USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 69:sc= -2.88! USER MOD Set 1.2: A 77 LYS NZ :NH3+ -101:sc= 0.283! (180deg=-0.178) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -6.87! USER MOD Single : A 5 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 14 SER OG : rot 180:sc= -0.691 USER MOD Single : A 16 LYS NZ :NH3+ -101:sc= -0.236 (180deg=-1.56!) USER MOD Single : A 18 TYR OH : rot -148:sc= -2.48! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 113:sc= -2.77! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 31 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.386) USER MOD Single : A 35 THR OG1 : rot -169:sc= -3.76! USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= -1.5! (180deg=-3.34!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.9!) USER MOD Single : A 58 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.437 (180deg=-1.51!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -2.43! C(o=-2.4!,f=-8.2!) USER MOD Single : A 87 GLN : amide:sc= -7.44! C(o=-7.4!,f=-17!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.395 -17.815 7.039 1.00 0.00 N ATOM 2 CA MET A 1 -7.592 -17.316 6.303 1.00 0.00 C ATOM 3 C MET A 1 -7.219 -16.128 5.421 1.00 0.00 C ATOM 4 O MET A 1 -7.589 -15.008 5.708 1.00 0.00 O ATOM 5 CB MET A 1 -8.570 -16.855 7.386 1.00 0.00 C ATOM 6 CG MET A 1 -10.003 -16.971 6.865 1.00 0.00 C ATOM 7 SD MET A 1 -10.961 -18.045 7.963 1.00 0.00 S ATOM 8 CE MET A 1 -12.577 -17.772 7.195 1.00 0.00 C ATOM 0 H1 MET A 1 -6.666 -18.623 7.635 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.669 -18.115 6.358 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.015 -17.055 7.639 1.00 0.00 H new ATOM 0 HA MET A 1 -8.014 -18.087 5.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.448 -17.462 8.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.357 -15.824 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.463 -15.984 6.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.001 -17.376 5.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.334 -18.351 7.724 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.830 -16.713 7.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.542 -18.087 6.152 1.00 0.00 H new ATOM 20 N LYS A 2 -6.500 -16.338 4.353 1.00 0.00 N ATOM 21 CA LYS A 2 -6.150 -15.171 3.504 1.00 0.00 C ATOM 22 C LYS A 2 -7.430 -14.496 3.044 1.00 0.00 C ATOM 23 O LYS A 2 -8.038 -14.861 2.059 1.00 0.00 O ATOM 24 CB LYS A 2 -5.329 -15.700 2.337 1.00 0.00 C ATOM 25 CG LYS A 2 -6.199 -16.586 1.444 1.00 0.00 C ATOM 26 CD LYS A 2 -5.389 -17.801 0.987 1.00 0.00 C ATOM 27 CE LYS A 2 -5.736 -18.126 -0.467 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.227 -19.510 -0.684 1.00 0.00 N ATOM 0 H LYS A 2 -6.149 -17.243 4.039 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.566 -14.425 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.928 -14.869 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.478 -16.270 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.086 -16.911 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.546 -16.020 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.322 -17.597 1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.607 -18.658 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.811 -18.069 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.266 -17.421 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.428 -19.805 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.200 -19.532 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.697 -20.160 -0.023 1.00 0.00 H new ATOM 42 N THR A 3 -7.844 -13.528 3.800 1.00 0.00 N ATOM 43 CA THR A 3 -9.103 -12.796 3.499 1.00 0.00 C ATOM 44 C THR A 3 -8.888 -11.298 3.696 1.00 0.00 C ATOM 45 O THR A 3 -9.450 -10.468 3.010 1.00 0.00 O ATOM 46 CB THR A 3 -10.071 -13.325 4.553 1.00 0.00 C ATOM 47 OG1 THR A 3 -11.365 -12.782 4.338 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.566 -12.930 5.939 1.00 0.00 C ATOM 0 H THR A 3 -7.354 -13.204 4.634 1.00 0.00 H new ATOM 0 HA THR A 3 -9.456 -12.939 2.478 1.00 0.00 H new ATOM 0 HB THR A 3 -10.130 -14.411 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.982 -13.127 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.253 -13.305 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.577 -13.359 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.506 -11.844 6.009 1.00 0.00 H new ATOM 56 N ALA A 4 -8.087 -10.961 4.655 1.00 0.00 N ATOM 57 CA ALA A 4 -7.822 -9.525 4.949 1.00 0.00 C ATOM 58 C ALA A 4 -6.673 -9.387 5.956 1.00 0.00 C ATOM 59 O ALA A 4 -5.971 -8.402 5.970 1.00 0.00 O ATOM 60 CB ALA A 4 -9.136 -9.030 5.532 1.00 0.00 C ATOM 0 H ALA A 4 -7.596 -11.621 5.258 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.517 -8.954 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.047 -7.973 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.932 -9.162 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.373 -9.599 6.431 1.00 0.00 H new ATOM 66 N TYR A 5 -6.480 -10.386 6.778 1.00 0.00 N ATOM 67 CA TYR A 5 -5.373 -10.394 7.784 1.00 0.00 C ATOM 68 C TYR A 5 -4.018 -9.979 7.160 1.00 0.00 C ATOM 69 O TYR A 5 -3.921 -9.036 6.407 1.00 0.00 O ATOM 70 CB TYR A 5 -5.322 -11.875 8.181 1.00 0.00 C ATOM 71 CG TYR A 5 -4.698 -12.685 7.045 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.710 -12.193 5.725 1.00 0.00 C ATOM 73 CD2 TYR A 5 -4.082 -13.912 7.318 1.00 0.00 C ATOM 74 CE1 TYR A 5 -4.120 -12.920 4.695 1.00 0.00 C ATOM 75 CE2 TYR A 5 -3.484 -14.642 6.280 1.00 0.00 C ATOM 76 CZ TYR A 5 -3.503 -14.148 4.969 1.00 0.00 C ATOM 77 OH TYR A 5 -2.914 -14.868 3.950 1.00 0.00 O ATOM 0 H TYR A 5 -7.062 -11.223 6.794 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.542 -9.698 8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.738 -11.998 9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.327 -12.241 8.394 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.180 -11.245 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.067 -14.296 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.138 -12.538 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.007 -15.588 6.492 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.532 -15.695 4.312 1.00 0.00 H new ATOM 87 N ASP A 6 -2.978 -10.720 7.475 1.00 0.00 N ATOM 88 CA ASP A 6 -1.617 -10.458 6.920 1.00 0.00 C ATOM 89 C ASP A 6 -1.670 -9.701 5.590 1.00 0.00 C ATOM 90 O ASP A 6 -1.204 -8.586 5.475 1.00 0.00 O ATOM 91 CB ASP A 6 -1.062 -11.861 6.672 1.00 0.00 C ATOM 92 CG ASP A 6 -0.623 -12.480 8.000 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.181 -11.864 8.681 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.096 -13.560 8.314 1.00 0.00 O ATOM 0 H ASP A 6 -3.023 -11.516 8.111 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.020 -9.845 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.821 -12.486 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.217 -11.813 5.985 1.00 0.00 H new ATOM 99 N VAL A 7 -2.214 -10.320 4.582 1.00 0.00 N ATOM 100 CA VAL A 7 -2.281 -9.667 3.247 1.00 0.00 C ATOM 101 C VAL A 7 -2.948 -8.287 3.343 1.00 0.00 C ATOM 102 O VAL A 7 -2.384 -7.354 3.878 1.00 0.00 O ATOM 103 CB VAL A 7 -3.103 -10.621 2.371 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.220 -10.053 0.958 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.418 -11.986 2.290 1.00 0.00 C ATOM 0 H VAL A 7 -2.618 -11.256 4.626 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.289 -9.493 2.830 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.092 -10.731 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.805 -10.734 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.714 -9.082 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.225 -9.937 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.011 -12.654 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.425 -11.870 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.329 -12.408 3.291 1.00 0.00 H new ATOM 115 N ILE A 8 -4.132 -8.142 2.815 1.00 0.00 N ATOM 116 CA ILE A 8 -4.809 -6.820 2.852 1.00 0.00 C ATOM 117 C ILE A 8 -5.407 -6.552 4.237 1.00 0.00 C ATOM 118 O ILE A 8 -6.581 -6.757 4.469 1.00 0.00 O ATOM 119 CB ILE A 8 -5.902 -6.936 1.795 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.310 -7.440 0.480 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.514 -5.562 1.549 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.429 -8.033 -0.376 1.00 0.00 C ATOM 0 H ILE A 8 -4.660 -8.886 2.359 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.127 -5.992 2.657 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.660 -7.634 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.823 -6.622 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.546 -8.193 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.296 -5.642 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.943 -5.183 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.741 -4.877 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.014 -8.395 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.895 -8.861 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.176 -7.266 -0.580 1.00 0.00 H new ATOM 134 N LEU A 9 -4.600 -6.090 5.156 1.00 0.00 N ATOM 135 CA LEU A 9 -5.105 -5.803 6.531 1.00 0.00 C ATOM 136 C LEU A 9 -6.343 -4.898 6.486 1.00 0.00 C ATOM 137 O LEU A 9 -7.456 -5.365 6.347 1.00 0.00 O ATOM 138 CB LEU A 9 -3.945 -5.095 7.234 1.00 0.00 C ATOM 139 CG LEU A 9 -2.965 -6.134 7.778 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.622 -5.993 7.061 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.767 -5.909 9.279 1.00 0.00 C ATOM 0 H LEU A 9 -3.609 -5.898 5.012 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.411 -6.712 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.436 -4.430 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.323 -4.476 8.047 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.364 -7.134 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.923 -6.734 7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.762 -6.151 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.222 -4.993 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.068 -6.649 9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.368 -4.909 9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.724 -6.008 9.791 1.00 0.00 H new ATOM 153 N ALA A 10 -6.162 -3.609 6.617 1.00 0.00 N ATOM 154 CA ALA A 10 -7.335 -2.687 6.598 1.00 0.00 C ATOM 155 C ALA A 10 -7.376 -1.879 5.299 1.00 0.00 C ATOM 156 O ALA A 10 -6.364 -1.677 4.657 1.00 0.00 O ATOM 157 CB ALA A 10 -7.122 -1.755 7.792 1.00 0.00 C ATOM 0 H ALA A 10 -5.255 -3.157 6.736 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.277 -3.232 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.945 -1.043 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.086 -2.342 8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.183 -1.215 7.669 1.00 0.00 H new ATOM 163 N PRO A 11 -8.559 -1.437 4.965 1.00 0.00 N ATOM 164 CA PRO A 11 -8.757 -0.631 3.737 1.00 0.00 C ATOM 165 C PRO A 11 -8.279 0.807 3.958 1.00 0.00 C ATOM 166 O PRO A 11 -8.188 1.276 5.075 1.00 0.00 O ATOM 167 CB PRO A 11 -10.267 -0.669 3.526 1.00 0.00 C ATOM 168 CG PRO A 11 -10.848 -0.916 4.884 1.00 0.00 C ATOM 169 CD PRO A 11 -9.812 -1.651 5.695 1.00 0.00 C ATOM 0 HA PRO A 11 -8.199 -1.011 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.630 0.270 3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.547 -1.458 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.113 0.026 5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.763 -1.504 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.752 -1.260 6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.049 -2.712 5.775 1.00 0.00 H new ATOM 177 N VAL A 12 -7.980 1.510 2.901 1.00 0.00 N ATOM 178 CA VAL A 12 -7.515 2.919 3.048 1.00 0.00 C ATOM 179 C VAL A 12 -8.531 3.875 2.420 1.00 0.00 C ATOM 180 O VAL A 12 -8.679 3.930 1.216 1.00 0.00 O ATOM 181 CB VAL A 12 -6.183 2.983 2.300 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.306 2.244 0.968 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.811 4.445 2.039 1.00 0.00 C ATOM 0 H VAL A 12 -8.037 1.170 1.941 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.405 3.210 4.093 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.408 2.513 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.355 2.291 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.567 1.202 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.083 2.711 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.861 4.489 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.588 4.916 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.719 4.972 2.989 1.00 0.00 H new ATOM 193 N LEU A 13 -9.234 4.624 3.223 1.00 0.00 N ATOM 194 CA LEU A 13 -10.240 5.570 2.664 1.00 0.00 C ATOM 195 C LEU A 13 -9.690 6.999 2.667 1.00 0.00 C ATOM 196 O LEU A 13 -9.577 7.630 3.699 1.00 0.00 O ATOM 197 CB LEU A 13 -11.452 5.457 3.590 1.00 0.00 C ATOM 198 CG LEU A 13 -12.061 4.056 3.482 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.127 3.628 2.013 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.191 3.065 4.261 1.00 0.00 C ATOM 0 H LEU A 13 -9.156 4.622 4.240 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.494 5.334 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.154 5.655 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.196 6.208 3.323 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.069 4.069 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.561 2.631 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.745 4.332 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.122 3.616 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.621 2.066 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.184 3.058 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.147 3.364 5.308 1.00 0.00 H new ATOM 212 N SER A 14 -9.353 7.512 1.517 1.00 0.00 N ATOM 213 CA SER A 14 -8.815 8.900 1.445 1.00 0.00 C ATOM 214 C SER A 14 -9.092 9.494 0.062 1.00 0.00 C ATOM 215 O SER A 14 -9.347 8.780 -0.888 1.00 0.00 O ATOM 216 CB SER A 14 -7.312 8.757 1.678 1.00 0.00 C ATOM 217 OG SER A 14 -7.070 7.622 2.500 1.00 0.00 O ATOM 0 H SER A 14 -9.427 7.029 0.622 1.00 0.00 H new ATOM 0 HA SER A 14 -9.275 9.563 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.793 8.648 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.919 9.655 2.154 1.00 0.00 H new ATOM 0 HG SER A 14 -6.106 7.526 2.650 1.00 0.00 H new ATOM 223 N GLU A 15 -9.047 10.793 -0.056 1.00 0.00 N ATOM 224 CA GLU A 15 -9.309 11.435 -1.379 1.00 0.00 C ATOM 225 C GLU A 15 -8.647 10.629 -2.501 1.00 0.00 C ATOM 226 O GLU A 15 -9.182 10.499 -3.583 1.00 0.00 O ATOM 227 CB GLU A 15 -8.683 12.826 -1.274 1.00 0.00 C ATOM 228 CG GLU A 15 -7.251 12.707 -0.745 1.00 0.00 C ATOM 229 CD GLU A 15 -6.689 14.103 -0.472 1.00 0.00 C ATOM 230 OE1 GLU A 15 -6.460 14.826 -1.427 1.00 0.00 O ATOM 231 OE2 GLU A 15 -6.497 14.425 0.690 1.00 0.00 O ATOM 0 H GLU A 15 -8.840 11.439 0.706 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.373 11.483 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.681 13.310 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.276 13.453 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.238 12.113 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.626 12.188 -1.471 1.00 0.00 H new ATOM 238 N LYS A 16 -7.487 10.087 -2.248 1.00 0.00 N ATOM 239 CA LYS A 16 -6.792 9.292 -3.295 1.00 0.00 C ATOM 240 C LYS A 16 -7.392 7.885 -3.383 1.00 0.00 C ATOM 241 O LYS A 16 -7.366 7.253 -4.420 1.00 0.00 O ATOM 242 CB LYS A 16 -5.334 9.226 -2.841 1.00 0.00 C ATOM 243 CG LYS A 16 -4.431 9.781 -3.944 1.00 0.00 C ATOM 244 CD LYS A 16 -3.838 11.117 -3.495 1.00 0.00 C ATOM 245 CE LYS A 16 -3.714 12.052 -4.700 1.00 0.00 C ATOM 246 NZ LYS A 16 -5.116 12.322 -5.124 1.00 0.00 N ATOM 0 H LYS A 16 -6.991 10.162 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.891 9.739 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.201 9.800 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.059 8.196 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.632 9.073 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.002 9.915 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.472 11.571 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.859 10.959 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.198 12.974 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.141 11.588 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.349 11.733 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.764 12.096 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.215 13.326 -5.377 1.00 0.00 H new ATOM 260 N ALA A 17 -7.932 7.392 -2.303 1.00 0.00 N ATOM 261 CA ALA A 17 -8.531 6.026 -2.325 1.00 0.00 C ATOM 262 C ALA A 17 -10.042 6.115 -2.538 1.00 0.00 C ATOM 263 O ALA A 17 -10.757 5.144 -2.394 1.00 0.00 O ATOM 264 CB ALA A 17 -8.225 5.433 -0.952 1.00 0.00 C ATOM 0 H ALA A 17 -7.985 7.875 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.128 5.415 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.636 4.425 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.146 5.395 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.675 6.055 -0.178 1.00 0.00 H new ATOM 270 N TYR A 18 -10.535 7.272 -2.881 1.00 0.00 N ATOM 271 CA TYR A 18 -12.000 7.413 -3.104 1.00 0.00 C ATOM 272 C TYR A 18 -12.266 7.890 -4.531 1.00 0.00 C ATOM 273 O TYR A 18 -13.246 7.521 -5.147 1.00 0.00 O ATOM 274 CB TYR A 18 -12.463 8.455 -2.085 1.00 0.00 C ATOM 275 CG TYR A 18 -12.909 7.752 -0.826 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.696 6.599 -0.916 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.530 8.246 0.426 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.108 5.937 0.248 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.942 7.587 1.591 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.730 6.432 1.502 1.00 0.00 C ATOM 281 OH TYR A 18 -14.137 5.782 2.650 1.00 0.00 O ATOM 0 H TYR A 18 -9.989 8.123 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.532 6.470 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.652 9.148 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.282 9.045 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.986 6.219 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.920 9.135 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.716 5.047 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.652 7.969 2.559 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.262 6.436 3.369 1.00 0.00 H new ATOM 291 N ALA A 19 -11.394 8.697 -5.065 1.00 0.00 N ATOM 292 CA ALA A 19 -11.592 9.184 -6.457 1.00 0.00 C ATOM 293 C ALA A 19 -10.914 8.220 -7.438 1.00 0.00 C ATOM 294 O ALA A 19 -11.080 8.317 -8.638 1.00 0.00 O ATOM 295 CB ALA A 19 -10.930 10.561 -6.499 1.00 0.00 C ATOM 0 H ALA A 19 -10.554 9.040 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.644 9.241 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.035 10.985 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.410 11.218 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.872 10.464 -6.256 1.00 0.00 H new ATOM 301 N GLY A 20 -10.162 7.283 -6.927 1.00 0.00 N ATOM 302 CA GLY A 20 -9.477 6.292 -7.804 1.00 0.00 C ATOM 303 C GLY A 20 -10.131 4.937 -7.584 1.00 0.00 C ATOM 304 O GLY A 20 -10.249 4.131 -8.485 1.00 0.00 O ATOM 0 H GLY A 20 -9.992 7.161 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.558 6.589 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.414 6.245 -7.568 1.00 0.00 H new ATOM 308 N PHE A 21 -10.575 4.691 -6.385 1.00 0.00 N ATOM 309 CA PHE A 21 -11.245 3.402 -6.089 1.00 0.00 C ATOM 310 C PHE A 21 -12.669 3.439 -6.658 1.00 0.00 C ATOM 311 O PHE A 21 -13.316 2.424 -6.829 1.00 0.00 O ATOM 312 CB PHE A 21 -11.228 3.308 -4.550 1.00 0.00 C ATOM 313 CG PHE A 21 -12.603 3.555 -3.965 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.297 4.732 -4.272 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.182 2.602 -3.118 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.570 4.955 -3.734 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.454 2.827 -2.579 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.148 4.003 -2.886 1.00 0.00 C ATOM 0 H PHE A 21 -10.501 5.332 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.760 2.534 -6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.875 2.322 -4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.524 4.036 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.850 5.468 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.647 1.694 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.106 5.862 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.900 2.092 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.129 4.176 -2.469 1.00 0.00 H new ATOM 328 N ALA A 22 -13.154 4.617 -6.939 1.00 0.00 N ATOM 329 CA ALA A 22 -14.527 4.762 -7.482 1.00 0.00 C ATOM 330 C ALA A 22 -14.663 4.004 -8.806 1.00 0.00 C ATOM 331 O ALA A 22 -15.752 3.703 -9.253 1.00 0.00 O ATOM 332 CB ALA A 22 -14.698 6.263 -7.702 1.00 0.00 C ATOM 0 H ALA A 22 -12.648 5.494 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.283 4.354 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.691 6.461 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.580 6.786 -6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.944 6.616 -8.406 1.00 0.00 H new ATOM 338 N GLU A 23 -13.563 3.696 -9.431 1.00 0.00 N ATOM 339 CA GLU A 23 -13.610 2.958 -10.725 1.00 0.00 C ATOM 340 C GLU A 23 -13.615 1.453 -10.464 1.00 0.00 C ATOM 341 O GLU A 23 -13.311 0.659 -11.331 1.00 0.00 O ATOM 342 CB GLU A 23 -12.327 3.365 -11.452 1.00 0.00 C ATOM 343 CG GLU A 23 -12.646 3.686 -12.914 1.00 0.00 C ATOM 344 CD GLU A 23 -13.259 2.455 -13.584 1.00 0.00 C ATOM 345 OE1 GLU A 23 -14.415 2.174 -13.320 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.559 1.814 -14.352 1.00 0.00 O ATOM 0 H GLU A 23 -12.626 3.925 -9.100 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.503 3.189 -11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.882 4.234 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.595 2.560 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.338 4.526 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.738 3.985 -13.438 1.00 0.00 H new ATOM 353 N GLY A 24 -13.932 1.058 -9.263 1.00 0.00 N ATOM 354 CA GLY A 24 -13.930 -0.382 -8.930 1.00 0.00 C ATOM 355 C GLY A 24 -12.559 -0.745 -8.356 1.00 0.00 C ATOM 356 O GLY A 24 -12.300 -1.875 -7.996 1.00 0.00 O ATOM 0 H GLY A 24 -14.193 1.679 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.715 -0.605 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.138 -0.977 -9.819 1.00 0.00 H new ATOM 360 N LYS A 25 -11.681 0.221 -8.266 1.00 0.00 N ATOM 361 CA LYS A 25 -10.323 -0.036 -7.715 1.00 0.00 C ATOM 362 C LYS A 25 -10.375 0.005 -6.186 1.00 0.00 C ATOM 363 O LYS A 25 -11.104 0.782 -5.609 1.00 0.00 O ATOM 364 CB LYS A 25 -9.477 1.119 -8.263 1.00 0.00 C ATOM 365 CG LYS A 25 -9.160 0.867 -9.738 1.00 0.00 C ATOM 366 CD LYS A 25 -8.671 2.162 -10.387 1.00 0.00 C ATOM 367 CE LYS A 25 -8.567 1.965 -11.902 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.152 2.284 -12.236 1.00 0.00 N ATOM 0 H LYS A 25 -11.852 1.184 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.920 -1.010 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.014 2.061 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.553 1.209 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.398 0.093 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.048 0.503 -10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.359 2.977 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.700 2.442 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.819 0.943 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.256 2.622 -12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.003 2.171 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.943 3.265 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.520 1.639 -11.721 1.00 0.00 H new ATOM 382 N TYR A 26 -9.627 -0.829 -5.518 1.00 0.00 N ATOM 383 CA TYR A 26 -9.671 -0.809 -4.026 1.00 0.00 C ATOM 384 C TYR A 26 -8.269 -0.701 -3.429 1.00 0.00 C ATOM 385 O TYR A 26 -7.545 -1.670 -3.330 1.00 0.00 O ATOM 386 CB TYR A 26 -10.333 -2.122 -3.625 1.00 0.00 C ATOM 387 CG TYR A 26 -11.813 -2.040 -3.908 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.654 -1.336 -3.038 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.346 -2.663 -5.044 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.026 -1.254 -3.302 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.718 -2.581 -5.309 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.558 -1.877 -4.437 1.00 0.00 C ATOM 393 OH TYR A 26 -15.911 -1.794 -4.698 1.00 0.00 O ATOM 0 H TYR A 26 -8.995 -1.515 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.222 0.055 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.890 -2.950 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.164 -2.320 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.244 -0.856 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.698 -3.207 -5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.674 -0.710 -2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.129 -3.060 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.056 -1.262 -5.508 1.00 0.00 H new ATOM 403 N THR A 27 -7.900 0.474 -3.003 1.00 0.00 N ATOM 404 CA THR A 27 -6.567 0.667 -2.384 1.00 0.00 C ATOM 405 C THR A 27 -6.591 0.080 -0.977 1.00 0.00 C ATOM 406 O THR A 27 -7.511 0.310 -0.218 1.00 0.00 O ATOM 407 CB THR A 27 -6.363 2.180 -2.334 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.806 2.758 -3.555 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.880 2.481 -2.132 1.00 0.00 C ATOM 0 H THR A 27 -8.474 1.316 -3.059 1.00 0.00 H new ATOM 0 HA THR A 27 -5.764 0.179 -2.937 1.00 0.00 H new ATOM 0 HB THR A 27 -6.936 2.601 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.677 3.729 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.729 3.560 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.543 2.036 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.308 2.062 -2.960 1.00 0.00 H new ATOM 417 N PHE A 28 -5.611 -0.696 -0.629 1.00 0.00 N ATOM 418 CA PHE A 28 -5.618 -1.314 0.725 1.00 0.00 C ATOM 419 C PHE A 28 -4.242 -1.254 1.377 1.00 0.00 C ATOM 420 O PHE A 28 -3.239 -1.066 0.724 1.00 0.00 O ATOM 421 CB PHE A 28 -6.017 -2.767 0.484 1.00 0.00 C ATOM 422 CG PHE A 28 -7.481 -2.933 0.782 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.896 -3.229 2.083 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.422 -2.780 -0.239 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.259 -3.375 2.365 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.785 -2.924 0.041 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.204 -3.220 1.342 1.00 0.00 C ATOM 0 H PHE A 28 -4.810 -0.930 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.298 -0.791 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.810 -3.047 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.427 -3.429 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.166 -3.345 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.098 -2.551 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.582 -3.607 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.514 -2.807 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.256 -3.329 1.558 1.00 0.00 H new ATOM 437 N TRP A 29 -4.194 -1.468 2.661 1.00 0.00 N ATOM 438 CA TRP A 29 -2.895 -1.487 3.372 1.00 0.00 C ATOM 439 C TRP A 29 -2.556 -2.950 3.573 1.00 0.00 C ATOM 440 O TRP A 29 -3.346 -3.701 4.110 1.00 0.00 O ATOM 441 CB TRP A 29 -3.144 -0.791 4.712 1.00 0.00 C ATOM 442 CG TRP A 29 -3.124 0.693 4.519 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.203 1.500 4.609 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.991 1.556 4.213 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.807 2.805 4.373 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.452 2.890 4.125 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.622 1.313 4.003 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.586 3.947 3.840 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.253 2.373 3.716 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.228 3.688 3.635 1.00 0.00 C ATOM 0 H TRP A 29 -5.010 -1.632 3.251 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.081 -0.990 2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.105 -1.102 5.121 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.381 -1.084 5.433 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.211 1.179 4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.439 3.606 4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.241 0.304 4.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.963 4.957 3.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.303 2.175 3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.450 4.499 3.415 1.00 0.00 H new ATOM 461 N VAL A 30 -1.442 -3.393 3.099 1.00 0.00 N ATOM 462 CA VAL A 30 -1.156 -4.831 3.225 1.00 0.00 C ATOM 463 C VAL A 30 0.311 -5.092 3.540 1.00 0.00 C ATOM 464 O VAL A 30 1.182 -4.287 3.276 1.00 0.00 O ATOM 465 CB VAL A 30 -1.559 -5.362 1.859 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.903 -4.526 0.760 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.144 -6.803 1.705 1.00 0.00 C ATOM 0 H VAL A 30 -0.726 -2.832 2.636 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.688 -5.313 4.046 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.643 -5.295 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.197 -4.913 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.225 -3.489 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.181 -4.580 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.442 -7.164 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.062 -6.883 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.628 -7.405 2.474 1.00 0.00 H new ATOM 477 N HIS A 31 0.569 -6.221 4.123 1.00 0.00 N ATOM 478 CA HIS A 31 1.966 -6.585 4.499 1.00 0.00 C ATOM 479 C HIS A 31 2.846 -6.727 3.256 1.00 0.00 C ATOM 480 O HIS A 31 2.370 -7.069 2.191 1.00 0.00 O ATOM 481 CB HIS A 31 1.838 -7.929 5.219 1.00 0.00 C ATOM 482 CG HIS A 31 2.775 -7.962 6.395 1.00 0.00 C ATOM 483 ND1 HIS A 31 2.682 -7.054 7.438 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.828 -8.785 6.705 1.00 0.00 C ATOM 485 CE1 HIS A 31 3.655 -7.350 8.320 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.383 -8.397 7.921 1.00 0.00 N ATOM 0 H HIS A 31 -0.134 -6.920 4.361 1.00 0.00 H new ATOM 0 HA HIS A 31 2.433 -5.822 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.812 -8.077 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.070 -8.744 4.533 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.174 -9.609 6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.826 -6.807 9.238 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.175 -8.821 8.404 1.00 0.00 H new ATOM 494 N PRO A 32 4.109 -6.461 3.442 1.00 0.00 N ATOM 495 CA PRO A 32 5.085 -6.562 2.330 1.00 0.00 C ATOM 496 C PRO A 32 5.365 -8.029 2.014 1.00 0.00 C ATOM 497 O PRO A 32 6.420 -8.552 2.313 1.00 0.00 O ATOM 498 CB PRO A 32 6.327 -5.880 2.882 1.00 0.00 C ATOM 499 CG PRO A 32 6.212 -6.000 4.369 1.00 0.00 C ATOM 500 CD PRO A 32 4.743 -6.043 4.698 1.00 0.00 C ATOM 0 HA PRO A 32 4.735 -6.107 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.235 -6.360 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.373 -4.836 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.712 -6.902 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.692 -5.155 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.535 -6.747 5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.378 -5.069 5.024 1.00 0.00 H new ATOM 508 N LYS A 33 4.421 -8.695 1.423 1.00 0.00 N ATOM 509 CA LYS A 33 4.611 -10.133 1.093 1.00 0.00 C ATOM 510 C LYS A 33 3.351 -10.674 0.422 1.00 0.00 C ATOM 511 O LYS A 33 3.410 -11.550 -0.417 1.00 0.00 O ATOM 512 CB LYS A 33 4.842 -10.827 2.438 1.00 0.00 C ATOM 513 CG LYS A 33 3.903 -10.234 3.495 1.00 0.00 C ATOM 514 CD LYS A 33 3.107 -11.353 4.176 1.00 0.00 C ATOM 515 CE LYS A 33 2.382 -12.195 3.122 1.00 0.00 C ATOM 516 NZ LYS A 33 1.404 -13.014 3.892 1.00 0.00 N ATOM 0 H LYS A 33 3.519 -8.305 1.151 1.00 0.00 H new ATOM 0 HA LYS A 33 5.443 -10.298 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.665 -11.898 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.879 -10.703 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.480 -9.683 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.221 -9.523 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.777 -11.984 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.385 -10.926 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.879 -11.564 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.080 -12.826 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.154 -13.862 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.827 -13.299 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.547 -12.453 4.071 1.00 0.00 H new ATOM 530 N ALA A 34 2.211 -10.155 0.789 1.00 0.00 N ATOM 531 CA ALA A 34 0.940 -10.630 0.177 1.00 0.00 C ATOM 532 C ALA A 34 1.092 -10.689 -1.347 1.00 0.00 C ATOM 533 O ALA A 34 0.845 -9.722 -2.039 1.00 0.00 O ATOM 534 CB ALA A 34 -0.096 -9.581 0.561 1.00 0.00 C ATOM 0 H ALA A 34 2.106 -9.420 1.489 1.00 0.00 H new ATOM 0 HA ALA A 34 0.659 -11.627 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.065 -9.858 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.169 -9.522 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.204 -8.611 0.165 1.00 0.00 H new ATOM 540 N THR A 35 1.507 -11.807 -1.874 1.00 0.00 N ATOM 541 CA THR A 35 1.686 -11.916 -3.351 1.00 0.00 C ATOM 542 C THR A 35 0.527 -11.234 -4.082 1.00 0.00 C ATOM 543 O THR A 35 -0.610 -11.303 -3.661 1.00 0.00 O ATOM 544 CB THR A 35 1.695 -13.416 -3.641 1.00 0.00 C ATOM 545 OG1 THR A 35 1.130 -14.115 -2.541 1.00 0.00 O ATOM 546 CG2 THR A 35 3.133 -13.883 -3.859 1.00 0.00 C ATOM 0 H THR A 35 1.730 -12.651 -1.347 1.00 0.00 H new ATOM 0 HA THR A 35 2.601 -11.430 -3.690 1.00 0.00 H new ATOM 0 HB THR A 35 1.108 -13.617 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.292 -15.076 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.141 -14.953 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.566 -13.347 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.720 -13.683 -2.963 1.00 0.00 H new ATOM 554 N LYS A 36 0.806 -10.573 -5.176 1.00 0.00 N ATOM 555 CA LYS A 36 -0.286 -9.891 -5.928 1.00 0.00 C ATOM 556 C LYS A 36 -1.502 -10.814 -6.018 1.00 0.00 C ATOM 557 O LYS A 36 -2.627 -10.396 -5.832 1.00 0.00 O ATOM 558 CB LYS A 36 0.291 -9.620 -7.318 1.00 0.00 C ATOM 559 CG LYS A 36 -0.405 -8.402 -7.930 1.00 0.00 C ATOM 560 CD LYS A 36 0.645 -7.377 -8.365 1.00 0.00 C ATOM 561 CE LYS A 36 0.074 -5.964 -8.223 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.155 -5.501 -9.619 1.00 0.00 N ATOM 0 H LYS A 36 1.738 -10.477 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.614 -8.970 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.364 -9.443 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.152 -10.492 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.007 -8.706 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.085 -7.956 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.543 -7.480 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.939 -7.559 -9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.854 -5.969 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.769 -5.308 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.084 -4.492 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.445 -6.048 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.154 -5.640 -9.871 1.00 0.00 H new ATOM 576 N THR A 37 -1.280 -12.072 -6.289 1.00 0.00 N ATOM 577 CA THR A 37 -2.421 -13.023 -6.375 1.00 0.00 C ATOM 578 C THR A 37 -2.992 -13.272 -4.978 1.00 0.00 C ATOM 579 O THR A 37 -4.153 -13.584 -4.816 1.00 0.00 O ATOM 580 CB THR A 37 -1.833 -14.299 -6.952 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.569 -14.114 -8.336 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.814 -15.458 -6.765 1.00 0.00 C ATOM 0 H THR A 37 -0.360 -12.480 -6.454 1.00 0.00 H new ATOM 0 HA THR A 37 -3.236 -12.643 -6.992 1.00 0.00 H new ATOM 0 HB THR A 37 -0.904 -14.534 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.188 -14.936 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.384 -16.369 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.009 -15.602 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.748 -15.230 -7.278 1.00 0.00 H new ATOM 590 N GLU A 38 -2.183 -13.127 -3.964 1.00 0.00 N ATOM 591 CA GLU A 38 -2.687 -13.344 -2.579 1.00 0.00 C ATOM 592 C GLU A 38 -3.706 -12.258 -2.239 1.00 0.00 C ATOM 593 O GLU A 38 -4.777 -12.533 -1.733 1.00 0.00 O ATOM 594 CB GLU A 38 -1.456 -13.233 -1.679 1.00 0.00 C ATOM 595 CG GLU A 38 -1.192 -14.583 -1.008 1.00 0.00 C ATOM 596 CD GLU A 38 -0.703 -14.354 0.424 1.00 0.00 C ATOM 597 OE1 GLU A 38 0.340 -13.742 0.583 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.382 -14.795 1.337 1.00 0.00 O ATOM 0 H GLU A 38 -1.199 -12.869 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.181 -14.308 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.589 -12.931 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.613 -12.463 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.103 -15.182 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.447 -15.142 -1.573 1.00 0.00 H new ATOM 605 N ILE A 39 -3.389 -11.027 -2.530 1.00 0.00 N ATOM 606 CA ILE A 39 -4.350 -9.927 -2.245 1.00 0.00 C ATOM 607 C ILE A 39 -5.660 -10.219 -2.977 1.00 0.00 C ATOM 608 O ILE A 39 -6.733 -9.859 -2.538 1.00 0.00 O ATOM 609 CB ILE A 39 -3.680 -8.666 -2.797 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.536 -8.254 -1.865 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.700 -7.529 -2.879 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.451 -7.539 -2.673 1.00 0.00 C ATOM 0 H ILE A 39 -2.507 -10.736 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.583 -9.818 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.290 -8.871 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.911 -7.598 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.119 -9.133 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.217 -6.635 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.517 -7.820 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.094 -7.321 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.637 -7.246 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.069 -8.210 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.873 -6.651 -3.143 1.00 0.00 H new ATOM 624 N LYS A 40 -5.570 -10.884 -4.092 1.00 0.00 N ATOM 625 CA LYS A 40 -6.794 -11.227 -4.867 1.00 0.00 C ATOM 626 C LYS A 40 -7.695 -12.146 -4.042 1.00 0.00 C ATOM 627 O LYS A 40 -8.890 -11.951 -3.950 1.00 0.00 O ATOM 628 CB LYS A 40 -6.270 -11.978 -6.090 1.00 0.00 C ATOM 629 CG LYS A 40 -7.417 -12.224 -7.069 1.00 0.00 C ATOM 630 CD LYS A 40 -7.177 -13.539 -7.814 1.00 0.00 C ATOM 631 CE LYS A 40 -7.483 -13.347 -9.301 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.517 -14.233 -10.009 1.00 0.00 N ATOM 0 H LYS A 40 -4.695 -11.208 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.381 -10.348 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.482 -11.401 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.828 -12.927 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.365 -12.265 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.488 -11.399 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.144 -13.860 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.810 -14.324 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.512 -13.621 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.356 -12.306 -9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.664 -14.157 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.546 -13.944 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.666 -15.218 -9.710 1.00 0.00 H new ATOM 646 N ASN A 41 -7.121 -13.159 -3.462 1.00 0.00 N ATOM 647 CA ASN A 41 -7.921 -14.124 -2.656 1.00 0.00 C ATOM 648 C ASN A 41 -8.361 -13.517 -1.318 1.00 0.00 C ATOM 649 O ASN A 41 -9.429 -13.816 -0.826 1.00 0.00 O ATOM 650 CB ASN A 41 -6.983 -15.306 -2.416 1.00 0.00 C ATOM 651 CG ASN A 41 -7.132 -16.318 -3.552 1.00 0.00 C ATOM 652 OD1 ASN A 41 -8.225 -16.559 -4.027 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.073 -16.927 -4.011 1.00 0.00 N ATOM 0 H ASN A 41 -6.123 -13.363 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.837 -14.410 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.951 -14.959 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.214 -15.779 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.162 -17.605 -4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.156 -16.725 -3.613 1.00 0.00 H new ATOM 660 N ALA A 42 -7.555 -12.688 -0.708 1.00 0.00 N ATOM 661 CA ALA A 42 -7.970 -12.118 0.608 1.00 0.00 C ATOM 662 C ALA A 42 -9.297 -11.360 0.467 1.00 0.00 C ATOM 663 O ALA A 42 -10.243 -11.616 1.182 1.00 0.00 O ATOM 664 CB ALA A 42 -6.841 -11.168 1.021 1.00 0.00 C ATOM 0 H ALA A 42 -6.645 -12.385 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.129 -12.895 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.081 -10.713 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.909 -11.726 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.729 -10.388 0.268 1.00 0.00 H new ATOM 670 N VAL A 43 -9.389 -10.442 -0.455 1.00 0.00 N ATOM 671 CA VAL A 43 -10.675 -9.693 -0.620 1.00 0.00 C ATOM 672 C VAL A 43 -11.770 -10.621 -1.154 1.00 0.00 C ATOM 673 O VAL A 43 -12.920 -10.514 -0.777 1.00 0.00 O ATOM 674 CB VAL A 43 -10.396 -8.562 -1.616 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.689 -7.416 -0.894 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.515 -9.066 -2.763 1.00 0.00 C ATOM 0 H VAL A 43 -8.641 -10.177 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.025 -9.298 0.334 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.342 -8.212 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.489 -6.610 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.325 -7.045 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.748 -7.774 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.326 -8.251 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.568 -9.428 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.023 -9.879 -3.282 1.00 0.00 H new ATOM 686 N GLU A 44 -11.430 -11.533 -2.023 1.00 0.00 N ATOM 687 CA GLU A 44 -12.465 -12.460 -2.561 1.00 0.00 C ATOM 688 C GLU A 44 -13.002 -13.346 -1.435 1.00 0.00 C ATOM 689 O GLU A 44 -14.187 -13.592 -1.333 1.00 0.00 O ATOM 690 CB GLU A 44 -11.742 -13.301 -3.615 1.00 0.00 C ATOM 691 CG GLU A 44 -12.422 -13.113 -4.973 1.00 0.00 C ATOM 692 CD GLU A 44 -13.796 -13.785 -4.954 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.488 -13.646 -3.958 1.00 0.00 O ATOM 694 OE2 GLU A 44 -14.133 -14.428 -5.935 1.00 0.00 O ATOM 0 H GLU A 44 -10.486 -11.676 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.317 -11.931 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.695 -13.004 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.759 -14.353 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.528 -12.051 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.806 -13.543 -5.763 1.00 0.00 H new ATOM 701 N THR A 45 -12.135 -13.817 -0.581 1.00 0.00 N ATOM 702 CA THR A 45 -12.585 -14.677 0.549 1.00 0.00 C ATOM 703 C THR A 45 -13.169 -13.804 1.672 1.00 0.00 C ATOM 704 O THR A 45 -13.801 -14.295 2.586 1.00 0.00 O ATOM 705 CB THR A 45 -11.322 -15.435 0.983 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.554 -16.831 0.867 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.959 -15.104 2.426 1.00 0.00 C ATOM 0 H THR A 45 -11.131 -13.642 -0.618 1.00 0.00 H new ATOM 0 HA THR A 45 -13.380 -15.372 0.278 1.00 0.00 H new ATOM 0 HB THR A 45 -10.495 -15.134 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.750 -17.320 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.061 -15.653 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.775 -14.034 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.781 -15.388 3.082 1.00 0.00 H new ATOM 715 N ALA A 46 -12.956 -12.516 1.608 1.00 0.00 N ATOM 716 CA ALA A 46 -13.495 -11.618 2.673 1.00 0.00 C ATOM 717 C ALA A 46 -14.619 -10.739 2.119 1.00 0.00 C ATOM 718 O ALA A 46 -15.737 -10.770 2.596 1.00 0.00 O ATOM 719 CB ALA A 46 -12.310 -10.750 3.098 1.00 0.00 C ATOM 0 H ALA A 46 -12.434 -12.048 0.867 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.914 -12.183 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.626 -10.061 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.510 -11.386 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.948 -10.183 2.240 1.00 0.00 H new ATOM 725 N PHE A 47 -14.330 -9.947 1.124 1.00 0.00 N ATOM 726 CA PHE A 47 -15.380 -9.057 0.550 1.00 0.00 C ATOM 727 C PHE A 47 -16.404 -9.877 -0.240 1.00 0.00 C ATOM 728 O PHE A 47 -17.518 -9.447 -0.465 1.00 0.00 O ATOM 729 CB PHE A 47 -14.624 -8.095 -0.364 1.00 0.00 C ATOM 730 CG PHE A 47 -13.985 -7.019 0.481 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.728 -6.392 1.490 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.652 -6.651 0.263 1.00 0.00 C ATOM 733 CE1 PHE A 47 -14.139 -5.400 2.281 1.00 0.00 C ATOM 734 CE2 PHE A 47 -12.062 -5.658 1.057 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.807 -5.033 2.065 1.00 0.00 C ATOM 0 H PHE A 47 -13.413 -9.877 0.683 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.940 -8.527 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.863 -8.632 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.305 -7.650 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.757 -6.675 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.079 -7.132 -0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.713 -4.918 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.033 -5.375 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.352 -4.267 2.676 1.00 0.00 H new ATOM 745 N LYS A 48 -16.037 -11.056 -0.656 1.00 0.00 N ATOM 746 CA LYS A 48 -16.987 -11.908 -1.425 1.00 0.00 C ATOM 747 C LYS A 48 -17.352 -11.234 -2.744 1.00 0.00 C ATOM 748 O LYS A 48 -18.495 -11.217 -3.157 1.00 0.00 O ATOM 749 CB LYS A 48 -18.219 -12.047 -0.530 1.00 0.00 C ATOM 750 CG LYS A 48 -18.406 -13.514 -0.138 1.00 0.00 C ATOM 751 CD LYS A 48 -19.677 -13.661 0.700 1.00 0.00 C ATOM 752 CE LYS A 48 -20.080 -15.136 0.767 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.241 -15.176 1.699 1.00 0.00 N ATOM 0 H LYS A 48 -15.118 -11.468 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.558 -12.879 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.103 -11.433 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.104 -11.684 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.473 -14.134 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.542 -13.863 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.509 -13.273 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.483 -13.073 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.351 -15.516 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.259 -15.753 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.574 -16.156 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.951 -14.815 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.009 -14.585 1.322 1.00 0.00 H new ATOM 767 N VAL A 49 -16.381 -10.682 -3.405 1.00 0.00 N ATOM 768 CA VAL A 49 -16.645 -10.008 -4.699 1.00 0.00 C ATOM 769 C VAL A 49 -15.872 -10.710 -5.817 1.00 0.00 C ATOM 770 O VAL A 49 -15.427 -11.831 -5.672 1.00 0.00 O ATOM 771 CB VAL A 49 -16.155 -8.565 -4.485 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.760 -8.347 -5.088 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.145 -7.609 -5.133 1.00 0.00 C ATOM 0 H VAL A 49 -15.407 -10.669 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.694 -10.033 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.087 -8.378 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.447 -7.317 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.049 -9.025 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.792 -8.544 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.808 -6.583 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.211 -7.822 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.126 -7.737 -4.676 1.00 0.00 H new ATOM 783 N LYS A 50 -15.693 -10.048 -6.921 1.00 0.00 N ATOM 784 CA LYS A 50 -14.930 -10.665 -8.038 1.00 0.00 C ATOM 785 C LYS A 50 -13.670 -9.848 -8.307 1.00 0.00 C ATOM 786 O LYS A 50 -13.732 -8.743 -8.808 1.00 0.00 O ATOM 787 CB LYS A 50 -15.865 -10.628 -9.248 1.00 0.00 C ATOM 788 CG LYS A 50 -15.517 -11.785 -10.186 1.00 0.00 C ATOM 789 CD LYS A 50 -14.484 -11.318 -11.212 1.00 0.00 C ATOM 790 CE LYS A 50 -14.993 -11.616 -12.624 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.866 -12.317 -13.299 1.00 0.00 N ATOM 0 H LYS A 50 -16.042 -9.106 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.618 -11.685 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.903 -10.706 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.765 -9.677 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.123 -12.625 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.415 -12.138 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.301 -10.250 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.534 -11.824 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.887 -12.239 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.259 -10.699 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.139 -12.555 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.031 -11.697 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.640 -13.190 -12.780 1.00 0.00 H new ATOM 805 N VAL A 51 -12.525 -10.376 -7.978 1.00 0.00 N ATOM 806 CA VAL A 51 -11.272 -9.615 -8.223 1.00 0.00 C ATOM 807 C VAL A 51 -10.917 -9.697 -9.704 1.00 0.00 C ATOM 808 O VAL A 51 -10.783 -10.765 -10.268 1.00 0.00 O ATOM 809 CB VAL A 51 -10.210 -10.296 -7.366 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.886 -9.544 -7.516 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.648 -10.267 -5.900 1.00 0.00 C ATOM 0 H VAL A 51 -12.404 -11.295 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.362 -8.559 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.083 -11.330 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.123 -10.026 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.577 -9.557 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.014 -8.512 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.891 -10.753 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.769 -9.233 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.596 -10.794 -5.793 1.00 0.00 H new ATOM 821 N VAL A 52 -10.801 -8.572 -10.344 1.00 0.00 N ATOM 822 CA VAL A 52 -10.498 -8.565 -11.796 1.00 0.00 C ATOM 823 C VAL A 52 -9.128 -7.940 -12.064 1.00 0.00 C ATOM 824 O VAL A 52 -8.590 -8.037 -13.149 1.00 0.00 O ATOM 825 CB VAL A 52 -11.622 -7.731 -12.373 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.296 -7.295 -13.793 1.00 0.00 C ATOM 827 CG2 VAL A 52 -12.900 -8.562 -12.375 1.00 0.00 C ATOM 0 H VAL A 52 -10.904 -7.650 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.445 -9.561 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.753 -6.838 -11.762 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.117 -6.697 -14.188 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.383 -6.700 -13.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.154 -8.175 -14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.717 -7.971 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.753 -9.454 -12.983 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.145 -8.855 -11.354 1.00 0.00 H new ATOM 837 N LYS A 53 -8.556 -7.310 -11.078 1.00 0.00 N ATOM 838 CA LYS A 53 -7.213 -6.689 -11.265 1.00 0.00 C ATOM 839 C LYS A 53 -6.721 -6.093 -9.946 1.00 0.00 C ATOM 840 O LYS A 53 -7.320 -5.189 -9.400 1.00 0.00 O ATOM 841 CB LYS A 53 -7.418 -5.588 -12.302 1.00 0.00 C ATOM 842 CG LYS A 53 -6.650 -5.941 -13.577 1.00 0.00 C ATOM 843 CD LYS A 53 -5.662 -4.820 -13.905 1.00 0.00 C ATOM 844 CE LYS A 53 -6.232 -3.948 -15.025 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.133 -3.840 -16.025 1.00 0.00 N ATOM 0 H LYS A 53 -8.960 -7.197 -10.148 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.467 -7.416 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.479 -5.475 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.071 -4.633 -11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.117 -6.882 -13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.344 -6.082 -14.405 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.475 -4.215 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.705 -5.242 -14.210 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.122 -4.400 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.524 -2.966 -14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.448 -3.255 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.302 -3.400 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.881 -4.789 -16.368 1.00 0.00 H new ATOM 859 N VAL A 54 -5.631 -6.589 -9.432 1.00 0.00 N ATOM 860 CA VAL A 54 -5.101 -6.045 -8.150 1.00 0.00 C ATOM 861 C VAL A 54 -3.736 -5.393 -8.381 1.00 0.00 C ATOM 862 O VAL A 54 -2.818 -6.010 -8.885 1.00 0.00 O ATOM 863 CB VAL A 54 -4.997 -7.259 -7.205 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.672 -7.243 -6.430 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.147 -7.205 -6.202 1.00 0.00 C ATOM 0 H VAL A 54 -5.085 -7.346 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.743 -5.273 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.043 -8.168 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.625 -8.110 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.839 -7.276 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.609 -6.332 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.083 -8.060 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.083 -6.283 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.097 -7.234 -6.736 1.00 0.00 H new ATOM 875 N ASN A 55 -3.593 -4.159 -7.997 1.00 0.00 N ATOM 876 CA ASN A 55 -2.284 -3.479 -8.174 1.00 0.00 C ATOM 877 C ASN A 55 -1.833 -2.893 -6.841 1.00 0.00 C ATOM 878 O ASN A 55 -2.465 -2.016 -6.290 1.00 0.00 O ATOM 879 CB ASN A 55 -2.536 -2.375 -9.200 1.00 0.00 C ATOM 880 CG ASN A 55 -1.216 -1.986 -9.868 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.176 -2.000 -9.238 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.212 -1.639 -11.125 1.00 0.00 N ATOM 0 H ASN A 55 -4.325 -3.592 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.500 -4.157 -8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.248 -2.718 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.979 -1.506 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.337 -1.379 -11.580 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.084 -1.627 -11.654 1.00 0.00 H new ATOM 889 N THR A 56 -0.746 -3.374 -6.316 1.00 0.00 N ATOM 890 CA THR A 56 -0.261 -2.844 -5.013 1.00 0.00 C ATOM 891 C THR A 56 1.097 -2.166 -5.199 1.00 0.00 C ATOM 892 O THR A 56 1.845 -2.486 -6.100 1.00 0.00 O ATOM 893 CB THR A 56 -0.143 -4.048 -4.050 1.00 0.00 C ATOM 894 OG1 THR A 56 1.148 -4.050 -3.460 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.362 -5.377 -4.784 1.00 0.00 C ATOM 0 H THR A 56 -0.172 -4.109 -6.730 1.00 0.00 H new ATOM 0 HA THR A 56 -0.948 -2.100 -4.610 1.00 0.00 H new ATOM 0 HB THR A 56 -0.913 -3.949 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.228 -3.291 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.272 -6.202 -4.077 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.357 -5.387 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.387 -5.487 -5.568 1.00 0.00 H new ATOM 903 N LEU A 57 1.414 -1.226 -4.354 1.00 0.00 N ATOM 904 CA LEU A 57 2.720 -0.518 -4.481 1.00 0.00 C ATOM 905 C LEU A 57 3.334 -0.294 -3.097 1.00 0.00 C ATOM 906 O LEU A 57 2.694 -0.491 -2.085 1.00 0.00 O ATOM 907 CB LEU A 57 2.384 0.821 -5.145 1.00 0.00 C ATOM 908 CG LEU A 57 1.119 1.407 -4.515 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.283 2.919 -4.351 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.081 1.121 -5.423 1.00 0.00 C ATOM 0 H LEU A 57 0.826 -0.916 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 57 3.445 -1.088 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.216 1.515 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.237 0.680 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 57 0.955 0.951 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.382 3.336 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.138 3.124 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.447 3.375 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.983 1.538 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.084 1.577 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.199 0.044 -5.541 1.00 0.00 H new ATOM 922 N HIS A 58 4.572 0.114 -3.046 1.00 0.00 N ATOM 923 CA HIS A 58 5.222 0.345 -1.725 1.00 0.00 C ATOM 924 C HIS A 58 4.981 1.778 -1.258 1.00 0.00 C ATOM 925 O HIS A 58 5.264 2.732 -1.954 1.00 0.00 O ATOM 926 CB HIS A 58 6.712 0.094 -1.958 1.00 0.00 C ATOM 927 CG HIS A 58 7.217 -0.895 -0.943 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.450 -1.515 -1.066 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.667 -1.381 0.219 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.601 -2.332 -0.008 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.544 -2.289 0.807 1.00 0.00 N ATOM 0 H HIS A 58 5.160 0.297 -3.859 1.00 0.00 H new ATOM 0 HA HIS A 58 4.820 -0.309 -0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.874 -0.288 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.266 1.029 -1.878 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.702 -1.101 0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.472 -2.948 0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.408 -2.809 1.674 1.00 0.00 H new ATOM 939 N VAL A 59 4.455 1.925 -0.078 1.00 0.00 N ATOM 940 CA VAL A 59 4.181 3.283 0.463 1.00 0.00 C ATOM 941 C VAL A 59 4.958 3.496 1.764 1.00 0.00 C ATOM 942 O VAL A 59 4.788 2.771 2.725 1.00 0.00 O ATOM 943 CB VAL A 59 2.676 3.309 0.730 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.926 3.564 -0.578 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.228 1.968 1.319 1.00 0.00 C ATOM 0 H VAL A 59 4.200 1.156 0.541 1.00 0.00 H new ATOM 0 HA VAL A 59 4.486 4.071 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 59 2.455 4.107 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.853 3.582 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.236 4.523 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.153 2.769 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.155 1.994 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.454 1.167 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.756 1.787 2.255 1.00 0.00 H new ATOM 955 N ARG A 60 5.808 4.483 1.803 1.00 0.00 N ATOM 956 CA ARG A 60 6.594 4.739 3.044 1.00 0.00 C ATOM 957 C ARG A 60 6.554 6.229 3.396 1.00 0.00 C ATOM 958 O ARG A 60 7.014 7.066 2.645 1.00 0.00 O ATOM 959 CB ARG A 60 8.020 4.303 2.705 1.00 0.00 C ATOM 960 CG ARG A 60 8.044 2.797 2.435 1.00 0.00 C ATOM 961 CD ARG A 60 7.485 2.520 1.037 1.00 0.00 C ATOM 962 NE ARG A 60 8.559 1.765 0.336 1.00 0.00 N ATOM 963 CZ ARG A 60 9.683 2.357 0.035 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.709 3.274 -0.894 1.00 0.00 N ATOM 965 NH2 ARG A 60 10.780 2.034 0.663 1.00 0.00 N ATOM 0 H ARG A 60 5.993 5.123 1.031 1.00 0.00 H new ATOM 0 HA ARG A 60 6.198 4.200 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.379 4.846 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.691 4.546 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.064 2.419 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.452 2.273 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.564 1.940 1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.249 3.447 0.515 1.00 0.00 H new ATOM 0 HE ARG A 60 8.417 0.785 0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.851 3.528 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.587 3.737 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.760 1.319 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.658 2.497 0.427 1.00 0.00 H new ATOM 979 N GLY A 61 6.005 6.563 4.531 1.00 0.00 N ATOM 980 CA GLY A 61 5.933 7.999 4.929 1.00 0.00 C ATOM 981 C GLY A 61 4.672 8.629 4.335 1.00 0.00 C ATOM 982 O GLY A 61 4.382 8.474 3.166 1.00 0.00 O ATOM 0 H GLY A 61 5.603 5.906 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.919 8.086 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.818 8.530 4.578 1.00 0.00 H new ATOM 986 N LYS A 62 3.918 9.336 5.132 1.00 0.00 N ATOM 987 CA LYS A 62 2.674 9.972 4.610 1.00 0.00 C ATOM 988 C LYS A 62 2.939 11.433 4.234 1.00 0.00 C ATOM 989 O LYS A 62 2.860 11.811 3.083 1.00 0.00 O ATOM 990 CB LYS A 62 1.672 9.886 5.763 1.00 0.00 C ATOM 991 CG LYS A 62 1.210 8.437 5.931 1.00 0.00 C ATOM 992 CD LYS A 62 0.045 8.384 6.920 1.00 0.00 C ATOM 993 CE LYS A 62 0.558 8.687 8.331 1.00 0.00 C ATOM 994 NZ LYS A 62 -0.064 7.648 9.197 1.00 0.00 N ATOM 0 H LYS A 62 4.109 9.501 6.120 1.00 0.00 H new ATOM 0 HA LYS A 62 2.305 9.478 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.131 10.242 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.816 10.531 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.903 8.028 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.034 7.821 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.720 9.107 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.422 7.400 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.646 8.638 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.271 9.689 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.240 7.789 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.100 7.723 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.232 6.705 8.875 1.00 0.00 H new ATOM 1008 N LYS A 63 3.250 12.257 5.198 1.00 0.00 N ATOM 1009 CA LYS A 63 3.517 13.693 4.893 1.00 0.00 C ATOM 1010 C LYS A 63 4.904 13.853 4.263 1.00 0.00 C ATOM 1011 O LYS A 63 5.744 14.573 4.766 1.00 0.00 O ATOM 1012 CB LYS A 63 3.460 14.402 6.247 1.00 0.00 C ATOM 1013 CG LYS A 63 2.014 14.796 6.556 1.00 0.00 C ATOM 1014 CD LYS A 63 1.813 16.282 6.250 1.00 0.00 C ATOM 1015 CE LYS A 63 1.400 17.015 7.529 1.00 0.00 C ATOM 1016 NZ LYS A 63 0.355 17.983 7.096 1.00 0.00 N ATOM 0 H LYS A 63 3.331 11.999 6.182 1.00 0.00 H new ATOM 0 HA LYS A 63 2.798 14.105 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.845 13.747 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.094 15.288 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.327 14.195 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.787 14.596 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.734 16.710 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.048 16.406 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.011 16.321 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.249 17.527 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.021 18.525 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.756 18.635 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.443 17.467 6.674 1.00 0.00 H new ATOM 1030 N LYS A 64 5.149 13.191 3.165 1.00 0.00 N ATOM 1031 CA LYS A 64 6.481 13.307 2.504 1.00 0.00 C ATOM 1032 C LYS A 64 7.595 12.971 3.498 1.00 0.00 C ATOM 1033 O LYS A 64 7.881 13.727 4.406 1.00 0.00 O ATOM 1034 CB LYS A 64 6.579 14.768 2.060 1.00 0.00 C ATOM 1035 CG LYS A 64 7.957 15.023 1.447 1.00 0.00 C ATOM 1036 CD LYS A 64 7.851 15.003 -0.080 1.00 0.00 C ATOM 1037 CE LYS A 64 8.074 16.415 -0.627 1.00 0.00 C ATOM 1038 NZ LYS A 64 7.115 17.274 0.122 1.00 0.00 N ATOM 0 H LYS A 64 4.485 12.575 2.697 1.00 0.00 H new ATOM 0 HA LYS A 64 6.587 12.619 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.799 14.991 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.420 15.430 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.343 15.986 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.662 14.263 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.590 14.319 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.870 14.635 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.102 16.741 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.887 16.457 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.865 18.101 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.256 16.729 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.554 17.592 1.010 1.00 0.00 H new ATOM 1052 N ARG A 65 8.226 11.841 3.336 1.00 0.00 N ATOM 1053 CA ARG A 65 9.320 11.454 4.272 1.00 0.00 C ATOM 1054 C ARG A 65 10.398 12.540 4.310 1.00 0.00 C ATOM 1055 O ARG A 65 10.165 13.675 3.945 1.00 0.00 O ATOM 1056 CB ARG A 65 9.888 10.158 3.699 1.00 0.00 C ATOM 1057 CG ARG A 65 10.581 10.448 2.367 1.00 0.00 C ATOM 1058 CD ARG A 65 10.525 9.203 1.479 1.00 0.00 C ATOM 1059 NE ARG A 65 10.509 9.727 0.085 1.00 0.00 N ATOM 1060 CZ ARG A 65 11.533 10.393 -0.373 1.00 0.00 C ATOM 1061 NH1 ARG A 65 12.716 10.213 0.148 1.00 0.00 N ATOM 1062 NH2 ARG A 65 11.374 11.241 -1.353 1.00 0.00 N ATOM 0 H ARG A 65 8.031 11.168 2.595 1.00 0.00 H new ATOM 0 HA ARG A 65 8.962 11.329 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.596 9.718 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.089 9.431 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.095 11.286 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.617 10.738 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.387 8.558 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.636 8.608 1.688 1.00 0.00 H new ATOM 0 HE ARG A 65 9.698 9.565 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.841 9.551 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.516 10.734 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.450 11.382 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.174 11.762 -1.711 1.00 0.00 H new ATOM 1076 N LEU A 66 11.579 12.199 4.750 1.00 0.00 N ATOM 1077 CA LEU A 66 12.672 13.212 4.811 1.00 0.00 C ATOM 1078 C LEU A 66 12.220 14.427 5.624 1.00 0.00 C ATOM 1079 O LEU A 66 11.419 15.223 5.176 1.00 0.00 O ATOM 1080 CB LEU A 66 12.931 13.604 3.356 1.00 0.00 C ATOM 1081 CG LEU A 66 14.419 13.903 3.166 1.00 0.00 C ATOM 1082 CD1 LEU A 66 15.230 12.627 3.397 1.00 0.00 C ATOM 1083 CD2 LEU A 66 14.658 14.407 1.741 1.00 0.00 C ATOM 0 H LEU A 66 11.834 11.265 5.069 1.00 0.00 H new ATOM 0 HA LEU A 66 13.569 12.824 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.623 12.797 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.337 14.479 3.093 1.00 0.00 H new ATOM 0 HG LEU A 66 14.731 14.665 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.290 12.840 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.059 12.266 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.919 11.864 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.718 14.621 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.346 13.644 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.080 15.316 1.575 1.00 0.00 H new ATOM 1095 N GLY A 67 12.725 14.574 6.818 1.00 0.00 N ATOM 1096 CA GLY A 67 12.329 15.728 7.656 1.00 0.00 C ATOM 1097 C GLY A 67 13.150 15.732 8.947 1.00 0.00 C ATOM 1098 O GLY A 67 14.032 14.917 9.135 1.00 0.00 O ATOM 0 H GLY A 67 13.398 13.938 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.487 16.658 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.266 15.673 7.890 1.00 0.00 H new ATOM 1102 N ARG A 68 12.869 16.643 9.838 1.00 0.00 N ATOM 1103 CA ARG A 68 13.637 16.699 11.115 1.00 0.00 C ATOM 1104 C ARG A 68 13.448 15.401 11.905 1.00 0.00 C ATOM 1105 O ARG A 68 12.808 14.478 11.442 1.00 0.00 O ATOM 1106 CB ARG A 68 13.046 17.884 11.882 1.00 0.00 C ATOM 1107 CG ARG A 68 11.598 17.575 12.264 1.00 0.00 C ATOM 1108 CD ARG A 68 10.650 18.404 11.393 1.00 0.00 C ATOM 1109 NE ARG A 68 10.390 19.641 12.180 1.00 0.00 N ATOM 1110 CZ ARG A 68 11.389 20.360 12.616 1.00 0.00 C ATOM 1111 NH1 ARG A 68 12.056 21.118 11.791 1.00 0.00 N ATOM 1112 NH2 ARG A 68 11.719 20.318 13.878 1.00 0.00 N ATOM 0 H ARG A 68 12.141 17.351 9.737 1.00 0.00 H new ATOM 0 HA ARG A 68 14.708 16.815 10.947 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.635 18.081 12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.087 18.784 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.395 16.512 12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.433 17.802 13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.102 18.637 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.726 17.863 11.190 1.00 0.00 H new ATOM 0 HE ARG A 68 9.431 19.927 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.797 21.149 10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.836 21.680 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.197 19.724 14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.499 20.879 14.220 1.00 0.00 H new ATOM 1126 N TYR A 69 13.992 15.344 13.098 1.00 0.00 N ATOM 1127 CA TYR A 69 13.860 14.131 13.960 1.00 0.00 C ATOM 1128 C TYR A 69 13.687 12.862 13.105 1.00 0.00 C ATOM 1129 O TYR A 69 12.632 12.265 13.058 1.00 0.00 O ATOM 1130 CB TYR A 69 12.629 14.440 14.814 1.00 0.00 C ATOM 1131 CG TYR A 69 11.968 13.167 15.293 1.00 0.00 C ATOM 1132 CD1 TYR A 69 12.570 12.399 16.297 1.00 0.00 C ATOM 1133 CD2 TYR A 69 10.753 12.757 14.731 1.00 0.00 C ATOM 1134 CE1 TYR A 69 11.957 11.220 16.739 1.00 0.00 C ATOM 1135 CE2 TYR A 69 10.140 11.578 15.173 1.00 0.00 C ATOM 1136 CZ TYR A 69 10.742 10.810 16.177 1.00 0.00 C ATOM 1137 OH TYR A 69 10.138 9.649 16.612 1.00 0.00 O ATOM 0 H TYR A 69 14.531 16.102 13.516 1.00 0.00 H new ATOM 0 HA TYR A 69 14.741 13.929 14.570 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.920 15.048 15.671 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.917 15.027 14.234 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.507 12.716 16.731 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.289 13.350 13.957 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.421 10.627 17.513 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.203 11.261 14.739 1.00 0.00 H new ATOM 0 HH TYR A 69 9.302 9.511 16.120 1.00 0.00 H new ATOM 1147 N LEU A 70 14.730 12.458 12.425 1.00 0.00 N ATOM 1148 CA LEU A 70 14.659 11.240 11.568 1.00 0.00 C ATOM 1149 C LEU A 70 13.293 11.125 10.899 1.00 0.00 C ATOM 1150 O LEU A 70 12.350 10.600 11.458 1.00 0.00 O ATOM 1151 CB LEU A 70 14.880 10.079 12.516 1.00 0.00 C ATOM 1152 CG LEU A 70 16.281 9.503 12.307 1.00 0.00 C ATOM 1153 CD1 LEU A 70 17.098 9.663 13.592 1.00 0.00 C ATOM 1154 CD2 LEU A 70 16.175 8.018 11.954 1.00 0.00 C ATOM 0 H LEU A 70 15.636 12.926 12.428 1.00 0.00 H new ATOM 0 HA LEU A 70 15.397 11.266 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.763 10.412 13.547 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.130 9.308 12.343 1.00 0.00 H new ATOM 0 HG LEU A 70 16.774 10.037 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.096 9.252 13.442 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.175 10.720 13.845 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.605 9.130 14.405 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.174 7.607 11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.681 7.485 12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.595 7.902 11.039 1.00 0.00 H new ATOM 1166 N GLY A 71 13.189 11.610 9.705 1.00 0.00 N ATOM 1167 CA GLY A 71 11.891 11.538 8.974 1.00 0.00 C ATOM 1168 C GLY A 71 11.270 10.154 9.170 1.00 0.00 C ATOM 1169 O GLY A 71 11.919 9.230 9.617 1.00 0.00 O ATOM 0 H GLY A 71 13.949 12.058 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.212 12.308 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.048 11.731 7.913 1.00 0.00 H new ATOM 1173 N LYS A 72 10.017 10.003 8.841 1.00 0.00 N ATOM 1174 CA LYS A 72 9.356 8.677 9.012 1.00 0.00 C ATOM 1175 C LYS A 72 9.231 7.965 7.662 1.00 0.00 C ATOM 1176 O LYS A 72 8.828 8.550 6.676 1.00 0.00 O ATOM 1177 CB LYS A 72 7.973 8.995 9.580 1.00 0.00 C ATOM 1178 CG LYS A 72 8.114 9.496 11.018 1.00 0.00 C ATOM 1179 CD LYS A 72 6.805 10.153 11.461 1.00 0.00 C ATOM 1180 CE LYS A 72 6.666 10.045 12.981 1.00 0.00 C ATOM 1181 NZ LYS A 72 5.409 9.276 13.198 1.00 0.00 N ATOM 0 H LYS A 72 9.422 10.739 8.461 1.00 0.00 H new ATOM 0 HA LYS A 72 9.924 8.015 9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.482 9.751 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.344 8.105 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.359 8.666 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.934 10.211 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.791 11.200 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.959 9.668 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.523 9.534 13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.611 11.030 13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.245 9.160 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.610 9.790 12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.493 8.340 12.753 1.00 0.00 H new ATOM 1195 N ARG A 73 9.572 6.706 7.612 1.00 0.00 N ATOM 1196 CA ARG A 73 9.471 5.956 6.326 1.00 0.00 C ATOM 1197 C ARG A 73 9.598 4.452 6.580 1.00 0.00 C ATOM 1198 O ARG A 73 10.648 3.873 6.383 1.00 0.00 O ATOM 1199 CB ARG A 73 10.643 6.454 5.481 1.00 0.00 C ATOM 1200 CG ARG A 73 10.147 6.782 4.073 1.00 0.00 C ATOM 1201 CD ARG A 73 11.181 6.324 3.043 1.00 0.00 C ATOM 1202 NE ARG A 73 12.494 6.765 3.590 1.00 0.00 N ATOM 1203 CZ ARG A 73 13.523 5.964 3.542 1.00 0.00 C ATOM 1204 NH1 ARG A 73 13.412 4.733 3.962 1.00 0.00 N ATOM 1205 NH2 ARG A 73 14.663 6.393 3.073 1.00 0.00 N ATOM 0 H ARG A 73 9.916 6.164 8.405 1.00 0.00 H new ATOM 0 HA ARG A 73 8.514 6.117 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 73 11.086 7.339 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.423 5.694 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.193 6.288 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.975 7.854 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.153 5.243 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.990 6.771 2.067 1.00 0.00 H new ATOM 0 HE ARG A 73 12.589 7.693 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.521 4.397 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.216 4.107 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.750 7.355 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.467 5.767 3.036 1.00 0.00 H new ATOM 1219 N PRO A 74 8.514 3.872 7.013 1.00 0.00 N ATOM 1220 CA PRO A 74 8.490 2.420 7.303 1.00 0.00 C ATOM 1221 C PRO A 74 8.417 1.616 6.003 1.00 0.00 C ATOM 1222 O PRO A 74 8.605 2.141 4.923 1.00 0.00 O ATOM 1223 CB PRO A 74 7.216 2.239 8.117 1.00 0.00 C ATOM 1224 CG PRO A 74 6.330 3.374 7.713 1.00 0.00 C ATOM 1225 CD PRO A 74 7.220 4.509 7.271 1.00 0.00 C ATOM 0 HA PRO A 74 9.381 2.075 7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.747 1.278 7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.425 2.263 9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.664 3.072 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.699 3.684 8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.830 4.996 6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.300 5.276 8.042 1.00 0.00 H new ATOM 1233 N ASP A 75 8.129 0.351 6.104 1.00 0.00 N ATOM 1234 CA ASP A 75 8.022 -0.491 4.887 1.00 0.00 C ATOM 1235 C ASP A 75 6.585 -0.984 4.741 1.00 0.00 C ATOM 1236 O ASP A 75 6.221 -2.033 5.233 1.00 0.00 O ATOM 1237 CB ASP A 75 8.974 -1.662 5.126 1.00 0.00 C ATOM 1238 CG ASP A 75 10.378 -1.285 4.652 1.00 0.00 C ATOM 1239 OD1 ASP A 75 10.588 -0.120 4.354 1.00 0.00 O ATOM 1240 OD2 ASP A 75 11.220 -2.166 4.595 1.00 0.00 O ATOM 0 H ASP A 75 7.962 -0.138 6.984 1.00 0.00 H new ATOM 0 HA ASP A 75 8.277 0.049 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.993 -1.918 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.623 -2.544 4.591 1.00 0.00 H new ATOM 1245 N ARG A 76 5.772 -0.231 4.070 1.00 0.00 N ATOM 1246 CA ARG A 76 4.352 -0.645 3.885 1.00 0.00 C ATOM 1247 C ARG A 76 3.961 -0.561 2.409 1.00 0.00 C ATOM 1248 O ARG A 76 4.442 0.278 1.677 1.00 0.00 O ATOM 1249 CB ARG A 76 3.540 0.350 4.712 1.00 0.00 C ATOM 1250 CG ARG A 76 2.049 0.134 4.450 1.00 0.00 C ATOM 1251 CD ARG A 76 1.693 -1.334 4.698 1.00 0.00 C ATOM 1252 NE ARG A 76 0.610 -1.299 5.720 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.876 -1.578 6.966 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.901 -1.023 7.554 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.118 -2.412 7.624 1.00 0.00 N ATOM 0 H ARG A 76 6.025 0.658 3.638 1.00 0.00 H new ATOM 0 HA ARG A 76 4.179 -1.675 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.756 0.220 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.822 1.370 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.458 0.777 5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.806 0.410 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.356 -1.819 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.556 -1.895 5.056 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.342 -1.056 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.493 -0.372 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.110 -1.241 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.682 -2.846 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.326 -2.630 8.598 1.00 0.00 H new ATOM 1269 N LYS A 77 3.092 -1.429 1.967 1.00 0.00 N ATOM 1270 CA LYS A 77 2.667 -1.402 0.538 1.00 0.00 C ATOM 1271 C LYS A 77 1.142 -1.260 0.437 1.00 0.00 C ATOM 1272 O LYS A 77 0.405 -1.823 1.221 1.00 0.00 O ATOM 1273 CB LYS A 77 3.135 -2.744 -0.044 1.00 0.00 C ATOM 1274 CG LYS A 77 2.125 -3.844 0.295 1.00 0.00 C ATOM 1275 CD LYS A 77 2.569 -5.161 -0.344 1.00 0.00 C ATOM 1276 CE LYS A 77 1.497 -5.640 -1.325 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.245 -6.022 -2.555 1.00 0.00 N ATOM 0 H LYS A 77 2.657 -2.157 2.534 1.00 0.00 H new ATOM 0 HA LYS A 77 3.093 -0.558 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.246 -2.662 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.115 -3.002 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.047 -3.960 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.135 -3.567 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.517 -5.024 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.734 -5.914 0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.942 -6.487 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.772 -4.853 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.165 -5.262 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.247 -6.172 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.846 -6.900 -2.945 1.00 0.00 H new ATOM 1291 N LYS A 78 0.665 -0.516 -0.524 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.810 -0.345 -0.674 1.00 0.00 C ATOM 1293 C LYS A 78 -1.319 -1.266 -1.788 1.00 0.00 C ATOM 1294 O LYS A 78 -0.592 -1.587 -2.703 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.007 1.124 -1.053 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.233 1.951 0.214 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.038 3.435 -0.103 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.393 4.144 -0.086 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.068 5.594 0.006 1.00 0.00 N ATOM 0 H LYS A 78 1.232 -0.019 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.358 -0.599 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.133 1.493 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.860 1.226 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.238 1.779 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.537 1.640 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.369 3.889 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.568 3.550 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.965 3.924 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.997 3.820 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.949 6.147 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.530 5.774 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.498 5.875 -0.817 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.550 -1.711 -1.715 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.066 -2.630 -2.779 1.00 0.00 C ATOM 1315 C ALA A 79 -4.318 -2.087 -3.448 1.00 0.00 C ATOM 1316 O ALA A 79 -5.277 -1.733 -2.798 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.421 -3.922 -2.066 1.00 0.00 C ATOM 0 H ALA A 79 -3.213 -1.482 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.315 -2.756 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.807 -4.642 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.531 -4.330 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.181 -3.724 -1.310 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.328 -2.062 -4.749 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.532 -1.580 -5.471 1.00 0.00 C ATOM 1325 C ILE A 80 -6.211 -2.761 -6.159 1.00 0.00 C ATOM 1326 O ILE A 80 -5.690 -3.332 -7.095 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.019 -0.576 -6.498 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.677 0.737 -5.794 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.106 -0.321 -7.539 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.646 0.484 -4.695 1.00 0.00 C ATOM 0 H ILE A 80 -3.553 -2.355 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.264 -1.121 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.129 -0.973 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.285 1.455 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.578 1.176 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.744 0.396 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.359 -1.257 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.993 0.080 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.407 1.424 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.054 -0.218 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.741 0.066 -5.135 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.368 -3.133 -5.697 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.080 -4.287 -6.321 1.00 0.00 C ATOM 1344 C VAL A 81 -9.174 -3.785 -7.263 1.00 0.00 C ATOM 1345 O VAL A 81 -9.822 -2.791 -7.004 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.691 -5.074 -5.158 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.060 -6.481 -5.629 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.677 -5.172 -4.014 1.00 0.00 C ATOM 0 H VAL A 81 -7.854 -2.692 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.407 -4.907 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.586 -4.560 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.495 -7.040 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.784 -6.415 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.165 -6.993 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.114 -5.732 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.781 -5.683 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.414 -4.170 -3.674 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.386 -4.468 -8.353 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.439 -4.035 -9.308 1.00 0.00 C ATOM 1360 C GLN A 82 -11.433 -5.162 -9.506 1.00 0.00 C ATOM 1361 O GLN A 82 -11.081 -6.323 -9.475 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.707 -3.754 -10.615 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.718 -3.513 -11.739 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.943 -2.010 -11.910 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.178 -1.209 -11.411 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.968 -1.590 -12.601 1.00 0.00 N ATOM 0 H GLN A 82 -8.874 -5.308 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.986 -3.162 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.063 -2.882 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.062 -4.595 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.352 -3.945 -12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.661 -4.008 -11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.610 -2.262 -13.020 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.126 -0.590 -12.722 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.668 -4.841 -9.722 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.653 -5.919 -9.936 1.00 0.00 C ATOM 1377 C VAL A 83 -14.386 -5.707 -11.255 1.00 0.00 C ATOM 1378 O VAL A 83 -14.458 -4.610 -11.774 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.619 -5.862 -8.752 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.837 -5.613 -7.460 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.628 -4.732 -8.964 1.00 0.00 C ATOM 0 H VAL A 83 -13.035 -3.890 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.173 -6.896 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.150 -6.811 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.528 -5.573 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.123 -6.422 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.302 -4.666 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.315 -4.694 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.099 -3.782 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.190 -4.913 -9.880 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.917 -6.757 -11.799 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.647 -6.652 -13.091 1.00 0.00 C ATOM 1393 C ALA A 84 -16.590 -5.448 -13.089 1.00 0.00 C ATOM 1394 O ALA A 84 -16.737 -4.763 -12.096 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.441 -7.949 -13.188 1.00 0.00 C ATOM 0 H ALA A 84 -14.878 -7.696 -11.402 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.970 -6.511 -13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.013 -7.957 -14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.756 -8.797 -13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.123 -8.022 -12.341 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.201 -5.240 -14.218 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.148 -4.113 -14.385 1.00 0.00 C ATOM 1403 C PRO A 85 -19.464 -4.406 -13.662 1.00 0.00 C ATOM 1404 O PRO A 85 -19.938 -5.524 -13.641 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.358 -4.045 -15.894 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.052 -5.413 -16.396 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.067 -6.037 -15.438 1.00 0.00 C ATOM 0 HA PRO A 85 -17.778 -3.176 -13.968 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.381 -3.757 -16.136 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.702 -3.303 -16.349 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.961 -6.012 -16.456 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.633 -5.368 -17.401 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.298 -7.086 -15.256 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.051 -5.998 -15.830 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.058 -3.407 -13.070 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.344 -3.621 -12.348 1.00 0.00 C ATOM 1417 C GLY A 86 -21.061 -4.081 -10.917 1.00 0.00 C ATOM 1418 O GLY A 86 -21.925 -4.051 -10.063 1.00 0.00 O ATOM 0 H GLY A 86 -19.707 -2.449 -13.055 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.923 -2.698 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.945 -4.367 -12.868 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.859 -4.512 -10.646 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.527 -4.978 -9.270 1.00 0.00 C ATOM 1424 C GLN A 87 -18.925 -3.839 -8.446 1.00 0.00 C ATOM 1425 O GLN A 87 -18.518 -2.824 -8.973 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.503 -6.093 -9.467 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.225 -7.370 -9.886 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.252 -8.548 -9.836 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.548 -8.727 -8.863 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.185 -9.367 -10.851 1.00 0.00 N ATOM 0 H GLN A 87 -19.093 -4.561 -11.318 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.410 -5.321 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.777 -5.806 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.948 -6.261 -8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.071 -7.556 -9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.627 -7.259 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.777 -9.216 -11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.541 -10.158 -10.827 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.864 -4.007 -7.154 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.287 -2.940 -6.288 1.00 0.00 C ATOM 1441 C LYS A 88 -18.335 -3.367 -4.818 1.00 0.00 C ATOM 1442 O LYS A 88 -19.367 -3.313 -4.180 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.172 -1.715 -6.522 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.640 -2.093 -6.310 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.521 -1.260 -7.245 1.00 0.00 C ATOM 1446 CE LYS A 88 -21.621 0.171 -6.714 1.00 0.00 C ATOM 1447 NZ LYS A 88 -22.193 0.960 -7.840 1.00 0.00 N ATOM 0 H LYS A 88 -19.189 -4.838 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.242 -2.737 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.890 -0.914 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.026 -1.336 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.785 -3.155 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.925 -1.919 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.101 -1.257 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.514 -1.703 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.260 0.221 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.643 0.553 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.292 1.954 -7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.560 0.899 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.127 0.578 -8.092 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.224 -3.792 -4.277 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.205 -4.223 -2.849 1.00 0.00 C ATOM 1463 C ILE A 89 -18.023 -3.252 -1.993 1.00 0.00 C ATOM 1464 O ILE A 89 -17.551 -2.203 -1.601 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.730 -4.185 -2.443 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.959 -5.256 -3.220 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.606 -4.461 -0.943 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.492 -5.246 -2.785 1.00 0.00 C ATOM 0 H ILE A 89 -16.329 -3.859 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.640 -5.213 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.318 -3.202 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.396 -6.238 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.033 -5.067 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.555 -4.434 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.155 -3.701 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.019 -5.445 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.943 -6.008 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.059 -4.267 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.428 -5.456 -1.717 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.250 -3.593 -1.700 1.00 0.00 N ATOM 1481 CA GLU A 90 -20.097 -2.688 -0.869 1.00 0.00 C ATOM 1482 C GLU A 90 -19.376 -2.345 0.436 1.00 0.00 C ATOM 1483 O GLU A 90 -19.577 -1.293 1.010 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.372 -3.483 -0.586 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.010 -4.921 -0.208 1.00 0.00 C ATOM 1486 CD GLU A 90 -21.771 -5.325 1.057 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -21.749 -4.560 2.007 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.363 -6.391 1.053 1.00 0.00 O ATOM 0 H GLU A 90 -19.702 -4.457 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 90 -20.311 -1.745 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.932 -3.014 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -22.017 -3.479 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.259 -5.597 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.936 -5.005 -0.041 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.533 -3.223 0.905 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.794 -2.944 2.169 1.00 0.00 C ATOM 1497 C ALA A 91 -17.034 -1.633 2.054 1.00 0.00 C ATOM 1498 O ALA A 91 -16.718 -0.999 3.042 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.825 -4.116 2.327 1.00 0.00 C ATOM 0 H ALA A 91 -18.324 -4.121 0.468 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.461 -2.849 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.241 -3.985 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.388 -5.048 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.154 -4.152 1.468 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.729 -1.218 0.862 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.981 0.051 0.712 1.00 0.00 C ATOM 1507 C LEU A 92 -16.857 1.162 0.168 1.00 0.00 C ATOM 1508 O LEU A 92 -16.566 2.328 0.345 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.853 -0.257 -0.254 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.567 0.033 0.480 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.534 -1.053 0.187 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.027 1.393 0.048 1.00 0.00 C ATOM 0 H LEU A 92 -16.963 -1.698 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.615 0.404 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.890 -1.298 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.933 0.356 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.765 0.046 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.611 -0.831 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.919 -2.019 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.333 -1.085 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.098 1.601 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.837 1.385 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.759 2.166 0.281 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.911 0.835 -0.503 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.752 1.919 -1.046 1.00 0.00 C ATOM 1526 C GLU A 93 -19.731 2.415 0.021 1.00 0.00 C ATOM 1527 O GLU A 93 -20.537 3.292 -0.219 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.491 1.308 -2.237 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.492 1.003 -3.355 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.344 2.230 -4.256 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.106 2.341 -5.201 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -17.469 3.037 -3.986 1.00 0.00 O ATOM 0 H GLU A 93 -18.224 -0.116 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.162 2.783 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.002 0.395 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.256 1.996 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.526 0.732 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.834 0.149 -3.939 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.660 1.863 1.203 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.576 2.306 2.291 1.00 0.00 C ATOM 1541 C GLY A 94 -19.754 2.993 3.383 1.00 0.00 C ATOM 1542 O GLY A 94 -20.279 3.703 4.218 1.00 0.00 O ATOM 0 H GLY A 94 -19.006 1.124 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.326 2.992 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.112 1.451 2.704 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.466 2.787 3.378 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.600 3.427 4.410 1.00 0.00 C ATOM 1548 C LEU A 95 -17.715 4.950 4.320 1.00 0.00 C ATOM 1549 O LEU A 95 -17.521 5.655 5.290 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.180 2.975 4.066 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.623 2.106 5.197 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.675 1.082 5.629 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.373 1.372 4.704 1.00 0.00 C ATOM 0 H LEU A 95 -17.974 2.202 2.703 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.883 3.146 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.184 2.413 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.539 3.843 3.913 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.367 2.740 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.274 0.466 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.566 1.602 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.935 0.448 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.974 0.752 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.633 0.741 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.621 2.099 4.399 1.00 0.00 H new ATOM 1565 N ILE A 96 -18.027 5.462 3.161 1.00 0.00 N ATOM 1566 CA ILE A 96 -18.154 6.939 3.005 1.00 0.00 C ATOM 1567 C ILE A 96 -19.238 7.479 3.941 1.00 0.00 C ATOM 1568 O ILE A 96 -20.252 7.938 3.441 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.554 7.148 1.544 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.506 6.505 0.634 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.639 8.645 1.246 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -18.190 5.940 -0.613 1.00 0.00 C ATOM 1573 OXT ILE A 96 -19.035 7.426 5.144 1.00 0.00 O ATOM 0 H ILE A 96 -18.200 4.921 2.314 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.231 7.462 3.255 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.525 6.688 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.756 7.242 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.984 5.710 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.924 8.793 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.385 9.103 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.668 9.107 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.443 5.482 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.923 5.190 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.691 6.746 -1.150 1.00 0.00 H new TER 1585 ILE A 96