER A 32 7.164 8.778 -3.049 1.00 0.00 N ATOM 481 CA SER A 32 6.286 8.067 -3.988 1.00 0.00 C ATOM 482 C SER A 32 5.194 7.322 -3.213 1.00 0.00 C ATOM 483 O SER A 32 5.334 7.092 -2.009 1.00 0.00 O ATOM 484 CB SER A 32 7.090 7.122 -4.894 1.00 0.00 C ATOM 485 OG SER A 32 7.546 5.973 -4.204 1.00 0.00 O ATOM 0 H SER A 32 7.653 8.143 -2.419 1.00 0.00 H new ATOM 0 HA SER A 32 5.805 8.794 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.470 6.815 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.945 7.658 -5.307 1.00 0.00 H new ATOM 0 HG SER A 32 8.356 6.195 -3.700 1.00 0.00 H new ATOM 491 N LEU A 33 4.091 6.962 -3.872 1.00 0.00 N ATOM 492 CA LEU A 33 2.980 6.260 -3.229 1.00 0.00 C ATOM 493 C LEU A 33 3.259 4.750 -3.213 1.00 0.00 C ATOM 494 O LEU A 33 3.484 4.132 -4.259 1.00 0.00 O ATOM 495 CB LEU A 33 1.653 6.622 -3.924 1.00 0.00 C ATOM 496 CG LEU A 33 0.410 6.055 -3.212 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.092 6.755 -1.891 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.824 6.184 -4.104 1.00 0.00 C ATOM 0 H LEU A 33 3.943 7.149 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 33 2.886 6.577 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.566 7.707 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.676 6.251 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 33 0.649 5.012 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.795 6.305 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.936 6.647 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.092 7.813 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.692 5.778 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.998 7.235 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.664 5.631 -5.029 1.00 0.00 H new ATOM 510 N ARG A 34 3.226 4.154 -2.020 1.00 0.00 N ATOM 511 CA ARG A 34 3.548 2.746 -1.771 1.00 0.00 C ATOM 512 C ARG A 34 2.576 2.113 -0.786 1.00 0.00 C ATOM 513 O ARG A 34 1.893 2.808 -0.036 1.00 0.00 O ATOM 514 CB ARG A 34 5.020 2.609 -1.343 1.00 0.00 C ATOM 515 CG ARG A 34 5.383 3.205 0.030 1.00 0.00 C ATOM 516 CD ARG A 34 6.860 2.914 0.343 1.00 0.00 C ATOM 517 NE ARG A 34 7.268 3.435 1.660 1.00 0.00 N ATOM 518 CZ ARG A 34 8.492 3.687 2.082 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.548 3.551 1.333 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.661 4.133 3.287 1.00 0.00 N ATOM 0 H ARG A 34 2.965 4.655 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 34 3.428 2.186 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.279 1.550 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.643 3.085 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.206 4.280 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.745 2.777 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.030 1.838 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.487 3.358 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 34 6.516 3.623 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.452 3.235 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.472 3.760 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.854 4.284 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.601 4.333 3.630 1.00 0.00 H new ATOM 534 N MET A 35 2.525 0.788 -0.800 1.00 0.00 N ATOM 535 CA MET A 35 1.682 -0.047 0.049 1.00 0.00 C ATOM 536 C MET A 35 2.495 -1.156 0.711 1.00 0.00 C ATOM 537 O MET A 35 3.579 -1.499 0.249 1.00 0.00 O ATOM 538 CB MET A 35 0.502 -0.624 -0.752 1.00 0.00 C ATOM 539 CG MET A 35 -0.529 0.456 -1.087 1.00 0.00 C ATOM 540 SD MET A 35 -2.019 -0.096 -1.960 1.00 0.00 S ATOM 541 CE MET A 35 -2.929 -0.853 -0.583 1.00 0.00 C ATOM 0 H MET A 35 3.100 0.237 -1.437 1.00 0.00 H new ATOM 0 HA MET A 35 1.275 0.581 0.842 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.872 -1.074 -1.673 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.025 -1.419 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.836 0.936 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.040 1.219 -1.693 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.438 -1.751 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.232 -1.118 0.212 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.664 -0.145 -0.200 1.00 0.00 H new ATOM 551 N ALA A 36 1.987 -1.709 1.809 1.00 0.00 N ATOM 552 CA ALA A 36 2.613 -2.827 2.511 1.00 0.00 C ATOM 553 C ALA A 36 1.576 -3.829 3.042 1.00 0.00 C ATOM 554 O ALA A 36 0.387 -3.510 3.112 1.00 0.00 O ATOM 555 CB ALA A 36 3.547 -2.297 3.608 1.00 0.00 C ATOM 0 H ALA A 36 1.120 -1.390 2.241 1.00 0.00 H new ATOM 0 HA ALA A 36 3.220 -3.389 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.011 -3.136 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.322 -1.676 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.973 -1.702 4.319 1.00 0.00 H new ATOM 561 N ILE A 37 2.026 -5.024 3.436 1.00 0.00 N ATOM 562 CA ILE A 37 1.174 -6.097 3.973 1.00 0.00 C ATOM 563 C ILE A 37 1.735 -6.655 5.274 1.00 0.00 C ATOM 564 O ILE A 37 2.943 -6.854 5.375 1.00 0.00 O ATOM 565 CB ILE A 37 0.977 -7.188 2.896 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.365 -6.907 2.207 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.034 -8.629 3.422 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.606 -7.701 0.926 1.00 0.00 C ATOM 0 H ILE A 37 3.012 -5.281 3.391 1.00 0.00 H new ATOM 0 HA ILE A 37 0.195 -5.687 4.221 1.00 0.00 H new ATOM 0 HB ILE A 37 1.814 -7.129 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.170 -7.124 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.422 -5.844 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.886 -9.324 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.007 -8.811 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.250 -8.776 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.578 -7.436 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.174 -7.467 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.586 -8.768 1.150 1.00 0.00 H new ATOM 580 N MET A 38 0.879 -6.959 6.252 1.00 0.00 N ATOM 581 CA MET A 38 1.329 -7.529 7.521 1.00 0.00 C ATOM 582 C MET A 38 1.408 -9.059 7.505 1.00 0.00 C ATOM 583 O MET A 38 0.416 -9.742 7.247 1.00 0.00 O ATOM 584 CB MET A 38 0.435 -6.995 8.642 1.00 0.00 C ATOM 585 CG MET A 38 1.037 -7.112 10.046 1.00 0.00 C ATOM 586 SD MET A 38 1.963 -5.663 10.640 1.00 0.00 S ATOM 587 CE MET A 38 3.092 -5.394 9.254 1.00 0.00 C ATOM 0 H MET A 38 -0.129 -6.819 6.188 1.00 0.00 H new ATOM 0 HA MET A 38 2.356 -7.211 7.699 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.211 -5.947 8.443 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.513 -7.533 8.621 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.230 -7.316 10.750 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.702 -7.976 10.064 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.854 -4.669 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.570 -6.336 8.986 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.534 -5.014 8.398 1.00 0.00 H new ATOM 597 N VAL A 39 2.588 -9.591 7.844 1.00 0.00 N ATOM 598 CA VAL A 39 2.821 -11.034 8.041 1.00 0.00 C ATOM 599 C VAL A 39 3.754 -11.306 9.223 1.00 0.00 C ATOM 600 O VAL A 39 4.674 -10.540 9.495 1.00 0.00 O ATOM 601 CB VAL A 39 3.332 -11.683 6.736 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.692 -11.142 6.284 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.398 -13.212 6.811 1.00 0.00 C ATOM 0 H VAL A 39 3.424 -9.025 7.992 1.00 0.00 H new ATOM 0 HA VAL A 39 1.867 -11.498 8.292 1.00 0.00 H new ATOM 0 HB VAL A 39 2.586 -11.404 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.993 -11.639 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.617 -10.069 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.435 -11.333 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.764 -13.607 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.074 -13.508 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.403 -13.610 7.010 1.00 0.00 H new ATOM 613 N GLN A 40 3.520 -12.406 9.938 1.00 0.00 N ATOM 614 CA GLN A 40 4.400 -12.915 10.999 1.00 0.00 C ATOM 615 C GLN A 40 5.709 -13.470 10.409 1.00 0.00 C ATOM 616 O GLN A 40 5.685 -14.300 9.497 1.00 0.00 O ATOM 617 CB GLN A 40 3.656 -13.951 11.865 1.00 0.00 C ATOM 618 CG GLN A 40 2.751 -14.919 11.072 1.00 0.00 C ATOM 619 CD GLN A 40 2.172 -16.057 11.919 1.00 0.00 C ATOM 620 OE1 GLN A 40 2.340 -16.148 13.129 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.451 -16.977 11.312 1.00 0.00 N ATOM 0 H GLN A 40 2.693 -12.985 9.795 1.00 0.00 H new ATOM 0 HA GLN A 40 4.678 -12.089 11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.390 -14.534 12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.046 -13.422 12.598 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.931 -14.354 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.324 -15.346 10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.297 -16.922 10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.046 -17.744 11.849 1.00 0.00 H new ATOM 630 N SER A 41 6.859 -12.999 10.900 1.00 0.00 N ATOM 631 CA SER A 41 8.150 -13.239 10.246 1.00 0.00 C ATOM 632 C SER A 41 8.757 -14.612 10.533 1.00 0.00 C ATOM 633 O SER A 41 8.811 -15.032 11.694 1.00 0.00 O ATOM 634 CB SER A 41 9.172 -12.177 10.629 1.00 0.00 C ATOM 635 OG SER A 41 10.269 -12.259 9.743 1.00 0.00 O ATOM 0 H SER A 41 6.922 -12.445 11.754 1.00 0.00 H new ATOM 0 HA SER A 41 7.923 -13.194 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.722 -11.186 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.505 -12.327 11.656 1.00 0.00 H new ATOM 0 HG SER A 41 10.671 -11.372 9.637 1.00 0.00 H new ATOM 641 N PRO A 42 9.339 -15.263 9.510 1.00 0.00 N ATOM 642 CA PRO A 42 10.263 -16.370 9.703 1.00 0.00 C ATOM 643 C PRO A 42 11.596 -15.976 10.375 1.00 0.00 C ATOM 644 O PRO A 42 12.321 -16.865 10.828 1.00 0.00 O ATOM 645 CB PRO A 42 10.501 -16.959 8.305 1.00 0.00 C ATOM 646 CG PRO A 42 9.294 -16.497 7.492 1.00 0.00 C ATOM 647 CD PRO A 42 8.988 -15.134 8.104 1.00 0.00 C ATOM 0 HA PRO A 42 9.827 -17.090 10.395 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.434 -16.596 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.567 -18.047 8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.525 -16.422 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.453 -17.183 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.569 -14.347 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.936 -14.874 7.982 1.00 0.00 H new ATOM 655 N MET A 43 11.944 -14.677 10.424 1.00 0.00 N ATOM 656 CA MET A 43 13.276 -14.185 10.835 1.00 0.00 C ATOM 657 C MET A 43 13.293 -13.065 11.898 1.00 0.00 C ATOM 658 O MET A 43 14.365 -12.560 12.241 1.00 0.00 O ATOM 659 CB MET A 43 14.078 -13.796 9.586 1.00 0.00 C ATOM 660 CG MET A 43 13.695 -12.443 8.970 1.00 0.00 C ATOM 661 SD MET A 43 13.686 -12.420 7.157 1.00 0.00 S ATOM 662 CE MET A 43 12.201 -13.425 6.886 1.00 0.00 C ATOM 0 H MET A 43 11.299 -13.927 10.176 1.00 0.00 H new ATOM 0 HA MET A 43 13.750 -15.018 11.355 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.137 -13.775 9.843 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.948 -14.572 8.832 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.705 -12.161 9.330 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.392 -11.685 9.327 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.456 -14.296 6.282 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.804 -13.754 7.846 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.449 -12.831 6.367 1.00 0.00 H new ATOM 672 N PHE A 44 12.128 -12.665 12.417 1.00 0.00 N ATOM 673 CA PHE A 44 11.965 -11.592 13.408 1.00 0.00 C ATOM 674 C PHE A 44 10.946 -11.973 14.497 1.00 0.00 C ATOM 675 O PHE A 44 10.066 -12.810 14.284 1.00 0.00 O ATOM 676 CB PHE A 44 11.594 -10.284 12.685 1.00 0.00 C ATOM 677 CG PHE A 44 11.373 -9.095 13.601 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.471 -8.468 14.222 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.067 -8.640 13.868 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.263 -7.395 15.108 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.859 -7.566 14.753 1.00 0.00 C ATOM 682 CZ PHE A 44 10.956 -6.946 15.374 1.00 0.00 C ATOM 0 H PHE A 44 11.241 -13.093 12.151 1.00 0.00 H new ATOM 0 HA PHE A 44 12.910 -11.439 13.929 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.386 -10.038 11.978 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.688 -10.451 12.103 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.474 -8.812 14.018 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.223 -9.117 13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.106 -6.916 15.584 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.857 -7.219 14.955 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.796 -6.124 16.056 1.00 0.00 H new ATOM 692 N ASP A 45 11.055 -11.350 15.672 1.00 0.00 N ATOM 693 CA ASP A 45 10.276 -11.657 16.883 1.00 0.00 C ATOM 694 C ASP A 45 8.902 -10.946 16.908 1.00 0.00 C ATOM 695 O ASP A 45 8.507 -10.320 17.896 1.00 0.00 O ATOM 696 CB ASP A 45 11.153 -11.378 18.118 1.00 0.00 C ATOM 697 CG ASP A 45 10.535 -11.889 19.435 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.982 -13.016 19.457 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.647 -11.188 20.472 1.00 0.00 O ATOM 0 H ASP A 45 11.715 -10.585 15.816 1.00 0.00 H new ATOM 0 HA ASP A 45 10.014 -12.715 16.889 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.127 -11.847 17.976 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.324 -10.305 18.198 1.00 0.00 H new ATOM 704 N GLY A 46 8.183 -10.998 15.784 1.00 0.00 N ATOM 705 CA GLY A 46 6.904 -10.322 15.567 1.00 0.00 C ATOM 706 C GLY A 46 6.507 -10.273 14.092 1.00 0.00 C ATOM 707 O GLY A 46 6.917 -11.121 13.291 1.00 0.00 O ATOM 0 H GLY A 46 8.488 -11.532 14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.126 -10.835 16.132 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.964 -9.306 15.957 1.00 0.00 H new ATOM 711 N LYS A 47 5.695 -9.273 13.733 1.00 0.00 N ATOM 712 CA LYS A 47 5.136 -9.105 12.382 1.00 0.00 C ATOM 713 C LYS A 47 5.814 -7.966 11.623 1.00 0.00 C ATOM 714 O LYS A 47 6.219 -6.964 12.213 1.00 0.00 O ATOM 715 CB LYS A 47 3.600 -8.991 12.419 1.00 0.00 C ATOM 716 CG LYS A 47 2.969 -10.093 13.298 1.00 0.00 C ATOM 717 CD LYS A 47 1.680 -10.704 12.741 1.00 0.00 C ATOM 718 CE LYS A 47 0.508 -9.740 12.525 1.00 0.00 C ATOM 719 NZ LYS A 47 0.025 -9.121 13.789 1.00 0.00 N ATOM 0 H LYS A 47 5.401 -8.544 14.383 1.00 0.00 H new ATOM 0 HA LYS A 47 5.358 -10.008 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.316 -8.011 12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.205 -9.062 11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.700 -10.889 13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.760 -9.676 14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.911 -11.180 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.354 -11.492 13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.814 -8.953 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.314 -10.277 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.991 -9.313 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.546 -9.524 14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.182 -8.093 13.754 1.00 0.00 H new ATOM 733 N VAL A 48 5.961 -8.154 10.314 1.00 0.00 N ATOM 734 CA VAL A 48 6.812 -7.352 9.422 1.00 0.00 C ATOM 735 C VAL A 48 6.052 -6.918 8.160 1.00 0.00 C ATOM 736 O VAL A 48 5.253 -7.703 7.639 1.00 0.00 O ATOM 737 CB VAL A 48 8.098 -8.117 9.042 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.007 -8.295 10.267 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.840 -9.499 8.420 1.00 0.00 C ATOM 0 H VAL A 48 5.472 -8.900 9.819 1.00 0.00 H new ATOM 0 HA VAL A 48 7.097 -6.453 9.969 1.00 0.00 H new ATOM 0 HB VAL A 48 8.583 -7.501 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.907 -8.837 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.283 -7.317 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.477 -8.858 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.792 -9.974 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.293 -10.121 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.252 -9.384 7.509 1.00 0.00 H new ATOM 749 N PRO A 49 6.257 -5.683 7.661 1.00 0.00 N ATOM 750 CA PRO A 49 5.558 -5.183 6.482 1.00 0.00 C ATOM 751 C PRO A 49 6.225 -5.648 5.176 1.00 0.00 C ATOM 752 O PRO A 49 7.425 -5.455 4.969 1.00 0.00 O ATOM 753 CB PRO A 49 5.571 -3.658 6.625 1.00 0.00 C ATOM 754 CG PRO A 49 6.875 -3.387 7.376 1.00 0.00 C ATOM 755 CD PRO A 49 7.022 -4.607 8.284 1.00 0.00 C ATOM 0 HA PRO A 49 4.541 -5.570 6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.555 -3.163 5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.705 -3.298 7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.719 -3.290 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.823 -2.462 7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.070 -4.887 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.646 -4.393 9.285 1.00 0.00 H new ATOM 763 N HIS A 50 5.446 -6.228 4.258 1.00 0.00 N ATOM 764 CA HIS A 50 5.881 -6.563 2.896 1.00 0.00 C ATOM 765 C HIS A 50 5.535 -5.413 1.967 1.00 0.00 C ATOM 766 O HIS A 50 4.375 -5.267 1.609 1.00 0.00 O ATOM 767 CB HIS A 50 5.246 -7.891 2.443 1.00 0.00 C ATOM 768 CG HIS A 50 5.959 -9.110 2.975 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.018 -10.358 2.349 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.688 -9.161 4.126 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.777 -11.131 3.145 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.205 -10.434 4.212 1.00 0.00 N ATOM 0 H HIS A 50 4.476 -6.483 4.443 1.00 0.00 H new ATOM 0 HA HIS A 50 6.961 -6.705 2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.206 -7.917 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.240 -7.929 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.832 -8.358 4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.011 -12.168 2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.808 -10.787 4.955 1.00 0.00 H new ATOM 780 N TRP A 51 6.517 -4.578 1.627 1.00 0.00 N ATOM 781 CA TRP A 51 6.327 -3.371 0.825 1.00 0.00 C ATOM 782 C TRP A 51 6.202 -3.684 -0.668 1.00 0.00 C ATOM 783 O TRP A 51 6.887 -4.550 -1.207 1.00 0.00 O ATOM 784 CB TRP A 51 7.493 -2.406 1.050 1.00 0.00 C ATOM 785 CG TRP A 51 7.589 -1.826 2.423 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.436 -2.225 3.399 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.815 -0.725 2.989 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.244 -1.448 4.524 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.248 -0.516 4.334 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.785 0.110 2.504 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.685 0.468 5.158 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.202 1.092 3.328 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.652 1.273 4.649 1.00 0.00 C ATOM 0 H TRP A 51 7.486 -4.726 1.908 1.00 0.00 H new ATOM 0 HA TRP A 51 5.393 -2.910 1.147 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.423 -2.929 0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.409 -1.589 0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.153 -3.028 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.774 -1.551 5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.440 -0.006 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.040 0.605 6.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.404 1.710 2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.203 2.032 5.272 1.00 0.00 H new ATOM 804 N TYR A 52 5.377 -2.917 -1.362 1.00 0.00 N ATOM 805 CA TYR A 52 5.296 -2.905 -2.813 1.00 0.00 C ATOM 806 C TYR A 52 4.935 -1.486 -3.285 1.00 0.00 C ATOM 807 O TYR A 52 4.416 -0.671 -2.513 1.00 0.00 O ATOM 808 CB TYR A 52 4.310 -3.971 -3.345 1.00 0.00 C ATOM 809 CG TYR A 52 3.913 -5.165 -2.479 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.074 -5.010 -1.353 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.313 -6.460 -2.865 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.644 -6.140 -0.625 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.892 -7.589 -2.135 1.00 0.00 C ATOM 814 CZ TYR A 52 3.061 -7.431 -1.007 1.00 0.00 C ATOM 815 OH TYR A 52 2.672 -8.517 -0.286 1.00 0.00 O ATOM 0 H TYR A 52 4.727 -2.268 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 52 6.268 -3.173 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.391 -3.451 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.735 -4.370 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.760 -4.023 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.948 -6.588 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.993 -6.015 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.206 -8.576 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 52 3.048 -9.328 -0.688 1.00 0.00 H new ATOM 825 N HIS A 53 5.174 -1.173 -4.560 1.00 0.00 N ATOM 826 CA HIS A 53 4.585 0.027 -5.183 1.00 0.00 C ATOM 827 C HIS A 53 3.051 0.012 -5.035 1.00 0.00 C ATOM 828 O HIS A 53 2.452 -1.064 -4.941 1.00 0.00 O ATOM 829 CB HIS A 53 4.955 0.109 -6.673 1.00 0.00 C ATOM 830 CG HIS A 53 6.431 0.235 -6.971 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.281 -0.740 -7.509 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.140 1.393 -6.832 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.469 -0.146 -7.686 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.411 1.132 -7.289 1.00 0.00 N ATOM 0 H HIS A 53 5.765 -1.725 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 53 4.988 0.901 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.576 -0.782 -7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.439 0.964 -7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.775 2.331 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.347 -0.628 -8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.181 1.800 -7.320 1.00 0.00 H new ATOM 842 N PHE A 54 2.396 1.181 -5.066 1.00 0.00 N ATOM 843 CA PHE A 54 0.926 1.252 -5.014 1.00 0.00 C ATOM 844 C PHE A 54 0.271 0.349 -6.078 1.00 0.00 C ATOM 845 O PHE A 54 -0.679 -0.369 -5.779 1.00 0.00 O ATOM 846 CB PHE A 54 0.452 2.703 -5.200 1.00 0.00 C ATOM 847 CG PHE A 54 -1.029 2.822 -5.542 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.014 2.687 -4.542 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.422 2.986 -6.885 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.378 2.684 -4.893 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.785 2.975 -7.232 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.761 2.800 -6.238 1.00 0.00 C ATOM 0 H PHE A 54 2.858 2.089 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 54 0.618 0.893 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.651 3.262 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.038 3.169 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.722 2.586 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.673 3.121 -7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.131 2.592 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.081 3.101 -8.263 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.806 2.755 -6.508 1.00 0.00 H new ATOM 862 N SER A 55 0.804 0.342 -7.303 1.00 0.00 N ATOM 863 CA SER A 55 0.303 -0.448 -8.427 1.00 0.00 C ATOM 864 C SER A 55 0.579 -1.942 -8.247 1.00 0.00 C ATOM 865 O SER A 55 -0.279 -2.769 -8.557 1.00 0.00 O ATOM 866 CB SER A 55 0.955 0.062 -9.715 1.00 0.00 C ATOM 867 OG SER A 55 2.368 0.094 -9.578 1.00 0.00 O ATOM 0 H SER A 55 1.620 0.903 -7.545 1.00 0.00 H new ATOM 0 HA SER A 55 -0.779 -0.330 -8.478 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.679 -0.583 -10.549 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.583 1.060 -9.947 1.00 0.00 H new ATOM 0 HG SER A 55 2.770 0.420 -10.410 1.00 0.00 H new ATOM 873 N CYS A 56 1.753 -2.285 -7.715 1.00 0.00 N ATOM 874 CA CYS A 56 2.209 -3.649 -7.493 1.00 0.00 C ATOM 875 C CYS A 56 1.379 -4.420 -6.453 1.00 0.00 C ATOM 876 O CYS A 56 1.143 -5.614 -6.630 1.00 0.00 O ATOM 877 CB CYS A 56 3.689 -3.615 -7.125 1.00 0.00 C ATOM 878 SG CYS A 56 4.704 -3.096 -8.558 1.00 0.00 S ATOM 0 H CYS A 56 2.436 -1.589 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 56 2.067 -4.204 -8.420 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.846 -2.927 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.007 -4.601 -6.787 1.00 0.00 H new ATOM 883 N PHE A 57 0.880 -3.754 -5.408 1.00 0.00 N ATOM 884 CA PHE A 57 -0.095 -4.335 -4.475 1.00 0.00 C ATOM 885 C PHE A 57 -1.277 -4.975 -5.228 1.00 0.00 C ATOM 886 O PHE A 57 -1.652 -6.122 -4.975 1.00 0.00 O ATOM 887 CB PHE A 57 -0.586 -3.237 -3.527 1.00 0.00 C ATOM 888 CG PHE A 57 -1.556 -3.736 -2.475 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.902 -3.979 -2.813 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.116 -3.971 -1.159 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.794 -4.481 -1.855 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.024 -4.425 -0.187 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.358 -4.697 -0.538 1.00 0.00 C ATOM 0 H PHE A 57 1.140 -2.794 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 57 0.387 -5.127 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.273 -2.784 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.067 -2.452 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.249 -3.777 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.082 -3.803 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.815 -4.701 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.696 -4.565 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.047 -5.072 0.205 1.00 0.00 H new ATOM 903 N TRP A 58 -1.824 -4.265 -6.218 1.00 0.00 N ATOM 904 CA TRP A 58 -2.941 -4.735 -7.043 1.00 0.00 C ATOM 905 C TRP A 58 -2.524 -5.768 -8.109 1.00 0.00 C ATOM 906 O TRP A 58 -3.380 -6.504 -8.603 1.00 0.00 O ATOM 907 CB TRP A 58 -3.645 -3.522 -7.655 1.00 0.00 C ATOM 908 CG TRP A 58 -4.008 -2.444 -6.671 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.403 -1.237 -6.610 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.969 -2.454 -5.561 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.862 -0.531 -5.519 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.833 -1.226 -4.835 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.946 -3.361 -5.086 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.613 -0.921 -3.710 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.730 -3.067 -3.955 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.564 -1.853 -3.270 1.00 0.00 C ATOM 0 H TRP A 58 -1.498 -3.333 -6.473 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.637 -5.274 -6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.000 -3.093 -8.422 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.553 -3.860 -8.155 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.667 -0.878 -7.314 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.524 0.393 -5.251 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.093 -4.298 -5.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.483 0.017 -3.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.465 -3.780 -3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.170 -1.636 -2.403 1.00 0.00 H new ATOM 927 N LYS A 59 -1.222 -5.888 -8.420 1.00 0.00 N ATOM 928 CA LYS A 59 -0.655 -6.999 -9.216 1.00 0.00 C ATOM 929 C LYS A 59 -0.543 -8.288 -8.391 1.00 0.00 C ATOM 930 O LYS A 59 -0.660 -9.377 -8.953 1.00 0.00 O ATOM 931 CB LYS A 59 0.720 -6.639 -9.801 1.00 0.00 C ATOM 932 CG LYS A 59 0.658 -5.432 -10.740 1.00 0.00 C ATOM 933 CD LYS A 59 2.065 -4.932 -11.095 1.00 0.00 C ATOM 934 CE LYS A 59 1.962 -3.437 -11.403 1.00 0.00 C ATOM 935 NZ LYS A 59 3.258 -2.740 -11.224 1.00 0.00 N ATOM 0 H LYS A 59 -0.521 -5.209 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.348 -7.171 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.414 -6.427 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.117 -7.497 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.125 -5.704 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.092 -4.629 -10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.753 -5.106 -10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.458 -5.474 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.617 -3.301 -12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.214 -2.984 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.178 -1.763 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.510 -2.729 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.997 -3.238 -11.760 1.00 0.00 H new ATOM 949 N VAL A 60 -0.345 -8.182 -7.069 1.00 0.00 N ATOM 950 CA VAL A 60 -0.495 -9.321 -6.135 1.00 0.00 C ATOM 951 C VAL A 60 -1.986 -9.653 -5.944 1.00 0.00 C ATOM 952 O VAL A 60 -2.361 -10.825 -5.887 1.00 0.00 O ATOM 953 CB VAL A 60 0.203 -9.056 -4.784 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.160 -10.292 -3.877 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.686 -8.712 -4.962 1.00 0.00 C ATOM 0 H VAL A 60 -0.077 -7.310 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 60 0.000 -10.187 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.338 -8.220 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.661 -10.069 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.877 -10.564 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.666 -11.122 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.138 -8.533 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.196 -9.542 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.781 -7.816 -5.575 1.00 0.00 H new ATOM 965 N GLY A 61 -2.848 -8.630 -5.945 1.00 0.00 N ATOM 966 CA GLY A 61 -4.298 -8.773 -6.132 1.00 0.00 C ATOM 967 C GLY A 61 -5.097 -9.084 -4.862 1.00 0.00 C ATOM 968 O GLY A 61 -6.145 -9.730 -4.946 1.00 0.00 O ATOM 0 H GLY A 61 -2.553 -7.662 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.684 -7.851 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.477 -9.567 -6.857 1.00 0.00 H new ATOM 972 N HIS A 62 -4.627 -8.646 -3.689 1.00 0.00 N ATOM 973 CA HIS A 62 -5.386 -8.756 -2.433 1.00 0.00 C ATOM 974 C HIS A 62 -6.636 -7.863 -2.459 1.00 0.00 C ATOM 975 O HIS A 62 -6.546 -6.663 -2.730 1.00 0.00 O ATOM 976 CB HIS A 62 -4.497 -8.401 -1.232 1.00 0.00 C ATOM 977 CG HIS A 62 -3.458 -9.451 -0.928 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.648 -10.564 -0.104 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.176 -9.462 -1.396 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.471 -11.215 -0.087 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.573 -10.578 -0.857 1.00 0.00 N ATOM 0 H HIS A 62 -3.713 -8.206 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.714 -9.790 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.998 -7.452 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.126 -8.257 -0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.723 -8.739 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.276 -12.121 0.467 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.609 -10.871 -1.016 1.00 0.00 H new ATOM 989 N SER A 63 -7.801 -8.436 -2.148 1.00 0.00 N ATOM 990 CA SER A 63 -9.073 -7.705 -2.066 1.00 0.00 C ATOM 991 C SER A 63 -9.240 -7.069 -0.689 1.00 0.00 C ATOM 992 O SER A 63 -9.303 -7.762 0.332 1.00 0.00 O ATOM 993 CB SER A 63 -10.263 -8.621 -2.379 1.00 0.00 C ATOM 994 OG SER A 63 -10.165 -9.130 -3.701 1.00 0.00 O ATOM 0 H SER A 63 -7.891 -9.431 -1.943 1.00 0.00 H new ATOM 0 HA SER A 63 -9.050 -6.914 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.292 -9.446 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.195 -8.068 -2.264 1.00 0.00 H new ATOM 0 HG SER A 63 -10.931 -9.714 -3.884 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.341 -5.741 -0.667 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.501 -4.947 0.548 1.00 0.00 C ATOM 1002 C ILE A 64 -10.998 -4.647 0.699 1.00 0.00 C ATOM 1003 O ILE A 64 -11.599 -3.991 -0.154 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.632 -3.672 0.482 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.166 -3.955 0.079 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.701 -2.937 1.832 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.267 -2.715 0.152 1.00 0.00 C ATOM 0 H ILE A 64 -9.313 -5.174 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.157 -5.489 1.429 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.039 -3.038 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.760 -4.728 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.145 -4.351 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.088 -2.037 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.734 -2.663 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.329 -3.590 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.253 -2.983 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.650 -1.948 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.259 -2.331 1.172 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.605 -5.147 1.781 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.072 -5.166 1.973 1.00 0.00 C ATOM 1021 C ARG A 65 -13.610 -3.994 2.802 1.00 0.00 C ATOM 1022 O ARG A 65 -14.780 -3.633 2.684 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.556 -6.535 2.502 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.684 -7.248 3.556 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.602 -8.136 2.912 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.836 -8.892 3.920 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.716 -9.564 3.711 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.086 -9.548 2.570 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.198 -10.281 4.666 1.00 0.00 N ATOM 0 H ARG A 65 -11.091 -5.556 2.561 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.503 -5.023 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.550 -6.397 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.664 -7.204 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.208 -6.504 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.319 -7.859 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.071 -8.832 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.921 -7.514 2.331 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.206 -8.897 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.454 -9.001 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.225 -10.082 2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.656 -10.325 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.334 -10.799 4.504 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.739 -3.377 3.601 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.979 -2.141 4.354 1.00 0.00 C ATOM 1045 C HIS A 66 -11.671 -1.339 4.473 1.00 0.00 C ATOM 1046 O HIS A 66 -10.990 -1.400 5.499 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.675 -2.424 5.704 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.214 -3.592 6.555 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.965 -4.131 7.607 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.045 -4.292 6.460 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.233 -5.133 8.118 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.076 -5.255 7.446 1.00 0.00 N ATOM 0 H HIS A 66 -11.798 -3.743 3.749 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.681 -1.512 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.587 -1.523 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.736 -2.568 5.500 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.249 -4.124 5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.531 -5.753 8.951 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.346 -5.942 7.633 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.260 -0.618 3.409 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.933 -0.006 3.336 1.00 0.00 C ATOM 1062 C PRO A 67 -9.680 1.069 4.396 1.00 0.00 C ATOM 1063 O PRO A 67 -8.560 1.190 4.885 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.807 0.557 1.912 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.256 0.729 1.463 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.965 -0.432 2.146 1.00 0.00 C ATOM 0 HA PRO A 67 -9.172 -0.757 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.269 1.505 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.263 -0.125 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.664 1.691 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.351 0.679 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.019 -0.208 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.924 -1.334 1.535 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.720 1.784 4.826 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.639 2.788 5.893 1.00 0.00 C ATOM 1076 C ASP A 68 -10.310 2.165 7.267 1.00 0.00 C ATOM 1077 O ASP A 68 -9.831 2.852 8.172 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.990 3.521 5.905 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.995 4.851 6.673 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.223 4.858 7.906 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.869 5.906 6.005 1.00 0.00 O ATOM 0 H ASP A 68 -11.658 1.682 4.438 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.821 3.481 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.293 3.711 4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.741 2.863 6.342 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.532 0.851 7.408 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.328 0.071 8.635 1.00 0.00 C ATOM 1088 C VAL A 69 -8.989 -0.674 8.608 1.00 0.00 C ATOM 1089 O VAL A 69 -8.308 -0.756 9.631 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.493 -0.923 8.838 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.401 -1.658 10.180 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.856 -0.219 8.782 1.00 0.00 C ATOM 0 H VAL A 69 -10.874 0.278 6.636 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.305 0.766 9.474 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.408 -1.641 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.241 -2.345 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.467 -2.218 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.429 -0.934 10.994 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.650 -0.951 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.908 0.535 9.567 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.979 0.259 7.810 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.601 -1.211 7.447 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.472 -2.155 7.329 1.00 0.00 C ATOM 1104 C GLU A 70 -6.204 -1.594 6.675 1.00 0.00 C ATOM 1105 O GLU A 70 -5.116 -2.098 6.948 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.926 -3.430 6.600 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.764 -4.357 7.491 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.980 -4.977 8.667 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.726 -4.984 8.645 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.634 -5.475 9.615 1.00 0.00 O ATOM 0 H GLU A 70 -9.058 -1.007 6.558 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.181 -2.375 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.509 -3.153 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.050 -3.971 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.610 -3.795 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.174 -5.160 6.878 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.307 -0.549 5.849 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.151 0.183 5.313 1.00 0.00 C ATOM 1119 C VAL A 71 -4.661 1.200 6.341 1.00 0.00 C ATOM 1120 O VAL A 71 -5.173 2.311 6.472 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.456 0.799 3.947 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.144 1.307 3.371 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.988 -0.258 2.971 1.00 0.00 C ATOM 0 H VAL A 71 -7.203 -0.182 5.529 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.335 -0.517 5.135 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.199 1.586 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.325 1.754 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.719 2.056 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.447 0.476 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.196 0.208 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.242 -1.042 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.905 -0.693 3.370 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.621 0.806 7.066 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.819 1.674 7.921 1.00 0.00 C ATOM 1135 C ASP A 72 -2.127 2.785 7.107 1.00 0.00 C ATOM 1136 O ASP A 72 -1.753 2.577 5.956 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.803 0.793 8.655 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.047 1.572 9.726 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.712 2.158 10.610 1.00 0.00 O ATOM 1140 OD2 ASP A 72 0.202 1.578 9.678 1.00 0.00 O ATOM 0 H ASP A 72 -3.301 -0.162 7.075 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.457 2.184 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.318 -0.050 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.094 0.380 7.937 1.00 0.00 H new ATOM 1145 N GLY A 73 -1.979 3.986 7.663 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.294 5.120 7.017 1.00 0.00 C ATOM 1147 C GLY A 73 -2.129 5.869 5.966 1.00 0.00 C ATOM 1148 O GLY A 73 -1.769 6.975 5.566 1.00 0.00 O ATOM 0 H GLY A 73 -2.336 4.209 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.988 5.827 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.384 4.753 6.542 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.302 5.342 5.599 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.335 6.013 4.793 1.00 0.00 C ATOM 1154 C PHE A 74 -4.773 7.364 5.393 1.00 0.00 C ATOM 1155 O PHE A 74 -5.167 8.275 4.666 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.517 5.034 4.719 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.744 5.520 3.979 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.760 6.201 4.676 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -6.895 5.250 2.606 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.916 6.627 4.002 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.059 5.661 1.936 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.063 6.356 2.631 1.00 0.00 C ATOM 0 H PHE A 74 -3.572 4.395 5.866 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.944 6.254 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.172 4.116 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.811 4.775 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.650 6.396 5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.117 4.728 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.689 7.161 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.182 5.443 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.951 6.683 2.110 1.00 0.00 H new ATOM 1172 N SER A 75 -4.647 7.529 6.712 1.00 0.00 N ATOM 1173 CA SER A 75 -4.833 8.795 7.436 1.00 0.00 C ATOM 1174 C SER A 75 -3.852 9.907 7.027 1.00 0.00 C ATOM 1175 O SER A 75 -4.160 11.087 7.201 1.00 0.00 O ATOM 1176 CB SER A 75 -4.676 8.534 8.939 1.00 0.00 C ATOM 1177 OG SER A 75 -3.509 7.763 9.198 1.00 0.00 O ATOM 0 H SER A 75 -4.403 6.756 7.332 1.00 0.00 H new ATOM 0 HA SER A 75 -5.831 9.150 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.617 9.482 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.555 8.010 9.316 1.00 0.00 H new ATOM 0 HG SER A 75 -3.426 7.609 10.162 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.686 9.560 6.472 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.656 10.511 6.029 1.00 0.00 C ATOM 1185 C GLU A 76 -1.833 10.953 4.561 1.00 0.00 C ATOM 1186 O GLU A 76 -1.260 11.963 4.144 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.252 9.913 6.236 1.00 0.00 C ATOM 1188 CG GLU A 76 0.012 9.444 7.675 1.00 0.00 C ATOM 1189 CD GLU A 76 1.489 9.052 7.855 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.846 7.874 7.618 1.00 0.00 O ATOM 1191 OE2 GLU A 76 2.315 9.921 8.221 1.00 0.00 O ATOM 0 H GLU A 76 -2.424 8.587 6.314 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.771 11.404 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.122 9.069 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.495 10.658 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.247 10.238 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.627 8.592 7.909 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.632 10.219 3.775 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.950 10.541 2.378 1.00 0.00 C ATOM 1200 C LEU A 77 -3.860 11.776 2.275 1.00 0.00 C ATOM 1201 O LEU A 77 -4.723 12.010 3.127 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.617 9.333 1.689 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.675 8.285 1.077 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.600 7.759 2.025 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.516 7.114 0.569 1.00 0.00 C ATOM 0 H LEU A 77 -3.085 9.365 4.101 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.013 10.772 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.254 8.834 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.269 9.708 0.900 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.137 8.787 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.984 7.025 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.974 8.586 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.073 7.290 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.862 6.360 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.069 6.676 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.217 7.470 -0.186 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.717 12.531 1.181 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.683 13.562 0.769 1.00 0.00 C ATOM 1219 C ARG A 78 -5.951 12.951 0.186 1.00 0.00 C ATOM 1220 O ARG A 78 -5.971 11.789 -0.225 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.028 14.554 -0.215 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.056 15.525 0.472 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.785 16.434 1.475 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.893 17.484 2.008 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.018 17.370 2.994 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.828 16.251 3.636 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.302 18.395 3.356 1.00 0.00 N ATOM 0 H ARG A 78 -2.921 12.445 0.549 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.982 14.114 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.493 13.996 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.807 15.125 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.280 14.960 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.558 16.137 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.643 16.898 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.171 15.832 2.298 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.959 18.401 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.364 15.421 3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.143 16.206 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.415 19.290 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.628 18.304 4.117 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.007 13.763 0.132 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.349 13.337 -0.271 1.00 0.00 C ATOM 1243 C TRP A 79 -8.371 12.635 -1.643 1.00 0.00 C ATOM 1244 O TRP A 79 -9.083 11.646 -1.818 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.316 14.537 -0.198 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.295 14.671 -1.324 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.531 14.125 -1.389 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.100 15.365 -2.593 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.110 14.438 -2.606 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.269 15.199 -3.391 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.034 16.100 -3.150 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.380 15.746 -4.678 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.128 16.648 -4.444 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.299 16.474 -5.207 1.00 0.00 C ATOM 0 H TRP A 79 -6.954 14.753 0.371 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.690 12.577 0.432 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.875 14.469 0.735 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.724 15.451 -0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.994 13.536 -0.611 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.044 14.142 -2.888 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.131 16.245 -2.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.283 15.610 -5.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.298 17.205 -4.853 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.367 16.899 -6.197 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.543 13.084 -2.594 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.483 12.514 -3.944 1.00 0.00 C ATOM 1267 C ASP A 80 -6.833 11.117 -3.999 1.00 0.00 C ATOM 1268 O ASP A 80 -7.198 10.297 -4.840 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.784 13.485 -4.902 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.961 13.045 -6.367 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.115 12.776 -6.783 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.950 12.995 -7.109 1.00 0.00 O ATOM 0 H ASP A 80 -6.893 13.856 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.515 12.371 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.191 14.487 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.722 13.537 -4.661 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.897 10.811 -3.097 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.294 9.485 -2.967 1.00 0.00 C ATOM 1279 C ASP A 81 -6.176 8.578 -2.107 1.00 0.00 C ATOM 1280 O ASP A 81 -6.334 7.409 -2.441 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.868 9.584 -2.414 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.898 10.165 -3.450 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.702 9.522 -4.510 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.318 11.244 -3.191 1.00 0.00 O ATOM 0 H ASP A 81 -5.532 11.488 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.225 9.036 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.866 10.210 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.526 8.595 -2.110 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.833 9.114 -1.071 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.838 8.391 -0.290 1.00 0.00 C ATOM 1291 C GLN A 82 -8.993 7.893 -1.169 1.00 0.00 C ATOM 1292 O GLN A 82 -9.293 6.697 -1.162 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.375 9.284 0.840 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.383 9.387 2.005 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.891 10.252 3.158 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.816 11.049 3.038 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.303 10.138 4.327 1.00 0.00 N ATOM 0 H GLN A 82 -6.679 10.070 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.353 7.516 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.581 10.280 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.321 8.882 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.167 8.386 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.443 9.799 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.532 9.481 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.617 10.706 5.114 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.601 8.764 -1.985 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.701 8.365 -2.873 1.00 0.00 C ATOM 1308 C GLN A 83 -10.251 7.398 -3.980 1.00 0.00 C ATOM 1309 O GLN A 83 -11.045 6.567 -4.414 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.442 9.596 -3.428 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.689 10.375 -4.523 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.400 11.664 -4.954 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.545 11.937 -4.612 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.771 12.509 -5.744 1.00 0.00 N ATOM 0 H GLN A 83 -9.349 9.750 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.413 7.804 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.402 9.272 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.655 10.275 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.691 10.623 -4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.561 9.731 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.817 12.311 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.237 13.362 -6.053 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.978 7.440 -4.399 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.387 6.564 -5.406 1.00 0.00 C ATOM 1325 C LYS A 84 -8.059 5.207 -4.798 1.00 0.00 C ATOM 1326 O LYS A 84 -8.336 4.199 -5.435 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.179 7.310 -5.998 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.322 6.534 -7.004 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.174 5.759 -6.339 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.150 6.593 -5.549 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.501 7.650 -6.367 1.00 0.00 N ATOM 0 H LYS A 84 -8.310 8.115 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.076 6.340 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.542 8.215 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.537 7.627 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.956 5.836 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.909 7.230 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.607 5.021 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.641 5.208 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.648 7.056 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.383 5.930 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.968 8.291 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.852 7.211 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.229 8.189 -6.878 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.556 5.148 -3.564 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.321 3.875 -2.846 1.00 0.00 C ATOM 1347 C VAL A 85 -8.651 3.182 -2.546 1.00 0.00 C ATOM 1348 O VAL A 85 -8.799 1.997 -2.849 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.502 4.101 -1.552 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.469 2.883 -0.612 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.043 4.453 -1.865 1.00 0.00 C ATOM 0 H VAL A 85 -7.297 5.975 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.732 3.223 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.017 4.922 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.876 3.121 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.485 2.629 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.023 2.035 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.498 4.605 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.584 3.638 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.008 5.366 -2.459 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.652 3.922 -2.046 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.011 3.396 -1.833 1.00 0.00 C ATOM 1363 C LYS A 86 -11.639 2.910 -3.143 1.00 0.00 C ATOM 1364 O LYS A 86 -12.100 1.771 -3.207 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.896 4.443 -1.131 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.514 4.596 0.351 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.514 5.467 1.123 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.294 5.278 2.629 1.00 0.00 C ATOM 1369 NZ LYS A 86 -12.939 6.344 3.441 1.00 0.00 N ATOM 0 H LYS A 86 -9.544 4.900 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.937 2.528 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.796 5.404 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.943 4.149 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.461 3.611 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.520 5.037 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.384 6.515 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.535 5.193 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.689 4.308 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.224 5.266 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.676 6.227 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.621 7.276 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.972 6.276 3.345 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.568 3.709 -4.216 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.097 3.329 -5.539 1.00 0.00 C ATOM 1385 C LYS A 87 -11.370 2.120 -6.124 1.00 0.00 C ATOM 1386 O LYS A 87 -12.021 1.221 -6.639 1.00 0.00 O ATOM 1387 CB LYS A 87 -12.074 4.531 -6.489 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.704 4.186 -7.848 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.990 5.469 -8.629 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.576 5.140 -10.006 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.878 6.372 -10.782 1.00 0.00 N ATOM 0 H LYS A 87 -11.144 4.636 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.135 3.023 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.613 5.364 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.045 4.860 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.032 3.545 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.628 3.627 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.687 6.094 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.071 6.043 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.872 4.522 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.487 4.554 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.273 6.111 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.569 6.950 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.004 6.918 -10.920 1.00 0.00 H new ATOM 1405 N THR A 88 -10.047 2.045 -5.989 1.00 0.00 N ATOM 1406 CA THR A 88 -9.234 0.921 -6.475 1.00 0.00 C ATOM 1407 C THR A 88 -9.543 -0.385 -5.736 1.00 0.00 C ATOM 1408 O THR A 88 -9.586 -1.445 -6.361 1.00 0.00 O ATOM 1409 CB THR A 88 -7.736 1.244 -6.412 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.451 2.389 -7.182 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.912 0.136 -7.043 1.00 0.00 C ATOM 0 H THR A 88 -9.497 2.773 -5.532 1.00 0.00 H new ATOM 0 HA THR A 88 -9.505 0.771 -7.520 1.00 0.00 H new ATOM 0 HB THR A 88 -7.493 1.378 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.537 3.189 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.854 0.391 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.090 -0.798 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.200 0.018 -8.088 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.841 -0.320 -4.435 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.258 -1.471 -3.644 1.00 0.00 C ATOM 1421 C ALA A 89 -11.667 -1.943 -4.046 1.00 0.00 C ATOM 1422 O ALA A 89 -11.906 -3.147 -4.155 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.180 -1.083 -2.167 1.00 0.00 C ATOM 0 H ALA A 89 -9.797 0.547 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.595 -2.316 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.488 -1.929 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.156 -0.806 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.841 -0.237 -1.978 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.578 -1.010 -4.354 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.904 -1.338 -4.900 1.00 0.00 C ATOM 1431 C GLU A 90 -13.836 -1.895 -6.336 1.00 0.00 C ATOM 1432 O GLU A 90 -14.612 -2.777 -6.709 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.833 -0.112 -4.866 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.229 0.300 -3.444 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.257 1.448 -3.472 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.856 2.634 -3.557 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.481 1.170 -3.404 1.00 0.00 O ATOM 0 H GLU A 90 -12.418 -0.010 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.310 -2.121 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.338 0.726 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.734 -0.330 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.648 -0.557 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.343 0.613 -2.891 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.883 -1.404 -7.131 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.628 -1.791 -8.517 1.00 0.00 C ATOM 1446 C ALA A 91 -11.868 -3.129 -8.666 1.00 0.00 C ATOM 1447 O ALA A 91 -11.775 -3.665 -9.773 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.867 -0.630 -9.173 1.00 0.00 C ATOM 0 H ALA A 91 -12.234 -0.687 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.580 -1.973 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.654 -0.876 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.475 0.274 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.930 -0.462 -8.641 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.324 -3.677 -7.571 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.548 -4.922 -7.568 1.00 0.00 C ATOM 1456 C GLY A 92 -9.127 -4.785 -8.139 1.00 0.00 C ATOM 1457 O GLY A 92 -8.580 -5.765 -8.649 1.00 0.00 O ATOM 0 H GLY A 92 -11.413 -3.258 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.481 -5.292 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.087 -5.674 -8.144 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.533 -3.588 -8.071 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.178 -3.293 -8.541 1.00 0.00 C ATOM 1463 C GLY A 93 -7.105 -2.518 -9.862 1.00 0.00 C ATOM 1464 O GLY A 93 -7.952 -2.675 -10.745 1.00 0.00 O ATOM 0 H GLY A 93 -8.999 -2.772 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.659 -2.720 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.638 -4.232 -8.658 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.069 -1.678 -9.988 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.814 -0.804 -11.161 1.00 0.00 C ATOM 1470 C VAL A 94 -4.459 -1.039 -11.850 1.00 0.00 C ATOM 1471 O VAL A 94 -4.358 -0.881 -13.066 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.003 0.676 -10.763 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -4.868 1.208 -9.877 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -6.149 1.591 -11.981 1.00 0.00 C ATOM 0 H VAL A 94 -5.360 -1.578 -9.261 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.552 -1.077 -11.915 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.929 0.693 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.058 2.253 -9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.818 0.622 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.921 1.127 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.279 2.621 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.254 1.520 -12.599 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.018 1.285 -12.564 1.00 0.00 H new ATOM 1484 N THR A 95 -3.438 -1.484 -11.106 1.00 0.00 N ATOM 1485 CA THR A 95 -2.076 -1.790 -11.604 1.00 0.00 C ATOM 1486 C THR A 95 -1.382 -0.595 -12.294 1.00 0.00 C ATOM 1487 O THR A 95 -1.581 0.546 -11.868 1.00 0.00 O ATOM 1488 CB THR A 95 -2.038 -3.123 -12.389 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.524 -2.995 -13.706 1.00 0.00 O ATOM 1490 CG2 THR A 95 -2.840 -4.231 -11.704 1.00 0.00 C ATOM 0 H THR A 95 -3.533 -1.649 -10.104 1.00 0.00 H new ATOM 0 HA THR A 95 -1.447 -1.958 -10.730 1.00 0.00 H new ATOM 0 HB THR A 95 -0.982 -3.392 -12.414 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.145 -2.239 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.779 -5.144 -12.297 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.431 -4.416 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.882 -3.924 -11.616 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.510 -0.828 -13.283 1.00 0.00 N ATOM 1499 CA GLY A 96 0.309 0.196 -13.952 1.00 0.00 C ATOM 1500 C GLY A 96 1.798 0.177 -13.570 1.00 0.00 C ATOM 1501 O GLY A 96 2.211 -0.537 -12.653 1.00 0.00 O ATOM 0 H GLY A 96 -0.348 -1.765 -13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.223 0.063 -15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.100 1.179 -13.718 1.00 0.00 H new ATOM 1505 N LYS A 97 2.620 0.949 -14.294 1.00 0.00 N ATOM 1506 CA LYS A 97 4.090 1.029 -14.143 1.00 0.00 C ATOM 1507 C LYS A 97 4.616 2.465 -14.316 1.00 0.00 C ATOM 1508 O LYS A 97 3.997 3.276 -15.009 1.00 0.00 O ATOM 1509 CB LYS A 97 4.780 0.109 -15.174 1.00 0.00 C ATOM 1510 CG LYS A 97 4.486 -1.388 -14.981 1.00 0.00 C ATOM 1511 CD LYS A 97 5.270 -2.228 -16.001 1.00 0.00 C ATOM 1512 CE LYS A 97 4.962 -3.720 -15.824 1.00 0.00 C ATOM 1513 NZ LYS A 97 5.701 -4.549 -16.814 1.00 0.00 N ATOM 0 H LYS A 97 2.271 1.561 -15.031 1.00 0.00 H new ATOM 0 HA LYS A 97 4.325 0.703 -13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.465 0.403 -16.175 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.857 0.266 -15.120 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.756 -1.690 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.418 -1.572 -15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.011 -1.916 -17.013 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.339 -2.055 -15.877 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.230 -4.031 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.891 -3.887 -15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.471 -5.553 -16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.426 -4.268 -17.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.724 -4.407 -16.691 1.00 0.00 H new ATOM 1527 N GLY A 98 5.784 2.754 -13.734 1.00 0.00 N ATOM 1528 CA GLY A 98 6.546 3.992 -13.957 1.00 0.00 C ATOM 1529 C GLY A 98 7.508 4.335 -12.811 1.00 0.00 C ATOM 1530 O GLY A 98 7.066 4.615 -11.694 1.00 0.00 O ATOM 0 H GLY A 98 6.239 2.119 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.115 3.897 -14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.849 4.818 -14.095 1.00 0.00 H new ATOM 1534 N GLN A 99 8.817 4.332 -13.088 1.00 0.00 N ATOM 1535 CA GLN A 99 9.889 4.742 -12.166 1.00 0.00 C ATOM 1536 C GLN A 99 11.155 5.183 -12.931 1.00 0.00 C ATOM 1537 O GLN A 99 11.474 4.645 -13.994 1.00 0.00 O ATOM 1538 CB GLN A 99 10.201 3.583 -11.191 1.00 0.00 C ATOM 1539 CG GLN A 99 11.385 3.873 -10.244 1.00 0.00 C ATOM 1540 CD GLN A 99 11.508 2.895 -9.077 1.00 0.00 C ATOM 1541 OE1 GLN A 99 10.544 2.328 -8.588 1.00 0.00 O ATOM 1542 NE2 GLN A 99 12.689 2.696 -8.543 1.00 0.00 N ATOM 0 H GLN A 99 9.175 4.033 -13.995 1.00 0.00 H new ATOM 0 HA GLN A 99 9.547 5.605 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.313 3.372 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.419 2.684 -11.767 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.310 3.852 -10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.280 4.883 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.510 3.159 -8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.787 2.079 -7.737 1.00 0.00 H new ATOM 1551 N ASP A 100 11.908 6.120 -12.347 1.00 0.00 N ATOM 1552 CA ASP A 100 13.300 6.438 -12.696 1.00 0.00 C ATOM 1553 C ASP A 100 14.164 6.505 -11.418 1.00 0.00 C ATOM 1554 O ASP A 100 13.702 6.979 -10.375 1.00 0.00 O ATOM 1555 CB ASP A 100 13.348 7.751 -13.492 1.00 0.00 C ATOM 1556 CG ASP A 100 14.781 8.127 -13.905 1.00 0.00 C ATOM 1557 OD1 ASP A 100 15.460 7.298 -14.556 1.00 0.00 O ATOM 1558 OD2 ASP A 100 15.234 9.250 -13.577 1.00 0.00 O ATOM 0 H ASP A 100 11.553 6.702 -11.588 1.00 0.00 H new ATOM 0 HA ASP A 100 13.711 5.651 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.728 7.657 -14.383 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.922 8.554 -12.891 1.00 0.00 H new ATOM 1563 N GLY A 101 15.408 6.015 -11.482 1.00 0.00 N ATOM 1564 CA GLY A 101 16.277 5.837 -10.311 1.00 0.00 C ATOM 1565 C GLY A 101 15.887 4.633 -9.438 1.00 0.00 C ATOM 1566 O GLY A 101 14.981 3.866 -9.774 1.00 0.00 O ATOM 0 H GLY A 101 15.845 5.728 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 101 17.307 5.714 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 101 16.246 6.742 -9.704 1.00 0.00 H new ATOM 1570 N ILE A 102 16.584 4.456 -8.311 1.00 0.00 N ATOM 1571 CA ILE A 102 16.471 3.279 -7.420 1.00 0.00 C ATOM 1572 C ILE A 102 16.190 3.647 -5.949 1.00 0.00 C ATOM 1573 O ILE A 102 16.428 2.868 -5.025 1.00 0.00 O ATOM 1574 CB ILE A 102 17.684 2.344 -7.668 1.00 0.00 C ATOM 1575 CG1 ILE A 102 17.541 0.897 -7.145 1.00 0.00 C ATOM 1576 CG2 ILE A 102 18.996 2.945 -7.129 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.280 0.172 -7.630 1.00 0.00 C ATOM 0 H ILE A 102 17.262 5.141 -7.978 1.00 0.00 H new ATOM 0 HA ILE A 102 15.577 2.709 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 102 17.713 2.272 -8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 102 18.416 0.324 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 102 17.539 0.916 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 102 19.819 2.257 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 102 19.192 3.895 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 102 18.907 3.109 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.258 -0.836 -7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.396 0.719 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.288 0.118 -8.719 1.00 0.00 H new ATOM 1589 N GLY A 103 15.655 4.849 -5.720 1.00 0.00 N ATOM 1590 CA GLY A 103 15.274 5.324 -4.391 1.00 0.00 C ATOM 1591 C GLY A 103 16.475 5.615 -3.487 1.00 0.00 C ATOM 1592 O GLY A 103 17.409 6.315 -3.886 1.00 0.00 O ATOM 0 H GLY A 103 15.473 5.526 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.677 6.230 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.640 4.577 -3.913 1.00 0.00 H new ATOM 1596 N SER A 104 16.441 5.077 -2.267 1.00 0.00 N ATOM 1597 CA SER A 104 17.435 5.297 -1.201 1.00 0.00 C ATOM 1598 C SER A 104 18.062 3.971 -0.739 1.00 0.00 C ATOM 1599 O SER A 104 18.321 3.776 0.452 1.00 0.00 O ATOM 1600 CB SER A 104 16.825 6.090 -0.028 1.00 0.00 C ATOM 1601 OG SER A 104 16.039 7.189 -0.471 1.00 0.00 O ATOM 0 H SER A 104 15.691 4.449 -1.977 1.00 0.00 H new ATOM 0 HA SER A 104 18.242 5.903 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.208 5.425 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.625 6.455 0.616 1.00 0.00 H new ATOM 0 HG SER A 104 15.938 7.834 0.260 1.00 0.00 H new ATOM 1607 N LYS A 105 18.263 3.031 -1.676 1.00 0.00 N ATOM 1608 CA LYS A 105 18.740 1.657 -1.430 1.00 0.00 C ATOM 1609 C LYS A 105 20.012 1.625 -0.563 1.00 0.00 C ATOM 1610 O LYS A 105 20.938 2.412 -0.773 1.00 0.00 O ATOM 1611 CB LYS A 105 18.922 0.958 -2.792 1.00 0.00 C ATOM 1612 CG LYS A 105 19.117 -0.563 -2.669 1.00 0.00 C ATOM 1613 CD LYS A 105 18.990 -1.285 -4.025 1.00 0.00 C ATOM 1614 CE LYS A 105 20.046 -0.906 -5.077 1.00 0.00 C ATOM 1615 NZ LYS A 105 21.378 -1.473 -4.756 1.00 0.00 N ATOM 0 H LYS A 105 18.092 3.212 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 105 17.998 1.110 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 105 18.050 1.157 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.784 1.389 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.099 -0.767 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.379 -0.966 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.044 -2.360 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 105 18.002 -1.078 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.727 -1.263 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 105 20.120 0.180 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 22.075 -1.138 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.665 -1.167 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.330 -2.511 -4.786 1.00 0.00 H new ATOM 1629 N ALA A 106 20.035 0.733 0.432 1.00 0.00 N ATOM 1630 CA ALA A 106 20.992 0.773 1.546 1.00 0.00 C ATOM 1631 C ALA A 106 22.454 0.464 1.153 1.00 0.00 C ATOM 1632 O ALA A 106 23.388 0.917 1.818 1.00 0.00 O ATOM 1633 CB ALA A 106 20.490 -0.185 2.634 1.00 0.00 C ATOM 0 H ALA A 106 19.382 -0.048 0.489 1.00 0.00 H new ATOM 0 HA ALA A 106 21.031 1.799 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 106 21.183 -0.175 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 106 19.504 0.133 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 106 20.426 -1.195 2.228 1.00 0.00 H new ATOM 1639 N GLU A 107 22.655 -0.266 0.055 1.00 0.00 N ATOM 1640 CA GLU A 107 23.940 -0.460 -0.632 1.00 0.00 C ATOM 1641 C GLU A 107 23.772 -0.141 -2.128 1.00 0.00 C ATOM 1642 O GLU A 107 22.656 -0.219 -2.651 1.00 0.00 O ATOM 1643 CB GLU A 107 24.452 -1.898 -0.432 1.00 0.00 C ATOM 1644 CG GLU A 107 24.789 -2.217 1.031 1.00 0.00 C ATOM 1645 CD GLU A 107 25.389 -3.629 1.164 1.00 0.00 C ATOM 1646 OE1 GLU A 107 24.623 -4.609 1.337 1.00 0.00 O ATOM 1647 OE2 GLU A 107 26.636 -3.774 1.105 1.00 0.00 O ATOM 0 H GLU A 107 21.892 -0.763 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 107 24.680 0.217 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 107 23.696 -2.599 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 107 25.340 -2.050 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 107 25.495 -1.480 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 107 23.888 -2.142 1.640 1.00 0.00 H new ATOM 1654 N LYS A 108 24.856 0.220 -2.826 1.00 0.00 N ATOM 1655 CA LYS A 108 24.830 0.617 -4.248 1.00 0.00 C ATOM 1656 C LYS A 108 24.850 -0.593 -5.193 1.00 0.00 C ATOM 1657 O LYS A 108 25.862 -1.330 -5.222 1.00 0.00 O ATOM 1658 CB LYS A 108 25.960 1.622 -4.548 1.00 0.00 C ATOM 1659 CG LYS A 108 25.921 2.915 -3.709 1.00 0.00 C ATOM 1660 CD LYS A 108 24.616 3.714 -3.878 1.00 0.00 C ATOM 1661 CE LYS A 108 24.669 5.079 -3.176 1.00 0.00 C ATOM 1662 NZ LYS A 108 24.678 4.960 -1.693 1.00 0.00 N ATOM 1663 OXT LYS A 108 23.827 -0.808 -5.883 1.00 0.00 O ATOM 0 H LYS A 108 25.790 0.246 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 108 23.882 1.120 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 108 26.918 1.129 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 108 25.917 1.890 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.049 2.661 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.764 3.547 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 108 24.419 3.862 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 108 23.784 3.135 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 108 25.561 5.615 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 108 23.810 5.675 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 24.714 5.909 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.815 4.473 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 25.512 4.415 -1.394 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.913 -2.663 -7.919 1.00 0.00 ZN