USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 29 SER OG : rot -77:sc= 0.943 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -3.08 K(o=-8.2,f=-19!) USER MOD Set 1.3: A 76 LYS NZ :NH3+ 139:sc= -6.02! (180deg=-8.57!) USER MOD Set 2.1: A 28 TYR OH : rot -30:sc= 1.17 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -167:sc= 0.956 (180deg=-0.109) USER MOD Set 2.3: A 54 LYS NZ :NH3+ 172:sc= -0.704! (180deg=-1.23!) USER MOD Set 2.4: A 87 COA O2B : rot -93:sc= 0.0744 USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.55 (180deg=0.167) USER MOD Single : A 1 SER OG : rot 180:sc= 0.153 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= -1.31 (180deg=-4.66!) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -1.37! (180deg=-1.75!) USER MOD Single : A 14 HIS : no HD1:sc= -3.61 K(o=-3.6,f=-5.7!) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.252) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -1.71 (180deg=-2.76!) USER MOD Single : A 24 MET CE :methyl -169:sc= -0.542 (180deg=-0.868) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -8.74! C(o=-8.7!,f=-17!) USER MOD Single : A 35 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 40 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 41 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0.479 (180deg=0.169) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0.559 (180deg=0.359) USER MOD Single : A 59 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= -2.73! (180deg=-6.23!) USER MOD Single : A 64 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.676) USER MOD Single : A 70 MET CE :methyl 151:sc= 0 (180deg=-0.446) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= 0.763 (180deg=-2.59!) USER MOD Single : A 73 TYR OH : rot 20:sc= -0.569! USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.509 (180deg=-2.18!) USER MOD Single : A 82 LYS NZ :NH3+ -144:sc= -0.621 (180deg=-3.19!) USER MOD Single : A 83 LYS NZ :NH3+ 133:sc= -0.835! (180deg=-4.89!) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0622 USER MOD Single : A 87 COA OAP : rot 110:sc= -2.58! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.790 6.778 -8.504 1.00 4.30 N ATOM 2 CA SER A 1 4.629 6.028 -7.527 1.00 3.85 C ATOM 3 C SER A 1 3.712 5.268 -6.560 1.00 3.06 C ATOM 4 O SER A 1 2.509 5.394 -6.685 1.00 3.07 O ATOM 5 CB SER A 1 5.497 7.029 -6.770 1.00 5.50 C ATOM 6 OG SER A 1 5.950 7.831 -7.859 1.00 6.62 O ATOM 0 H1 SER A 1 4.191 7.726 -8.650 1.00 4.30 H new ATOM 0 H2 SER A 1 3.771 6.267 -9.409 1.00 4.30 H new ATOM 0 H3 SER A 1 2.822 6.865 -8.135 1.00 4.30 H new ATOM 0 HA SER A 1 5.270 5.309 -8.037 1.00 3.85 H new ATOM 0 HB2 SER A 1 4.930 7.603 -6.037 1.00 5.50 H new ATOM 0 HB3 SER A 1 6.317 6.550 -6.235 1.00 5.50 H new ATOM 0 HG SER A 1 6.535 8.541 -7.521 1.00 6.62 H new ATOM 14 N GLN A 2 4.306 4.533 -5.655 1.00 3.06 N ATOM 15 CA GLN A 2 3.565 3.725 -4.641 1.00 2.50 C ATOM 16 C GLN A 2 4.348 3.849 -3.325 1.00 2.14 C ATOM 17 O GLN A 2 5.359 3.205 -3.153 1.00 2.27 O ATOM 18 CB GLN A 2 3.502 2.259 -5.129 1.00 2.25 C ATOM 19 CG GLN A 2 2.926 1.330 -4.010 1.00 2.15 C ATOM 20 CD GLN A 2 2.854 -0.106 -4.512 1.00 1.60 C ATOM 21 OE1 GLN A 2 2.057 -0.428 -5.359 1.00 2.23 O ATOM 22 NE2 GLN A 2 3.643 -1.019 -4.046 1.00 0.94 N ATOM 0 H GLN A 2 5.320 4.458 -5.576 1.00 3.06 H new ATOM 0 HA GLN A 2 2.542 4.071 -4.495 1.00 2.50 H new ATOM 0 HB2 GLN A 2 2.878 2.193 -6.020 1.00 2.25 H new ATOM 0 HB3 GLN A 2 4.499 1.921 -5.412 1.00 2.25 H new ATOM 0 HG2 GLN A 2 3.556 1.383 -3.122 1.00 2.15 H new ATOM 0 HG3 GLN A 2 1.933 1.672 -3.717 1.00 2.15 H new ATOM 0 HE21 GLN A 2 4.329 -0.783 -3.329 1.00 0.94 H new ATOM 0 HE22 GLN A 2 3.579 -1.975 -4.395 1.00 0.94 H new ATOM 31 N ALA A 3 3.862 4.676 -2.446 1.00 1.78 N ATOM 32 CA ALA A 3 4.510 4.908 -1.112 1.00 1.54 C ATOM 33 C ALA A 3 5.397 3.745 -0.567 1.00 1.29 C ATOM 34 O ALA A 3 6.464 3.975 -0.037 1.00 1.44 O ATOM 35 CB ALA A 3 3.376 5.230 -0.159 1.00 1.11 C ATOM 0 H ALA A 3 3.014 5.222 -2.596 1.00 1.78 H new ATOM 0 HA ALA A 3 5.231 5.719 -1.217 1.00 1.54 H new ATOM 0 HB1 ALA A 3 3.779 5.411 0.838 1.00 1.11 H new ATOM 0 HB2 ALA A 3 2.851 6.120 -0.506 1.00 1.11 H new ATOM 0 HB3 ALA A 3 2.682 4.390 -0.123 1.00 1.11 H new ATOM 41 N GLU A 4 4.951 2.524 -0.731 1.00 1.03 N ATOM 42 CA GLU A 4 5.737 1.373 -0.229 1.00 0.85 C ATOM 43 C GLU A 4 7.000 1.104 -1.016 1.00 0.60 C ATOM 44 O GLU A 4 8.025 0.761 -0.464 1.00 0.39 O ATOM 45 CB GLU A 4 4.792 0.164 -0.210 1.00 0.93 C ATOM 46 CG GLU A 4 4.161 0.020 1.225 1.00 1.26 C ATOM 47 CD GLU A 4 5.247 0.014 2.303 1.00 3.76 C ATOM 48 OE1 GLU A 4 5.939 -0.979 2.465 1.00 4.20 O ATOM 49 OE2 GLU A 4 5.354 1.055 2.927 1.00 5.77 O ATOM 0 H GLU A 4 4.074 2.282 -1.193 1.00 1.03 H new ATOM 0 HA GLU A 4 6.105 1.596 0.772 1.00 0.85 H new ATOM 0 HB2 GLU A 4 4.006 0.290 -0.955 1.00 0.93 H new ATOM 0 HB3 GLU A 4 5.337 -0.743 -0.473 1.00 0.93 H new ATOM 0 HG2 GLU A 4 3.468 0.842 1.406 1.00 1.26 H new ATOM 0 HG3 GLU A 4 3.583 -0.902 1.281 1.00 1.26 H new ATOM 56 N PHE A 5 6.884 1.290 -2.277 1.00 0.70 N ATOM 57 CA PHE A 5 8.002 1.091 -3.238 1.00 0.58 C ATOM 58 C PHE A 5 8.940 2.303 -3.026 1.00 0.65 C ATOM 59 O PHE A 5 10.152 2.233 -3.037 1.00 0.56 O ATOM 60 CB PHE A 5 7.352 1.094 -4.562 1.00 0.69 C ATOM 61 CG PHE A 5 8.378 1.351 -5.678 1.00 0.54 C ATOM 62 CD1 PHE A 5 8.669 2.636 -6.071 1.00 0.99 C ATOM 63 CD2 PHE A 5 9.032 0.312 -6.292 1.00 0.10 C ATOM 64 CE1 PHE A 5 9.599 2.879 -7.061 1.00 0.93 C ATOM 65 CE2 PHE A 5 9.962 0.545 -7.286 1.00 0.26 C ATOM 66 CZ PHE A 5 10.249 1.833 -7.673 1.00 0.50 C ATOM 0 H PHE A 5 6.014 1.589 -2.718 1.00 0.70 H new ATOM 0 HA PHE A 5 8.585 0.177 -3.124 1.00 0.58 H new ATOM 0 HB2 PHE A 5 6.858 0.137 -4.731 1.00 0.69 H new ATOM 0 HB3 PHE A 5 6.579 1.862 -4.590 1.00 0.69 H new ATOM 0 HD1 PHE A 5 8.163 3.465 -5.599 1.00 0.99 H new ATOM 0 HD2 PHE A 5 8.816 -0.703 -5.993 1.00 0.10 H new ATOM 0 HE1 PHE A 5 9.817 3.895 -7.356 1.00 0.93 H new ATOM 0 HE2 PHE A 5 10.464 -0.285 -7.760 1.00 0.26 H new ATOM 0 HZ PHE A 5 10.977 2.021 -8.449 1.00 0.50 H new ATOM 76 N ASP A 6 8.305 3.420 -2.852 1.00 0.93 N ATOM 77 CA ASP A 6 9.031 4.692 -2.624 1.00 1.10 C ATOM 78 C ASP A 6 9.886 4.532 -1.367 1.00 1.07 C ATOM 79 O ASP A 6 11.084 4.743 -1.316 1.00 1.18 O ATOM 80 CB ASP A 6 7.941 5.727 -2.496 1.00 1.36 C ATOM 81 CG ASP A 6 7.204 5.986 -3.810 1.00 1.68 C ATOM 82 OD1 ASP A 6 6.859 5.052 -4.512 1.00 1.72 O ATOM 83 OD2 ASP A 6 7.005 7.154 -4.054 1.00 2.46 O ATOM 0 H ASP A 6 7.289 3.507 -2.858 1.00 0.93 H new ATOM 0 HA ASP A 6 9.719 4.984 -3.418 1.00 1.10 H new ATOM 0 HB2 ASP A 6 7.224 5.400 -1.742 1.00 1.36 H new ATOM 0 HB3 ASP A 6 8.375 6.661 -2.139 1.00 1.36 H new ATOM 88 N LYS A 7 9.178 4.109 -0.361 1.00 0.95 N ATOM 89 CA LYS A 7 9.811 3.886 0.966 1.00 1.02 C ATOM 90 C LYS A 7 10.923 2.865 0.756 1.00 0.86 C ATOM 91 O LYS A 7 11.967 2.965 1.351 1.00 1.04 O ATOM 92 CB LYS A 7 8.798 3.318 1.969 1.00 1.03 C ATOM 93 CG LYS A 7 9.492 3.316 3.363 1.00 1.13 C ATOM 94 CD LYS A 7 8.637 2.630 4.479 1.00 1.68 C ATOM 95 CE LYS A 7 8.736 1.093 4.407 1.00 3.06 C ATOM 96 NZ LYS A 7 7.849 0.582 3.320 1.00 5.08 N ATOM 0 H LYS A 7 8.179 3.906 -0.401 1.00 0.95 H new ATOM 0 HA LYS A 7 10.188 4.828 1.364 1.00 1.02 H new ATOM 0 HB2 LYS A 7 7.893 3.925 1.989 1.00 1.03 H new ATOM 0 HB3 LYS A 7 8.498 2.309 1.686 1.00 1.03 H new ATOM 0 HG2 LYS A 7 10.451 2.804 3.283 1.00 1.13 H new ATOM 0 HG3 LYS A 7 9.703 4.344 3.657 1.00 1.13 H new ATOM 0 HD2 LYS A 7 8.974 2.971 5.458 1.00 1.68 H new ATOM 0 HD3 LYS A 7 7.595 2.933 4.377 1.00 1.68 H new ATOM 0 HE2 LYS A 7 9.767 0.794 4.219 1.00 3.06 H new ATOM 0 HE3 LYS A 7 8.446 0.655 5.362 1.00 3.06 H new ATOM 0 HZ1 LYS A 7 7.418 -0.316 3.617 1.00 5.08 H new ATOM 0 HZ2 LYS A 7 7.101 1.278 3.127 1.00 5.08 H new ATOM 0 HZ3 LYS A 7 8.410 0.428 2.458 1.00 5.08 H new ATOM 110 N ALA A 8 10.667 1.919 -0.108 1.00 0.53 N ATOM 111 CA ALA A 8 11.673 0.858 -0.393 1.00 0.38 C ATOM 112 C ALA A 8 12.888 1.602 -0.998 1.00 0.38 C ATOM 113 O ALA A 8 13.988 1.463 -0.512 1.00 0.36 O ATOM 114 CB ALA A 8 11.011 -0.161 -1.371 1.00 0.22 C ATOM 0 H ALA A 8 9.796 1.836 -0.632 1.00 0.53 H new ATOM 0 HA ALA A 8 12.004 0.290 0.477 1.00 0.38 H new ATOM 0 HB1 ALA A 8 11.720 -0.955 -1.604 1.00 0.22 H new ATOM 0 HB2 ALA A 8 10.125 -0.591 -0.904 1.00 0.22 H new ATOM 0 HB3 ALA A 8 10.725 0.350 -2.290 1.00 0.22 H new ATOM 120 N ALA A 9 12.699 2.376 -2.041 1.00 0.44 N ATOM 121 CA ALA A 9 13.851 3.126 -2.646 1.00 0.43 C ATOM 122 C ALA A 9 14.655 3.836 -1.554 1.00 0.51 C ATOM 123 O ALA A 9 15.870 3.799 -1.567 1.00 0.48 O ATOM 124 CB ALA A 9 13.275 4.119 -3.658 1.00 0.42 C ATOM 0 H ALA A 9 11.800 2.522 -2.500 1.00 0.44 H new ATOM 0 HA ALA A 9 14.537 2.446 -3.151 1.00 0.43 H new ATOM 0 HB1 ALA A 9 14.087 4.682 -4.118 1.00 0.42 H new ATOM 0 HB2 ALA A 9 12.728 3.577 -4.429 1.00 0.42 H new ATOM 0 HB3 ALA A 9 12.599 4.806 -3.149 1.00 0.42 H new ATOM 130 N GLU A 10 13.954 4.451 -0.646 1.00 0.64 N ATOM 131 CA GLU A 10 14.623 5.164 0.468 1.00 0.75 C ATOM 132 C GLU A 10 15.375 4.111 1.260 1.00 0.80 C ATOM 133 O GLU A 10 16.586 4.137 1.322 1.00 0.94 O ATOM 134 CB GLU A 10 13.494 5.874 1.265 1.00 0.59 C ATOM 135 CG GLU A 10 12.951 7.015 0.351 1.00 0.79 C ATOM 136 CD GLU A 10 14.065 8.047 0.155 1.00 3.07 C ATOM 137 OE1 GLU A 10 14.104 8.910 1.012 1.00 3.26 O ATOM 138 OE2 GLU A 10 14.805 7.906 -0.810 1.00 5.09 O ATOM 0 H GLU A 10 12.935 4.489 -0.630 1.00 0.64 H new ATOM 0 HA GLU A 10 15.345 5.924 0.168 1.00 0.75 H new ATOM 0 HB2 GLU A 10 12.700 5.172 1.521 1.00 0.59 H new ATOM 0 HB3 GLU A 10 13.877 6.278 2.202 1.00 0.59 H new ATOM 0 HG2 GLU A 10 12.633 6.612 -0.611 1.00 0.79 H new ATOM 0 HG3 GLU A 10 12.077 7.482 0.805 1.00 0.79 H new ATOM 145 N GLU A 11 14.652 3.186 1.823 1.00 0.74 N ATOM 146 CA GLU A 11 15.235 2.079 2.641 1.00 0.83 C ATOM 147 C GLU A 11 16.536 1.547 1.998 1.00 0.85 C ATOM 148 O GLU A 11 17.577 1.417 2.614 1.00 1.11 O ATOM 149 CB GLU A 11 14.174 0.983 2.726 1.00 0.82 C ATOM 150 CG GLU A 11 12.995 1.452 3.650 1.00 1.15 C ATOM 151 CD GLU A 11 12.672 0.562 4.854 1.00 1.54 C ATOM 152 OE1 GLU A 11 13.143 -0.562 4.863 1.00 1.79 O ATOM 153 OE2 GLU A 11 11.942 1.062 5.699 1.00 1.69 O ATOM 0 H GLU A 11 13.635 3.149 1.747 1.00 0.74 H new ATOM 0 HA GLU A 11 15.502 2.431 3.637 1.00 0.83 H new ATOM 0 HB2 GLU A 11 13.797 0.752 1.730 1.00 0.82 H new ATOM 0 HB3 GLU A 11 14.615 0.068 3.121 1.00 0.82 H new ATOM 0 HG2 GLU A 11 13.227 2.452 4.018 1.00 1.15 H new ATOM 0 HG3 GLU A 11 12.097 1.538 3.039 1.00 1.15 H new ATOM 160 N VAL A 12 16.426 1.278 0.723 1.00 0.56 N ATOM 161 CA VAL A 12 17.564 0.740 -0.064 1.00 0.51 C ATOM 162 C VAL A 12 18.652 1.796 -0.285 1.00 0.47 C ATOM 163 O VAL A 12 19.780 1.493 0.043 1.00 0.56 O ATOM 164 CB VAL A 12 16.957 0.172 -1.400 1.00 0.56 C ATOM 165 CG1 VAL A 12 17.330 0.948 -2.672 1.00 0.70 C ATOM 166 CG2 VAL A 12 17.456 -1.264 -1.589 1.00 0.77 C ATOM 0 H VAL A 12 15.570 1.414 0.185 1.00 0.56 H new ATOM 0 HA VAL A 12 18.076 -0.059 0.472 1.00 0.51 H new ATOM 0 HB VAL A 12 15.876 0.253 -1.284 1.00 0.56 H new ATOM 0 HG11 VAL A 12 16.862 0.476 -3.536 1.00 0.70 H new ATOM 0 HG12 VAL A 12 16.980 1.977 -2.586 1.00 0.70 H new ATOM 0 HG13 VAL A 12 18.413 0.942 -2.797 1.00 0.70 H new ATOM 0 HG21 VAL A 12 17.044 -1.674 -2.511 1.00 0.77 H new ATOM 0 HG22 VAL A 12 18.545 -1.267 -1.645 1.00 0.77 H new ATOM 0 HG23 VAL A 12 17.134 -1.875 -0.745 1.00 0.77 H new ATOM 176 N LYS A 13 18.412 2.984 -0.796 1.00 0.44 N ATOM 177 CA LYS A 13 19.564 3.929 -0.953 1.00 0.60 C ATOM 178 C LYS A 13 20.125 4.168 0.481 1.00 0.57 C ATOM 179 O LYS A 13 21.265 4.498 0.708 1.00 1.05 O ATOM 180 CB LYS A 13 19.042 5.239 -1.626 1.00 0.67 C ATOM 181 CG LYS A 13 19.694 5.455 -3.058 1.00 1.76 C ATOM 182 CD LYS A 13 19.168 6.815 -3.692 1.00 1.68 C ATOM 183 CE LYS A 13 20.291 7.837 -4.170 1.00 1.59 C ATOM 184 NZ LYS A 13 20.662 7.669 -5.622 1.00 3.02 N ATOM 0 H LYS A 13 17.502 3.330 -1.101 1.00 0.44 H new ATOM 0 HA LYS A 13 20.360 3.542 -1.590 1.00 0.60 H new ATOM 0 HB2 LYS A 13 17.957 5.193 -1.722 1.00 0.67 H new ATOM 0 HB3 LYS A 13 19.270 6.093 -0.988 1.00 0.67 H new ATOM 0 HG2 LYS A 13 20.780 5.480 -2.973 1.00 1.76 H new ATOM 0 HG3 LYS A 13 19.444 4.619 -3.711 1.00 1.76 H new ATOM 0 HD2 LYS A 13 18.535 6.575 -4.546 1.00 1.68 H new ATOM 0 HD3 LYS A 13 18.537 7.316 -2.958 1.00 1.68 H new ATOM 0 HE2 LYS A 13 19.941 8.856 -4.006 1.00 1.59 H new ATOM 0 HE3 LYS A 13 21.181 7.703 -3.556 1.00 1.59 H new ATOM 0 HZ1 LYS A 13 21.563 8.155 -5.809 1.00 3.02 H new ATOM 0 HZ2 LYS A 13 20.763 6.657 -5.840 1.00 3.02 H new ATOM 0 HZ3 LYS A 13 19.917 8.079 -6.220 1.00 3.02 H new ATOM 198 N HIS A 14 19.295 3.958 1.457 1.00 0.50 N ATOM 199 CA HIS A 14 19.714 4.156 2.883 1.00 0.84 C ATOM 200 C HIS A 14 20.519 2.943 3.406 1.00 1.00 C ATOM 201 O HIS A 14 21.094 3.012 4.477 1.00 1.11 O ATOM 202 CB HIS A 14 18.444 4.372 3.727 1.00 0.93 C ATOM 203 CG HIS A 14 17.786 5.703 3.359 1.00 1.07 C ATOM 204 ND1 HIS A 14 16.517 5.879 3.207 1.00 1.33 N ATOM 205 CD2 HIS A 14 18.334 6.947 3.125 1.00 1.34 C ATOM 206 CE1 HIS A 14 16.286 7.125 2.907 1.00 1.42 C ATOM 207 NE2 HIS A 14 17.391 7.821 2.848 1.00 1.51 N ATOM 0 H HIS A 14 18.329 3.653 1.335 1.00 0.50 H new ATOM 0 HA HIS A 14 20.368 5.025 2.956 1.00 0.84 H new ATOM 0 HB2 HIS A 14 17.744 3.553 3.560 1.00 0.93 H new ATOM 0 HB3 HIS A 14 18.697 4.364 4.787 1.00 0.93 H new ATOM 0 HD2 HIS A 14 19.390 7.172 3.164 1.00 1.34 H new ATOM 0 HE1 HIS A 14 15.302 7.533 2.729 1.00 1.42 H new ATOM 0 HE2 HIS A 14 17.497 8.813 2.636 1.00 1.51 H new ATOM 215 N LEU A 15 20.544 1.859 2.664 1.00 1.04 N ATOM 216 CA LEU A 15 21.310 0.647 3.103 1.00 1.21 C ATOM 217 C LEU A 15 22.694 1.087 3.548 1.00 1.65 C ATOM 218 O LEU A 15 23.346 1.869 2.886 1.00 2.14 O ATOM 219 CB LEU A 15 21.468 -0.356 1.937 1.00 0.96 C ATOM 220 CG LEU A 15 20.214 -1.211 1.790 1.00 0.49 C ATOM 221 CD1 LEU A 15 20.373 -1.993 0.491 1.00 0.58 C ATOM 222 CD2 LEU A 15 20.172 -2.256 2.905 1.00 0.59 C ATOM 0 H LEU A 15 20.064 1.762 1.769 1.00 1.04 H new ATOM 0 HA LEU A 15 20.768 0.163 3.916 1.00 1.21 H new ATOM 0 HB2 LEU A 15 21.657 0.184 1.009 1.00 0.96 H new ATOM 0 HB3 LEU A 15 22.332 -0.996 2.115 1.00 0.96 H new ATOM 0 HG LEU A 15 19.324 -0.582 1.816 1.00 0.49 H new ATOM 0 HD11 LEU A 15 19.498 -2.624 0.337 1.00 0.58 H new ATOM 0 HD12 LEU A 15 20.470 -1.298 -0.343 1.00 0.58 H new ATOM 0 HD13 LEU A 15 21.265 -2.617 0.549 1.00 0.58 H new ATOM 0 HD21 LEU A 15 19.275 -2.866 2.798 1.00 0.59 H new ATOM 0 HD22 LEU A 15 21.054 -2.893 2.840 1.00 0.59 H new ATOM 0 HD23 LEU A 15 20.157 -1.755 3.873 1.00 0.59 H new ATOM 234 N LYS A 16 23.142 0.564 4.653 1.00 1.67 N ATOM 235 CA LYS A 16 24.504 0.970 5.133 1.00 1.88 C ATOM 236 C LYS A 16 25.574 0.601 4.088 1.00 1.51 C ATOM 237 O LYS A 16 26.712 1.019 4.143 1.00 1.52 O ATOM 238 CB LYS A 16 24.746 0.263 6.473 1.00 2.04 C ATOM 239 CG LYS A 16 23.602 0.667 7.429 1.00 3.10 C ATOM 240 CD LYS A 16 23.817 -0.031 8.791 1.00 3.37 C ATOM 241 CE LYS A 16 22.535 0.025 9.629 1.00 2.94 C ATOM 242 NZ LYS A 16 22.111 1.456 9.785 1.00 1.68 N ATOM 0 H LYS A 16 22.645 -0.110 5.236 1.00 1.67 H new ATOM 0 HA LYS A 16 24.566 2.049 5.272 1.00 1.88 H new ATOM 0 HB2 LYS A 16 24.767 -0.818 6.337 1.00 2.04 H new ATOM 0 HB3 LYS A 16 25.712 0.551 6.889 1.00 2.04 H new ATOM 0 HG2 LYS A 16 23.584 1.749 7.559 1.00 3.10 H new ATOM 0 HG3 LYS A 16 22.639 0.380 7.007 1.00 3.10 H new ATOM 0 HD2 LYS A 16 24.110 -1.069 8.633 1.00 3.37 H new ATOM 0 HD3 LYS A 16 24.632 0.452 9.330 1.00 3.37 H new ATOM 0 HE2 LYS A 16 21.745 -0.550 9.146 1.00 2.94 H new ATOM 0 HE3 LYS A 16 22.705 -0.425 10.607 1.00 2.94 H new ATOM 0 HZ1 LYS A 16 21.406 1.528 10.547 1.00 1.68 H new ATOM 0 HZ2 LYS A 16 22.939 2.039 10.022 1.00 1.68 H new ATOM 0 HZ3 LYS A 16 21.694 1.794 8.894 1.00 1.68 H new ATOM 256 N THR A 17 25.172 -0.207 3.152 1.00 1.35 N ATOM 257 CA THR A 17 26.099 -0.643 2.071 1.00 1.45 C ATOM 258 C THR A 17 25.501 -0.723 0.672 1.00 1.91 C ATOM 259 O THR A 17 24.313 -0.838 0.462 1.00 3.12 O ATOM 260 CB THR A 17 26.658 -1.983 2.518 1.00 1.00 C ATOM 261 OG1 THR A 17 27.513 -1.627 3.590 1.00 0.87 O ATOM 262 CG2 THR A 17 27.650 -2.606 1.537 1.00 1.52 C ATOM 0 H THR A 17 24.229 -0.590 3.087 1.00 1.35 H new ATOM 0 HA THR A 17 26.868 0.120 1.950 1.00 1.45 H new ATOM 0 HB THR A 17 25.825 -2.666 2.687 1.00 1.00 H new ATOM 0 HG1 THR A 17 27.930 -2.434 3.958 1.00 0.87 H new ATOM 0 HG21 THR A 17 28.001 -3.560 1.931 1.00 1.52 H new ATOM 0 HG22 THR A 17 27.159 -2.768 0.577 1.00 1.52 H new ATOM 0 HG23 THR A 17 28.498 -1.935 1.402 1.00 1.52 H new ATOM 270 N LYS A 18 26.409 -0.662 -0.254 1.00 0.96 N ATOM 271 CA LYS A 18 26.162 -0.719 -1.718 1.00 1.11 C ATOM 272 C LYS A 18 26.294 -2.229 -2.040 1.00 1.00 C ATOM 273 O LYS A 18 27.396 -2.743 -2.004 1.00 1.32 O ATOM 274 CB LYS A 18 27.252 0.177 -2.323 1.00 1.38 C ATOM 275 CG LYS A 18 27.265 0.198 -3.872 1.00 3.07 C ATOM 276 CD LYS A 18 27.978 -1.037 -4.489 1.00 2.84 C ATOM 277 CE LYS A 18 29.362 -1.372 -3.873 1.00 2.81 C ATOM 278 NZ LYS A 18 30.067 -0.095 -3.489 1.00 2.84 N ATOM 0 H LYS A 18 27.399 -0.566 -0.030 1.00 0.96 H new ATOM 0 HA LYS A 18 25.204 -0.368 -2.100 1.00 1.11 H new ATOM 0 HB2 LYS A 18 27.115 1.195 -1.958 1.00 1.38 H new ATOM 0 HB3 LYS A 18 28.225 -0.161 -1.967 1.00 1.38 H new ATOM 0 HG2 LYS A 18 26.239 0.239 -4.238 1.00 3.07 H new ATOM 0 HG3 LYS A 18 27.762 1.106 -4.214 1.00 3.07 H new ATOM 0 HD2 LYS A 18 27.328 -1.905 -4.378 1.00 2.84 H new ATOM 0 HD3 LYS A 18 28.105 -0.868 -5.558 1.00 2.84 H new ATOM 0 HE2 LYS A 18 29.237 -2.008 -2.997 1.00 2.81 H new ATOM 0 HE3 LYS A 18 29.965 -1.931 -4.589 1.00 2.81 H new ATOM 0 HZ1 LYS A 18 31.074 -0.165 -3.740 1.00 2.84 H new ATOM 0 HZ2 LYS A 18 29.638 0.705 -3.997 1.00 2.84 H new ATOM 0 HZ3 LYS A 18 29.976 0.057 -2.464 1.00 2.84 H new ATOM 292 N PRO A 19 25.208 -2.911 -2.327 1.00 0.68 N ATOM 293 CA PRO A 19 25.238 -4.369 -2.647 1.00 0.52 C ATOM 294 C PRO A 19 26.046 -4.760 -3.900 1.00 0.64 C ATOM 295 O PRO A 19 26.647 -3.940 -4.570 1.00 0.92 O ATOM 296 CB PRO A 19 23.725 -4.727 -2.689 1.00 0.27 C ATOM 297 CG PRO A 19 23.087 -3.594 -1.832 1.00 0.68 C ATOM 298 CD PRO A 19 23.817 -2.382 -2.356 1.00 0.79 C ATOM 0 HA PRO A 19 25.791 -4.950 -1.909 1.00 0.52 H new ATOM 0 HB2 PRO A 19 23.337 -4.733 -3.708 1.00 0.27 H new ATOM 0 HB3 PRO A 19 23.529 -5.713 -2.268 1.00 0.27 H new ATOM 0 HG2 PRO A 19 22.010 -3.522 -1.982 1.00 0.68 H new ATOM 0 HG3 PRO A 19 23.251 -3.743 -0.765 1.00 0.68 H new ATOM 0 HD2 PRO A 19 23.496 -2.099 -3.358 1.00 0.79 H new ATOM 0 HD3 PRO A 19 23.687 -1.506 -1.720 1.00 0.79 H new ATOM 306 N ALA A 20 26.042 -6.022 -4.231 1.00 0.59 N ATOM 307 CA ALA A 20 26.824 -6.471 -5.431 1.00 0.96 C ATOM 308 C ALA A 20 26.124 -6.144 -6.766 1.00 0.69 C ATOM 309 O ALA A 20 24.923 -5.950 -6.794 1.00 0.59 O ATOM 310 CB ALA A 20 27.017 -7.972 -5.259 1.00 1.26 C ATOM 0 H ALA A 20 25.540 -6.758 -3.734 1.00 0.59 H new ATOM 0 HA ALA A 20 27.774 -5.940 -5.484 1.00 0.96 H new ATOM 0 HB1 ALA A 20 27.583 -8.365 -6.104 1.00 1.26 H new ATOM 0 HB2 ALA A 20 27.563 -8.165 -4.335 1.00 1.26 H new ATOM 0 HB3 ALA A 20 26.044 -8.461 -5.215 1.00 1.26 H new ATOM 316 N ASP A 21 26.876 -6.082 -7.834 1.00 0.57 N ATOM 317 CA ASP A 21 26.262 -5.782 -9.156 1.00 0.34 C ATOM 318 C ASP A 21 24.925 -6.485 -9.392 1.00 0.35 C ATOM 319 O ASP A 21 23.955 -5.804 -9.580 1.00 0.39 O ATOM 320 CB ASP A 21 27.288 -6.167 -10.237 1.00 0.19 C ATOM 321 CG ASP A 21 28.501 -5.243 -10.245 1.00 0.57 C ATOM 322 OD1 ASP A 21 28.878 -4.699 -9.217 1.00 1.29 O ATOM 323 OD2 ASP A 21 29.051 -5.091 -11.323 1.00 2.72 O ATOM 0 H ASP A 21 27.886 -6.226 -7.846 1.00 0.57 H new ATOM 0 HA ASP A 21 26.023 -4.719 -9.193 1.00 0.34 H new ATOM 0 HB2 ASP A 21 27.618 -7.193 -10.072 1.00 0.19 H new ATOM 0 HB3 ASP A 21 26.808 -6.140 -11.215 1.00 0.19 H new ATOM 328 N GLU A 22 24.862 -7.785 -9.392 1.00 0.34 N ATOM 329 CA GLU A 22 23.537 -8.456 -9.619 1.00 0.46 C ATOM 330 C GLU A 22 22.358 -7.796 -8.836 1.00 0.57 C ATOM 331 O GLU A 22 21.365 -7.407 -9.427 1.00 1.10 O ATOM 332 CB GLU A 22 23.714 -9.958 -9.246 1.00 0.46 C ATOM 333 CG GLU A 22 24.547 -10.662 -10.392 1.00 0.84 C ATOM 334 CD GLU A 22 23.799 -10.704 -11.746 1.00 3.46 C ATOM 335 OE1 GLU A 22 22.582 -10.614 -11.766 1.00 5.12 O ATOM 336 OE2 GLU A 22 24.528 -10.829 -12.709 1.00 4.64 O ATOM 0 H GLU A 22 25.654 -8.412 -9.248 1.00 0.34 H new ATOM 0 HA GLU A 22 23.255 -8.344 -10.666 1.00 0.46 H new ATOM 0 HB2 GLU A 22 24.229 -10.053 -8.290 1.00 0.46 H new ATOM 0 HB3 GLU A 22 22.742 -10.438 -9.134 1.00 0.46 H new ATOM 0 HG2 GLU A 22 25.492 -10.135 -10.522 1.00 0.84 H new ATOM 0 HG3 GLU A 22 24.788 -11.680 -10.085 1.00 0.84 H new ATOM 343 N GLU A 23 22.464 -7.657 -7.535 1.00 0.23 N ATOM 344 CA GLU A 23 21.300 -7.005 -6.834 1.00 0.21 C ATOM 345 C GLU A 23 21.211 -5.565 -7.379 1.00 0.18 C ATOM 346 O GLU A 23 20.127 -5.093 -7.670 1.00 0.30 O ATOM 347 CB GLU A 23 21.525 -7.054 -5.283 1.00 0.43 C ATOM 348 CG GLU A 23 21.053 -8.485 -4.794 1.00 1.03 C ATOM 349 CD GLU A 23 19.533 -8.661 -4.607 1.00 2.65 C ATOM 350 OE1 GLU A 23 18.791 -8.269 -5.495 1.00 4.96 O ATOM 351 OE2 GLU A 23 19.199 -9.199 -3.560 1.00 1.67 O ATOM 0 H GLU A 23 23.251 -7.945 -6.954 1.00 0.23 H new ATOM 0 HA GLU A 23 20.358 -7.521 -7.021 1.00 0.21 H new ATOM 0 HB2 GLU A 23 22.575 -6.890 -5.040 1.00 0.43 H new ATOM 0 HB3 GLU A 23 20.956 -6.269 -4.785 1.00 0.43 H new ATOM 0 HG2 GLU A 23 21.400 -9.227 -5.513 1.00 1.03 H new ATOM 0 HG3 GLU A 23 21.545 -8.705 -3.846 1.00 1.03 H new ATOM 358 N MET A 24 22.334 -4.886 -7.504 1.00 0.15 N ATOM 359 CA MET A 24 22.292 -3.482 -8.048 1.00 0.14 C ATOM 360 C MET A 24 21.523 -3.471 -9.404 1.00 0.20 C ATOM 361 O MET A 24 20.678 -2.645 -9.638 1.00 0.34 O ATOM 362 CB MET A 24 23.748 -3.020 -8.191 1.00 0.21 C ATOM 363 CG MET A 24 24.392 -2.774 -6.817 1.00 0.42 C ATOM 364 SD MET A 24 25.958 -1.877 -6.892 1.00 2.38 S ATOM 365 CE MET A 24 25.183 -0.248 -6.790 1.00 1.12 C ATOM 0 H MET A 24 23.261 -5.234 -7.258 1.00 0.15 H new ATOM 0 HA MET A 24 21.761 -2.797 -7.387 1.00 0.14 H new ATOM 0 HB2 MET A 24 24.319 -3.773 -8.733 1.00 0.21 H new ATOM 0 HB3 MET A 24 23.785 -2.105 -8.782 1.00 0.21 H new ATOM 0 HG2 MET A 24 23.694 -2.215 -6.194 1.00 0.42 H new ATOM 0 HG3 MET A 24 24.557 -3.734 -6.327 1.00 0.42 H new ATOM 0 HE1 MET A 24 25.923 0.521 -7.011 1.00 1.12 H new ATOM 0 HE2 MET A 24 24.369 -0.187 -7.512 1.00 1.12 H new ATOM 0 HE3 MET A 24 24.789 -0.095 -5.785 1.00 1.12 H new ATOM 375 N LEU A 25 21.852 -4.403 -10.248 1.00 0.11 N ATOM 376 CA LEU A 25 21.299 -4.661 -11.598 1.00 0.16 C ATOM 377 C LEU A 25 19.770 -4.826 -11.426 1.00 0.06 C ATOM 378 O LEU A 25 18.988 -4.099 -12.015 1.00 0.32 O ATOM 379 CB LEU A 25 22.003 -5.942 -12.101 1.00 0.28 C ATOM 380 CG LEU A 25 23.382 -5.774 -12.783 1.00 0.32 C ATOM 381 CD1 LEU A 25 23.807 -7.171 -13.273 1.00 0.19 C ATOM 382 CD2 LEU A 25 23.315 -4.880 -14.045 1.00 0.37 C ATOM 0 H LEU A 25 22.579 -5.079 -10.013 1.00 0.11 H new ATOM 0 HA LEU A 25 21.465 -3.867 -12.325 1.00 0.16 H new ATOM 0 HB2 LEU A 25 22.126 -6.614 -11.252 1.00 0.28 H new ATOM 0 HB3 LEU A 25 21.336 -6.438 -12.806 1.00 0.28 H new ATOM 0 HG LEU A 25 24.065 -5.320 -12.065 1.00 0.32 H new ATOM 0 HD11 LEU A 25 24.778 -7.105 -13.763 1.00 0.19 H new ATOM 0 HD12 LEU A 25 23.875 -7.850 -12.423 1.00 0.19 H new ATOM 0 HD13 LEU A 25 23.069 -7.549 -13.980 1.00 0.19 H new ATOM 0 HD21 LEU A 25 24.309 -4.795 -14.484 1.00 0.37 H new ATOM 0 HD22 LEU A 25 22.634 -5.325 -14.771 1.00 0.37 H new ATOM 0 HD23 LEU A 25 22.954 -3.889 -13.770 1.00 0.37 H new ATOM 394 N PHE A 26 19.425 -5.774 -10.589 1.00 0.24 N ATOM 395 CA PHE A 26 17.997 -6.103 -10.278 1.00 0.32 C ATOM 396 C PHE A 26 17.358 -4.945 -9.472 1.00 0.41 C ATOM 397 O PHE A 26 16.152 -4.876 -9.272 1.00 1.24 O ATOM 398 CB PHE A 26 18.012 -7.423 -9.502 1.00 0.53 C ATOM 399 CG PHE A 26 16.584 -7.849 -9.123 1.00 0.54 C ATOM 400 CD1 PHE A 26 16.024 -7.406 -7.947 1.00 2.20 C ATOM 401 CD2 PHE A 26 15.846 -8.677 -9.950 1.00 2.64 C ATOM 402 CE1 PHE A 26 14.724 -7.801 -7.605 1.00 2.39 C ATOM 403 CE2 PHE A 26 14.560 -9.058 -9.607 1.00 2.56 C ATOM 404 CZ PHE A 26 13.992 -8.620 -8.430 1.00 0.89 C ATOM 0 H PHE A 26 20.100 -6.354 -10.091 1.00 0.24 H new ATOM 0 HA PHE A 26 17.393 -6.219 -11.178 1.00 0.32 H new ATOM 0 HB2 PHE A 26 18.480 -8.200 -10.106 1.00 0.53 H new ATOM 0 HB3 PHE A 26 18.615 -7.314 -8.601 1.00 0.53 H new ATOM 0 HD1 PHE A 26 16.584 -6.757 -7.290 1.00 2.20 H new ATOM 0 HD2 PHE A 26 16.278 -9.030 -10.874 1.00 2.64 H new ATOM 0 HE1 PHE A 26 14.290 -7.456 -6.678 1.00 2.39 H new ATOM 0 HE2 PHE A 26 13.998 -9.703 -10.266 1.00 2.56 H new ATOM 0 HZ PHE A 26 12.989 -8.916 -8.161 1.00 0.89 H new ATOM 414 N ILE A 27 18.192 -4.045 -9.006 1.00 0.77 N ATOM 415 CA ILE A 27 17.631 -2.902 -8.240 1.00 0.71 C ATOM 416 C ILE A 27 17.291 -1.840 -9.310 1.00 0.55 C ATOM 417 O ILE A 27 16.163 -1.412 -9.420 1.00 0.72 O ATOM 418 CB ILE A 27 18.674 -2.303 -7.187 1.00 1.04 C ATOM 419 CG1 ILE A 27 18.948 -3.227 -5.909 1.00 1.68 C ATOM 420 CG2 ILE A 27 18.089 -0.945 -6.730 1.00 0.62 C ATOM 421 CD1 ILE A 27 18.570 -2.482 -4.579 1.00 2.74 C ATOM 0 H ILE A 27 19.205 -4.054 -9.121 1.00 0.77 H new ATOM 0 HA ILE A 27 16.767 -3.214 -7.654 1.00 0.71 H new ATOM 0 HB ILE A 27 19.644 -2.219 -7.678 1.00 1.04 H new ATOM 0 HG12 ILE A 27 18.369 -4.147 -5.991 1.00 1.68 H new ATOM 0 HG13 ILE A 27 19.999 -3.513 -5.883 1.00 1.68 H new ATOM 0 HG21 ILE A 27 18.761 -0.485 -6.006 1.00 0.62 H new ATOM 0 HG22 ILE A 27 17.979 -0.287 -7.592 1.00 0.62 H new ATOM 0 HG23 ILE A 27 17.114 -1.105 -6.270 1.00 0.62 H new ATOM 0 HD11 ILE A 27 18.767 -3.134 -3.728 1.00 2.74 H new ATOM 0 HD12 ILE A 27 19.168 -1.575 -4.487 1.00 2.74 H new ATOM 0 HD13 ILE A 27 17.512 -2.219 -4.597 1.00 2.74 H new ATOM 433 N TYR A 28 18.289 -1.476 -10.065 1.00 0.52 N ATOM 434 CA TYR A 28 18.202 -0.473 -11.165 1.00 0.49 C ATOM 435 C TYR A 28 17.023 -0.848 -12.064 1.00 0.34 C ATOM 436 O TYR A 28 16.072 -0.103 -12.196 1.00 0.35 O ATOM 437 CB TYR A 28 19.532 -0.513 -11.947 1.00 0.69 C ATOM 438 CG TYR A 28 19.548 0.641 -12.960 1.00 0.79 C ATOM 439 CD1 TYR A 28 19.662 1.927 -12.488 1.00 1.13 C ATOM 440 CD2 TYR A 28 19.442 0.446 -14.328 1.00 0.74 C ATOM 441 CE1 TYR A 28 19.669 2.991 -13.355 1.00 1.36 C ATOM 442 CE2 TYR A 28 19.452 1.527 -15.192 1.00 0.84 C ATOM 443 CZ TYR A 28 19.568 2.812 -14.710 1.00 1.18 C ATOM 444 OH TYR A 28 19.603 3.900 -15.554 1.00 1.39 O ATOM 0 H TYR A 28 19.226 -1.862 -9.953 1.00 0.52 H new ATOM 0 HA TYR A 28 18.043 0.536 -10.784 1.00 0.49 H new ATOM 0 HB2 TYR A 28 20.375 -0.425 -11.262 1.00 0.69 H new ATOM 0 HB3 TYR A 28 19.638 -1.468 -12.462 1.00 0.69 H new ATOM 0 HD1 TYR A 28 19.747 2.102 -11.426 1.00 1.13 H new ATOM 0 HD2 TYR A 28 19.351 -0.555 -14.722 1.00 0.74 H new ATOM 0 HE1 TYR A 28 19.756 3.993 -12.960 1.00 1.36 H new ATOM 0 HE2 TYR A 28 19.368 1.361 -16.256 1.00 0.84 H new ATOM 0 HH TYR A 28 19.231 4.682 -15.095 1.00 1.39 H new ATOM 454 N SER A 29 17.154 -2.019 -12.655 1.00 0.24 N ATOM 455 CA SER A 29 16.107 -2.592 -13.580 1.00 0.25 C ATOM 456 C SER A 29 14.709 -2.294 -13.058 1.00 0.19 C ATOM 457 O SER A 29 13.924 -1.573 -13.634 1.00 0.21 O ATOM 458 CB SER A 29 16.322 -4.136 -13.683 1.00 0.39 C ATOM 459 OG SER A 29 16.346 -4.587 -12.320 1.00 0.37 O ATOM 0 H SER A 29 17.968 -2.621 -12.531 1.00 0.24 H new ATOM 0 HA SER A 29 16.204 -2.135 -14.565 1.00 0.25 H new ATOM 0 HB2 SER A 29 15.518 -4.612 -14.245 1.00 0.39 H new ATOM 0 HB3 SER A 29 17.254 -4.374 -14.196 1.00 0.39 H new ATOM 0 HG SER A 29 17.215 -4.373 -11.920 1.00 0.37 H new ATOM 465 N HIS A 30 14.455 -2.888 -11.929 1.00 0.17 N ATOM 466 CA HIS A 30 13.152 -2.735 -11.242 1.00 0.22 C ATOM 467 C HIS A 30 12.840 -1.273 -10.949 1.00 0.37 C ATOM 468 O HIS A 30 11.799 -0.822 -11.367 1.00 0.59 O ATOM 469 CB HIS A 30 13.242 -3.600 -9.997 1.00 0.26 C ATOM 470 CG HIS A 30 13.180 -5.026 -10.526 1.00 0.30 C ATOM 471 ND1 HIS A 30 14.077 -5.650 -11.222 1.00 2.45 N ATOM 472 CD2 HIS A 30 12.156 -5.926 -10.388 1.00 1.78 C ATOM 473 CE1 HIS A 30 13.641 -6.841 -11.495 1.00 1.91 C ATOM 474 NE2 HIS A 30 12.451 -7.054 -10.994 1.00 0.86 N ATOM 0 H HIS A 30 15.119 -3.491 -11.442 1.00 0.17 H new ATOM 0 HA HIS A 30 12.318 -3.061 -11.864 1.00 0.22 H new ATOM 0 HB2 HIS A 30 14.168 -3.418 -9.452 1.00 0.26 H new ATOM 0 HB3 HIS A 30 12.422 -3.395 -9.309 1.00 0.26 H new ATOM 0 HD1 HIS A 30 14.978 -5.268 -11.508 1.00 2.45 H new ATOM 0 HD2 HIS A 30 11.236 -5.735 -9.856 1.00 1.78 H new ATOM 0 HE1 HIS A 30 14.195 -7.570 -12.068 1.00 1.91 H new ATOM 482 N TYR A 31 13.692 -0.570 -10.248 1.00 0.25 N ATOM 483 CA TYR A 31 13.426 0.869 -9.952 1.00 0.36 C ATOM 484 C TYR A 31 12.954 1.595 -11.230 1.00 0.35 C ATOM 485 O TYR A 31 12.014 2.370 -11.218 1.00 0.30 O ATOM 486 CB TYR A 31 14.714 1.477 -9.438 1.00 0.57 C ATOM 487 CG TYR A 31 14.415 2.897 -8.969 1.00 0.60 C ATOM 488 CD1 TYR A 31 13.874 3.156 -7.724 1.00 1.71 C ATOM 489 CD2 TYR A 31 14.683 3.937 -9.820 1.00 2.91 C ATOM 490 CE1 TYR A 31 13.604 4.462 -7.349 1.00 1.68 C ATOM 491 CE2 TYR A 31 14.418 5.229 -9.447 1.00 2.94 C ATOM 492 CZ TYR A 31 13.882 5.492 -8.220 1.00 0.72 C ATOM 493 OH TYR A 31 13.635 6.799 -7.881 1.00 0.85 O ATOM 0 H TYR A 31 14.565 -0.933 -9.866 1.00 0.25 H new ATOM 0 HA TYR A 31 12.639 0.969 -9.205 1.00 0.36 H new ATOM 0 HB2 TYR A 31 15.115 0.882 -8.617 1.00 0.57 H new ATOM 0 HB3 TYR A 31 15.470 1.487 -10.223 1.00 0.57 H new ATOM 0 HD1 TYR A 31 13.662 2.343 -7.046 1.00 1.71 H new ATOM 0 HD2 TYR A 31 15.107 3.737 -10.793 1.00 2.91 H new ATOM 0 HE1 TYR A 31 13.178 4.671 -6.379 1.00 1.68 H new ATOM 0 HE2 TYR A 31 14.634 6.041 -10.126 1.00 2.94 H new ATOM 0 HH TYR A 31 13.897 7.384 -8.622 1.00 0.85 H new ATOM 503 N LYS A 32 13.649 1.313 -12.304 1.00 0.58 N ATOM 504 CA LYS A 32 13.322 1.926 -13.626 1.00 0.74 C ATOM 505 C LYS A 32 11.949 1.411 -14.110 1.00 0.73 C ATOM 506 O LYS A 32 11.070 2.186 -14.411 1.00 0.83 O ATOM 507 CB LYS A 32 14.451 1.536 -14.573 1.00 0.80 C ATOM 508 CG LYS A 32 15.752 2.190 -14.103 1.00 1.13 C ATOM 509 CD LYS A 32 15.717 3.664 -14.564 1.00 1.71 C ATOM 510 CE LYS A 32 16.657 4.493 -13.736 1.00 1.95 C ATOM 511 NZ LYS A 32 16.981 5.684 -14.558 1.00 3.54 N ATOM 0 H LYS A 32 14.443 0.673 -12.319 1.00 0.58 H new ATOM 0 HA LYS A 32 13.245 3.012 -13.572 1.00 0.74 H new ATOM 0 HB2 LYS A 32 14.563 0.452 -14.597 1.00 0.80 H new ATOM 0 HB3 LYS A 32 14.216 1.855 -15.589 1.00 0.80 H new ATOM 0 HG2 LYS A 32 15.843 2.128 -13.019 1.00 1.13 H new ATOM 0 HG3 LYS A 32 16.615 1.676 -14.525 1.00 1.13 H new ATOM 0 HD2 LYS A 32 15.994 3.730 -15.616 1.00 1.71 H new ATOM 0 HD3 LYS A 32 14.703 4.055 -14.477 1.00 1.71 H new ATOM 0 HE2 LYS A 32 16.194 4.784 -12.793 1.00 1.95 H new ATOM 0 HE3 LYS A 32 17.558 3.932 -13.489 1.00 1.95 H new ATOM 0 HZ1 LYS A 32 17.791 6.185 -14.139 1.00 3.54 H new ATOM 0 HZ2 LYS A 32 17.221 5.384 -15.524 1.00 3.54 H new ATOM 0 HZ3 LYS A 32 16.158 6.320 -14.588 1.00 3.54 H new ATOM 525 N GLN A 33 11.791 0.122 -14.185 1.00 0.62 N ATOM 526 CA GLN A 33 10.484 -0.479 -14.635 1.00 0.66 C ATOM 527 C GLN A 33 9.272 -0.028 -13.830 1.00 0.78 C ATOM 528 O GLN A 33 8.186 0.100 -14.364 1.00 1.43 O ATOM 529 CB GLN A 33 10.515 -1.997 -14.524 1.00 0.65 C ATOM 530 CG GLN A 33 11.406 -2.563 -15.599 1.00 1.11 C ATOM 531 CD GLN A 33 10.910 -2.162 -16.989 1.00 2.27 C ATOM 532 OE1 GLN A 33 11.652 -2.131 -17.933 1.00 4.59 O ATOM 533 NE2 GLN A 33 9.678 -1.833 -17.195 1.00 1.06 N ATOM 0 H GLN A 33 12.514 -0.559 -13.953 1.00 0.62 H new ATOM 0 HA GLN A 33 10.379 -0.133 -15.663 1.00 0.66 H new ATOM 0 HB2 GLN A 33 10.881 -2.293 -13.541 1.00 0.65 H new ATOM 0 HB3 GLN A 33 9.507 -2.400 -14.623 1.00 0.65 H new ATOM 0 HG2 GLN A 33 12.426 -2.206 -15.456 1.00 1.11 H new ATOM 0 HG3 GLN A 33 11.434 -3.650 -15.518 1.00 1.11 H new ATOM 0 HE21 GLN A 33 9.011 -1.844 -16.423 1.00 1.06 H new ATOM 0 HE22 GLN A 33 9.372 -1.562 -18.129 1.00 1.06 H new ATOM 542 N ALA A 34 9.547 0.154 -12.572 1.00 0.36 N ATOM 543 CA ALA A 34 8.576 0.590 -11.538 1.00 0.25 C ATOM 544 C ALA A 34 8.300 2.097 -11.567 1.00 0.24 C ATOM 545 O ALA A 34 7.172 2.485 -11.333 1.00 0.39 O ATOM 546 CB ALA A 34 9.157 0.167 -10.198 1.00 0.28 C ATOM 0 H ALA A 34 10.483 0.004 -12.195 1.00 0.36 H new ATOM 0 HA ALA A 34 7.608 0.125 -11.725 1.00 0.25 H new ATOM 0 HB1 ALA A 34 8.480 0.465 -9.398 1.00 0.28 H new ATOM 0 HB2 ALA A 34 9.284 -0.915 -10.182 1.00 0.28 H new ATOM 0 HB3 ALA A 34 10.124 0.648 -10.053 1.00 0.28 H new ATOM 552 N THR A 35 9.272 2.931 -11.851 1.00 0.09 N ATOM 553 CA THR A 35 8.993 4.420 -11.874 1.00 0.05 C ATOM 554 C THR A 35 8.882 4.904 -13.317 1.00 0.10 C ATOM 555 O THR A 35 8.005 5.690 -13.614 1.00 0.09 O ATOM 556 CB THR A 35 10.116 5.244 -11.204 1.00 0.09 C ATOM 557 OG1 THR A 35 11.315 4.913 -11.876 1.00 0.20 O ATOM 558 CG2 THR A 35 10.390 4.806 -9.784 1.00 0.18 C ATOM 0 H THR A 35 10.232 2.661 -12.065 1.00 0.09 H new ATOM 0 HA THR A 35 8.064 4.567 -11.323 1.00 0.05 H new ATOM 0 HB THR A 35 9.816 6.291 -11.235 1.00 0.09 H new ATOM 0 HG1 THR A 35 11.612 4.022 -11.596 1.00 0.20 H new ATOM 0 HG21 THR A 35 11.187 5.418 -9.362 1.00 0.18 H new ATOM 0 HG22 THR A 35 9.486 4.924 -9.186 1.00 0.18 H new ATOM 0 HG23 THR A 35 10.694 3.759 -9.778 1.00 0.18 H new ATOM 566 N VAL A 36 9.740 4.430 -14.185 1.00 0.20 N ATOM 567 CA VAL A 36 9.698 4.858 -15.629 1.00 0.22 C ATOM 568 C VAL A 36 8.858 3.889 -16.488 1.00 0.22 C ATOM 569 O VAL A 36 7.877 4.285 -17.085 1.00 0.31 O ATOM 570 CB VAL A 36 11.166 4.918 -16.270 1.00 0.35 C ATOM 571 CG1 VAL A 36 11.044 5.396 -17.763 1.00 0.47 C ATOM 572 CG2 VAL A 36 12.030 5.923 -15.499 1.00 0.34 C ATOM 0 H VAL A 36 10.475 3.760 -13.960 1.00 0.20 H new ATOM 0 HA VAL A 36 9.245 5.849 -15.631 1.00 0.22 H new ATOM 0 HB VAL A 36 11.626 3.931 -16.220 1.00 0.35 H new ATOM 0 HG11 VAL A 36 12.036 5.442 -18.213 1.00 0.47 H new ATOM 0 HG12 VAL A 36 10.425 4.693 -18.321 1.00 0.47 H new ATOM 0 HG13 VAL A 36 10.587 6.385 -17.792 1.00 0.47 H new ATOM 0 HG21 VAL A 36 13.026 5.959 -15.939 1.00 0.34 H new ATOM 0 HG22 VAL A 36 11.574 6.911 -15.552 1.00 0.34 H new ATOM 0 HG23 VAL A 36 12.105 5.614 -14.456 1.00 0.34 H new ATOM 582 N GLY A 37 9.238 2.645 -16.499 1.00 0.32 N ATOM 583 CA GLY A 37 8.566 1.550 -17.296 1.00 0.38 C ATOM 584 C GLY A 37 9.605 1.156 -18.352 1.00 0.33 C ATOM 585 O GLY A 37 10.648 0.643 -17.987 1.00 0.39 O ATOM 0 H GLY A 37 10.036 2.312 -15.958 1.00 0.32 H new ATOM 0 HA2 GLY A 37 8.301 0.703 -16.663 1.00 0.38 H new ATOM 0 HA3 GLY A 37 7.644 1.903 -17.758 1.00 0.38 H new ATOM 589 N ASP A 38 9.268 1.427 -19.589 1.00 0.44 N ATOM 590 CA ASP A 38 10.141 1.135 -20.776 1.00 0.44 C ATOM 591 C ASP A 38 11.536 1.804 -20.771 1.00 0.64 C ATOM 592 O ASP A 38 11.621 3.002 -20.558 1.00 1.53 O ATOM 593 CB ASP A 38 9.412 1.604 -22.092 1.00 0.56 C ATOM 594 CG ASP A 38 8.188 0.830 -22.554 1.00 0.91 C ATOM 595 OD1 ASP A 38 7.725 -0.010 -21.816 1.00 1.19 O ATOM 596 OD2 ASP A 38 7.804 1.150 -23.669 1.00 0.90 O ATOM 0 H ASP A 38 8.379 1.861 -19.838 1.00 0.44 H new ATOM 0 HA ASP A 38 10.306 0.059 -20.727 1.00 0.44 H new ATOM 0 HB2 ASP A 38 9.115 2.644 -21.955 1.00 0.56 H new ATOM 0 HB3 ASP A 38 10.142 1.585 -22.901 1.00 0.56 H new ATOM 601 N ILE A 39 12.587 1.045 -20.992 1.00 0.98 N ATOM 602 CA ILE A 39 13.947 1.692 -21.018 1.00 0.95 C ATOM 603 C ILE A 39 13.821 2.787 -22.106 1.00 1.09 C ATOM 604 O ILE A 39 13.262 2.543 -23.164 1.00 1.38 O ATOM 605 CB ILE A 39 14.977 0.571 -21.344 1.00 0.93 C ATOM 606 CG1 ILE A 39 16.408 1.152 -21.301 1.00 0.90 C ATOM 607 CG2 ILE A 39 14.688 -0.081 -22.720 1.00 1.01 C ATOM 608 CD1 ILE A 39 17.401 -0.009 -21.132 1.00 0.84 C ATOM 0 H ILE A 39 12.569 0.038 -21.151 1.00 0.98 H new ATOM 0 HA ILE A 39 14.282 2.152 -20.088 1.00 0.95 H new ATOM 0 HB ILE A 39 14.887 -0.211 -20.590 1.00 0.93 H new ATOM 0 HG12 ILE A 39 16.621 1.702 -22.217 1.00 0.90 H new ATOM 0 HG13 ILE A 39 16.506 1.857 -20.476 1.00 0.90 H new ATOM 0 HG21 ILE A 39 15.426 -0.859 -22.916 1.00 1.01 H new ATOM 0 HG22 ILE A 39 13.690 -0.520 -22.712 1.00 1.01 H new ATOM 0 HG23 ILE A 39 14.744 0.677 -23.501 1.00 1.01 H new ATOM 0 HD11 ILE A 39 18.417 0.383 -21.100 1.00 0.84 H new ATOM 0 HD12 ILE A 39 17.187 -0.539 -20.204 1.00 0.84 H new ATOM 0 HD13 ILE A 39 17.304 -0.696 -21.973 1.00 0.84 H new ATOM 620 N ASN A 40 14.324 3.966 -21.852 1.00 1.09 N ATOM 621 CA ASN A 40 14.197 5.050 -22.887 1.00 1.59 C ATOM 622 C ASN A 40 15.510 5.831 -23.155 1.00 1.81 C ATOM 623 O ASN A 40 15.534 6.916 -23.703 1.00 2.57 O ATOM 624 CB ASN A 40 13.022 5.876 -22.327 1.00 1.78 C ATOM 625 CG ASN A 40 12.779 7.158 -23.088 1.00 3.52 C ATOM 626 OD1 ASN A 40 12.607 7.210 -24.284 1.00 5.58 O ATOM 627 ND2 ASN A 40 12.749 8.252 -22.401 1.00 3.52 N ATOM 0 H ASN A 40 14.809 4.228 -20.994 1.00 1.09 H new ATOM 0 HA ASN A 40 14.003 4.684 -23.895 1.00 1.59 H new ATOM 0 HB2 ASN A 40 12.116 5.270 -22.351 1.00 1.78 H new ATOM 0 HB3 ASN A 40 13.219 6.114 -21.282 1.00 1.78 H new ATOM 0 HD21 ASN A 40 12.582 9.143 -22.868 1.00 3.52 H new ATOM 0 HD22 ASN A 40 12.892 8.224 -21.391 1.00 3.52 H new ATOM 634 N THR A 41 16.576 5.216 -22.729 1.00 1.18 N ATOM 635 CA THR A 41 17.957 5.783 -22.894 1.00 1.37 C ATOM 636 C THR A 41 18.648 4.931 -23.982 1.00 1.47 C ATOM 637 O THR A 41 18.210 3.821 -24.221 1.00 1.29 O ATOM 638 CB THR A 41 18.728 5.646 -21.551 1.00 1.35 C ATOM 639 OG1 THR A 41 18.939 4.245 -21.479 1.00 1.26 O ATOM 640 CG2 THR A 41 17.828 5.817 -20.291 1.00 1.14 C ATOM 0 H THR A 41 16.553 4.312 -22.256 1.00 1.18 H new ATOM 0 HA THR A 41 17.932 6.836 -23.173 1.00 1.37 H new ATOM 0 HB THR A 41 19.557 6.354 -21.547 1.00 1.35 H new ATOM 0 HG1 THR A 41 19.428 4.030 -20.658 1.00 1.26 H new ATOM 0 HG21 THR A 41 18.435 5.708 -19.393 1.00 1.14 H new ATOM 0 HG22 THR A 41 17.370 6.806 -20.302 1.00 1.14 H new ATOM 0 HG23 THR A 41 17.048 5.056 -20.295 1.00 1.14 H new ATOM 648 N GLU A 42 19.687 5.398 -24.624 1.00 2.13 N ATOM 649 CA GLU A 42 20.310 4.511 -25.666 1.00 2.37 C ATOM 650 C GLU A 42 21.410 3.617 -25.090 1.00 2.23 C ATOM 651 O GLU A 42 22.093 3.964 -24.146 1.00 2.36 O ATOM 652 CB GLU A 42 20.860 5.412 -26.794 1.00 3.24 C ATOM 653 CG GLU A 42 19.614 5.820 -27.615 1.00 6.17 C ATOM 654 CD GLU A 42 19.958 6.649 -28.857 1.00 7.43 C ATOM 655 OE1 GLU A 42 20.530 7.712 -28.684 1.00 6.75 O ATOM 656 OE2 GLU A 42 19.615 6.152 -29.918 1.00 9.05 O ATOM 0 H GLU A 42 20.120 6.311 -24.486 1.00 2.13 H new ATOM 0 HA GLU A 42 19.550 3.834 -26.056 1.00 2.37 H new ATOM 0 HB2 GLU A 42 21.371 6.286 -26.389 1.00 3.24 H new ATOM 0 HB3 GLU A 42 21.583 4.878 -27.411 1.00 3.24 H new ATOM 0 HG2 GLU A 42 19.078 4.922 -27.922 1.00 6.17 H new ATOM 0 HG3 GLU A 42 18.939 6.392 -26.979 1.00 6.17 H new ATOM 663 N ARG A 43 21.534 2.469 -25.696 1.00 2.35 N ATOM 664 CA ARG A 43 22.560 1.457 -25.253 1.00 2.12 C ATOM 665 C ARG A 43 24.009 2.020 -25.048 1.00 2.05 C ATOM 666 O ARG A 43 24.661 2.325 -26.029 1.00 2.05 O ATOM 667 CB ARG A 43 22.575 0.314 -26.295 1.00 1.95 C ATOM 668 CG ARG A 43 23.380 -0.872 -25.687 1.00 1.60 C ATOM 669 CD ARG A 43 23.386 -2.020 -26.680 1.00 1.44 C ATOM 670 NE ARG A 43 24.248 -3.083 -26.060 1.00 1.11 N ATOM 671 CZ ARG A 43 23.821 -4.269 -25.840 1.00 0.79 C ATOM 672 NH1 ARG A 43 23.816 -5.084 -26.807 1.00 2.70 N ATOM 673 NH2 ARG A 43 23.429 -4.571 -24.678 1.00 1.78 N ATOM 0 H ARG A 43 20.965 2.177 -26.490 1.00 2.35 H new ATOM 0 HA ARG A 43 22.260 1.112 -24.263 1.00 2.12 H new ATOM 0 HB2 ARG A 43 21.558 0.003 -26.535 1.00 1.95 H new ATOM 0 HB3 ARG A 43 23.034 0.650 -27.225 1.00 1.95 H new ATOM 0 HG2 ARG A 43 24.401 -0.560 -25.464 1.00 1.60 H new ATOM 0 HG3 ARG A 43 22.931 -1.190 -24.746 1.00 1.60 H new ATOM 0 HD2 ARG A 43 22.376 -2.389 -26.859 1.00 1.44 H new ATOM 0 HD3 ARG A 43 23.785 -1.703 -27.643 1.00 1.44 H new ATOM 0 HE ARG A 43 25.208 -2.851 -25.805 1.00 1.11 H new ATOM 0 HH11 ARG A 43 24.146 -4.787 -27.726 1.00 2.70 H new ATOM 0 HH12 ARG A 43 23.482 -6.038 -26.668 1.00 2.70 H new ATOM 0 HH21 ARG A 43 23.456 -3.874 -23.934 1.00 1.78 H new ATOM 0 HH22 ARG A 43 23.085 -5.512 -24.484 1.00 1.78 H new ATOM 687 N PRO A 44 24.465 2.146 -23.806 1.00 2.07 N ATOM 688 CA PRO A 44 25.834 2.671 -23.462 1.00 2.01 C ATOM 689 C PRO A 44 27.028 2.217 -24.351 1.00 2.20 C ATOM 690 O PRO A 44 26.999 1.179 -24.986 1.00 2.51 O ATOM 691 CB PRO A 44 25.973 2.286 -21.959 1.00 2.07 C ATOM 692 CG PRO A 44 24.518 2.495 -21.471 1.00 2.24 C ATOM 693 CD PRO A 44 23.697 1.794 -22.573 1.00 2.27 C ATOM 0 HA PRO A 44 25.897 3.741 -23.661 1.00 2.01 H new ATOM 0 HB2 PRO A 44 26.310 1.258 -21.825 1.00 2.07 H new ATOM 0 HB3 PRO A 44 26.682 2.925 -21.432 1.00 2.07 H new ATOM 0 HG2 PRO A 44 24.349 2.047 -20.492 1.00 2.24 H new ATOM 0 HG3 PRO A 44 24.266 3.552 -21.386 1.00 2.24 H new ATOM 0 HD2 PRO A 44 23.645 0.716 -22.419 1.00 2.27 H new ATOM 0 HD3 PRO A 44 22.671 2.161 -22.613 1.00 2.27 H new ATOM 701 N GLY A 45 28.081 2.994 -24.340 1.00 2.07 N ATOM 702 CA GLY A 45 29.294 2.655 -25.180 1.00 2.36 C ATOM 703 C GLY A 45 30.520 2.049 -24.469 1.00 2.36 C ATOM 704 O GLY A 45 30.390 1.162 -23.645 1.00 2.55 O ATOM 0 H GLY A 45 28.163 3.849 -23.790 1.00 2.07 H new ATOM 0 HA2 GLY A 45 28.979 1.957 -25.955 1.00 2.36 H new ATOM 0 HA3 GLY A 45 29.617 3.566 -25.684 1.00 2.36 H new ATOM 708 N MET A 46 31.655 2.579 -24.877 1.00 3.11 N ATOM 709 CA MET A 46 33.061 2.239 -24.411 1.00 3.35 C ATOM 710 C MET A 46 33.365 1.953 -22.902 1.00 2.93 C ATOM 711 O MET A 46 34.279 2.494 -22.314 1.00 3.11 O ATOM 712 CB MET A 46 33.971 3.397 -24.919 1.00 4.55 C ATOM 713 CG MET A 46 33.577 4.737 -24.252 1.00 2.98 C ATOM 714 SD MET A 46 34.623 6.160 -24.654 1.00 3.12 S ATOM 715 CE MET A 46 35.902 5.889 -23.398 1.00 4.22 C ATOM 0 H MET A 46 31.664 3.310 -25.589 1.00 3.11 H new ATOM 0 HA MET A 46 33.246 1.249 -24.829 1.00 3.35 H new ATOM 0 HB2 MET A 46 35.014 3.169 -24.700 1.00 4.55 H new ATOM 0 HB3 MET A 46 33.885 3.485 -26.002 1.00 4.55 H new ATOM 0 HG2 MET A 46 32.551 4.973 -24.535 1.00 2.98 H new ATOM 0 HG3 MET A 46 33.586 4.599 -23.171 1.00 2.98 H new ATOM 0 HE1 MET A 46 36.658 6.671 -23.474 1.00 4.22 H new ATOM 0 HE2 MET A 46 35.450 5.917 -22.407 1.00 4.22 H new ATOM 0 HE3 MET A 46 36.368 4.917 -23.557 1.00 4.22 H new ATOM 725 N LEU A 47 32.597 1.098 -22.320 1.00 3.06 N ATOM 726 CA LEU A 47 32.728 0.687 -20.871 1.00 2.71 C ATOM 727 C LEU A 47 32.413 -0.804 -20.704 1.00 1.90 C ATOM 728 O LEU A 47 33.008 -1.505 -19.908 1.00 1.19 O ATOM 729 CB LEU A 47 31.730 1.464 -19.973 1.00 3.18 C ATOM 730 CG LEU A 47 31.980 2.984 -20.027 1.00 4.59 C ATOM 731 CD1 LEU A 47 30.883 3.669 -19.206 1.00 6.13 C ATOM 732 CD2 LEU A 47 33.344 3.320 -19.384 1.00 2.96 C ATOM 0 H LEU A 47 31.831 0.628 -22.803 1.00 3.06 H new ATOM 0 HA LEU A 47 33.754 0.906 -20.574 1.00 2.71 H new ATOM 0 HB2 LEU A 47 30.710 1.251 -20.293 1.00 3.18 H new ATOM 0 HB3 LEU A 47 31.820 1.117 -18.944 1.00 3.18 H new ATOM 0 HG LEU A 47 31.975 3.322 -21.063 1.00 4.59 H new ATOM 0 HD11 LEU A 47 31.034 4.748 -19.226 1.00 6.13 H new ATOM 0 HD12 LEU A 47 29.908 3.431 -19.631 1.00 6.13 H new ATOM 0 HD13 LEU A 47 30.925 3.316 -18.176 1.00 6.13 H new ATOM 0 HD21 LEU A 47 33.511 4.396 -19.427 1.00 2.96 H new ATOM 0 HD22 LEU A 47 33.346 2.994 -18.344 1.00 2.96 H new ATOM 0 HD23 LEU A 47 34.138 2.807 -19.927 1.00 2.96 H new ATOM 744 N ASP A 48 31.430 -1.183 -21.486 1.00 2.47 N ATOM 745 CA ASP A 48 30.873 -2.550 -21.567 1.00 2.18 C ATOM 746 C ASP A 48 30.066 -2.802 -20.284 1.00 1.80 C ATOM 747 O ASP A 48 28.919 -2.406 -20.221 1.00 1.85 O ATOM 748 CB ASP A 48 32.055 -3.570 -21.769 1.00 1.89 C ATOM 749 CG ASP A 48 31.453 -4.960 -21.913 1.00 2.99 C ATOM 750 OD1 ASP A 48 30.664 -5.086 -22.839 1.00 2.47 O ATOM 751 OD2 ASP A 48 31.815 -5.780 -21.094 1.00 5.18 O ATOM 0 H ASP A 48 30.963 -0.533 -22.118 1.00 2.47 H new ATOM 0 HA ASP A 48 30.201 -2.676 -22.416 1.00 2.18 H new ATOM 0 HB2 ASP A 48 32.635 -3.312 -22.655 1.00 1.89 H new ATOM 0 HB3 ASP A 48 32.738 -3.536 -20.920 1.00 1.89 H new ATOM 756 N PHE A 49 30.726 -3.418 -19.339 1.00 1.71 N ATOM 757 CA PHE A 49 30.234 -3.818 -17.977 1.00 1.56 C ATOM 758 C PHE A 49 28.904 -3.164 -17.421 1.00 1.59 C ATOM 759 O PHE A 49 27.877 -3.133 -18.071 1.00 2.72 O ATOM 760 CB PHE A 49 31.508 -3.573 -17.057 1.00 2.07 C ATOM 761 CG PHE A 49 31.489 -2.184 -16.404 1.00 2.66 C ATOM 762 CD1 PHE A 49 31.112 -1.046 -17.085 1.00 3.90 C ATOM 763 CD2 PHE A 49 31.781 -2.102 -15.063 1.00 2.71 C ATOM 764 CE1 PHE A 49 31.019 0.158 -16.432 1.00 4.84 C ATOM 765 CE2 PHE A 49 31.694 -0.906 -14.409 1.00 3.13 C ATOM 766 CZ PHE A 49 31.306 0.218 -15.088 1.00 4.21 C ATOM 0 H PHE A 49 31.699 -3.690 -19.477 1.00 1.71 H new ATOM 0 HA PHE A 49 29.878 -4.848 -18.006 1.00 1.56 H new ATOM 0 HB2 PHE A 49 31.547 -4.338 -16.281 1.00 2.07 H new ATOM 0 HB3 PHE A 49 32.413 -3.680 -17.655 1.00 2.07 H new ATOM 0 HD1 PHE A 49 30.888 -1.102 -18.140 1.00 3.90 H new ATOM 0 HD2 PHE A 49 32.081 -2.988 -14.524 1.00 2.71 H new ATOM 0 HE1 PHE A 49 30.724 1.048 -16.968 1.00 4.84 H new ATOM 0 HE2 PHE A 49 31.931 -0.847 -13.357 1.00 3.13 H new ATOM 0 HZ PHE A 49 31.225 1.159 -14.564 1.00 4.21 H new ATOM 776 N LYS A 50 28.946 -2.677 -16.205 1.00 0.81 N ATOM 777 CA LYS A 50 27.787 -2.029 -15.548 1.00 1.39 C ATOM 778 C LYS A 50 26.934 -1.221 -16.519 1.00 1.64 C ATOM 779 O LYS A 50 25.729 -1.323 -16.514 1.00 3.04 O ATOM 780 CB LYS A 50 28.333 -1.140 -14.386 1.00 1.49 C ATOM 781 CG LYS A 50 29.055 -1.957 -13.244 1.00 2.31 C ATOM 782 CD LYS A 50 29.383 -0.975 -12.079 1.00 2.33 C ATOM 783 CE LYS A 50 29.653 -1.673 -10.733 1.00 2.94 C ATOM 784 NZ LYS A 50 30.370 -2.952 -10.971 1.00 4.53 N ATOM 0 H LYS A 50 29.782 -2.709 -15.621 1.00 0.81 H new ATOM 0 HA LYS A 50 27.122 -2.799 -15.157 1.00 1.39 H new ATOM 0 HB2 LYS A 50 29.032 -0.411 -14.796 1.00 1.49 H new ATOM 0 HB3 LYS A 50 27.506 -0.579 -13.951 1.00 1.49 H new ATOM 0 HG2 LYS A 50 28.415 -2.765 -12.891 1.00 2.31 H new ATOM 0 HG3 LYS A 50 29.968 -2.416 -13.623 1.00 2.31 H new ATOM 0 HD2 LYS A 50 30.256 -0.382 -12.351 1.00 2.33 H new ATOM 0 HD3 LYS A 50 28.552 -0.281 -11.957 1.00 2.33 H new ATOM 0 HE2 LYS A 50 30.248 -1.025 -10.089 1.00 2.94 H new ATOM 0 HE3 LYS A 50 28.713 -1.862 -10.215 1.00 2.94 H new ATOM 0 HZ1 LYS A 50 30.730 -3.321 -10.068 1.00 4.53 H new ATOM 0 HZ2 LYS A 50 29.717 -3.643 -11.392 1.00 4.53 H new ATOM 0 HZ3 LYS A 50 31.166 -2.788 -11.620 1.00 4.53 H new ATOM 798 N GLY A 51 27.586 -0.445 -17.329 1.00 0.41 N ATOM 799 CA GLY A 51 26.871 0.413 -18.357 1.00 0.40 C ATOM 800 C GLY A 51 25.797 -0.365 -19.168 1.00 0.48 C ATOM 801 O GLY A 51 24.619 -0.068 -19.062 1.00 0.62 O ATOM 0 H GLY A 51 28.602 -0.354 -17.337 1.00 0.41 H new ATOM 0 HA2 GLY A 51 26.396 1.254 -17.851 1.00 0.40 H new ATOM 0 HA3 GLY A 51 27.605 0.830 -19.046 1.00 0.40 H new ATOM 805 N LYS A 52 26.248 -1.329 -19.942 1.00 0.40 N ATOM 806 CA LYS A 52 25.322 -2.158 -20.777 1.00 0.54 C ATOM 807 C LYS A 52 24.594 -3.198 -19.943 1.00 0.62 C ATOM 808 O LYS A 52 23.457 -3.466 -20.210 1.00 0.98 O ATOM 809 CB LYS A 52 26.140 -2.858 -21.880 1.00 0.58 C ATOM 810 CG LYS A 52 26.395 -1.837 -23.017 1.00 0.72 C ATOM 811 CD LYS A 52 27.875 -1.859 -23.450 1.00 1.20 C ATOM 812 CE LYS A 52 28.296 -3.013 -24.430 1.00 0.49 C ATOM 813 NZ LYS A 52 28.210 -4.368 -23.798 1.00 3.23 N ATOM 0 H LYS A 52 27.233 -1.577 -20.029 1.00 0.40 H new ATOM 0 HA LYS A 52 24.571 -1.502 -21.216 1.00 0.54 H new ATOM 0 HB2 LYS A 52 27.085 -3.223 -21.478 1.00 0.58 H new ATOM 0 HB3 LYS A 52 25.600 -3.724 -22.262 1.00 0.58 H new ATOM 0 HG2 LYS A 52 25.758 -2.070 -23.870 1.00 0.72 H new ATOM 0 HG3 LYS A 52 26.124 -0.836 -22.681 1.00 0.72 H new ATOM 0 HD2 LYS A 52 28.107 -0.905 -23.924 1.00 1.20 H new ATOM 0 HD3 LYS A 52 28.493 -1.928 -22.555 1.00 1.20 H new ATOM 0 HE2 LYS A 52 27.656 -2.987 -25.312 1.00 0.49 H new ATOM 0 HE3 LYS A 52 29.317 -2.840 -24.771 1.00 0.49 H new ATOM 0 HZ1 LYS A 52 28.298 -5.100 -24.532 1.00 3.23 H new ATOM 0 HZ2 LYS A 52 28.978 -4.477 -23.106 1.00 3.23 H new ATOM 0 HZ3 LYS A 52 27.293 -4.469 -23.317 1.00 3.23 H new ATOM 827 N ALA A 53 25.215 -3.739 -18.938 1.00 0.37 N ATOM 828 CA ALA A 53 24.523 -4.763 -18.124 1.00 0.42 C ATOM 829 C ALA A 53 23.305 -4.111 -17.443 1.00 0.45 C ATOM 830 O ALA A 53 22.223 -4.657 -17.500 1.00 0.32 O ATOM 831 CB ALA A 53 25.525 -5.303 -17.100 1.00 0.45 C ATOM 0 H ALA A 53 26.167 -3.517 -18.648 1.00 0.37 H new ATOM 0 HA ALA A 53 24.163 -5.592 -18.734 1.00 0.42 H new ATOM 0 HB1 ALA A 53 25.042 -6.062 -16.484 1.00 0.45 H new ATOM 0 HB2 ALA A 53 26.375 -5.745 -17.620 1.00 0.45 H new ATOM 0 HB3 ALA A 53 25.872 -4.487 -16.466 1.00 0.45 H new ATOM 837 N LYS A 54 23.482 -2.961 -16.828 1.00 0.67 N ATOM 838 CA LYS A 54 22.305 -2.338 -16.178 1.00 0.70 C ATOM 839 C LYS A 54 21.386 -1.813 -17.282 1.00 0.85 C ATOM 840 O LYS A 54 20.241 -1.509 -17.009 1.00 0.97 O ATOM 841 CB LYS A 54 22.797 -1.212 -15.257 1.00 0.71 C ATOM 842 CG LYS A 54 22.919 0.163 -15.971 1.00 0.99 C ATOM 843 CD LYS A 54 23.764 1.038 -15.040 1.00 0.99 C ATOM 844 CE LYS A 54 23.578 2.587 -15.299 1.00 1.82 C ATOM 845 NZ LYS A 54 22.287 3.087 -14.705 1.00 1.22 N ATOM 0 H LYS A 54 24.362 -2.450 -16.754 1.00 0.67 H new ATOM 0 HA LYS A 54 21.747 -3.050 -15.569 1.00 0.70 H new ATOM 0 HB2 LYS A 54 22.111 -1.116 -14.415 1.00 0.71 H new ATOM 0 HB3 LYS A 54 23.769 -1.487 -14.847 1.00 0.71 H new ATOM 0 HG2 LYS A 54 23.393 0.057 -16.947 1.00 0.99 H new ATOM 0 HG3 LYS A 54 21.937 0.605 -16.140 1.00 0.99 H new ATOM 0 HD2 LYS A 54 23.501 0.815 -14.006 1.00 0.99 H new ATOM 0 HD3 LYS A 54 24.816 0.779 -15.165 1.00 0.99 H new ATOM 0 HE2 LYS A 54 24.416 3.134 -14.867 1.00 1.82 H new ATOM 0 HE3 LYS A 54 23.588 2.783 -16.371 1.00 1.82 H new ATOM 0 HZ1 LYS A 54 22.254 4.124 -14.770 1.00 1.22 H new ATOM 0 HZ2 LYS A 54 21.484 2.682 -15.228 1.00 1.22 H new ATOM 0 HZ3 LYS A 54 22.230 2.801 -13.707 1.00 1.22 H new ATOM 859 N TRP A 55 21.846 -1.684 -18.500 1.00 0.86 N ATOM 860 CA TRP A 55 20.920 -1.175 -19.564 1.00 0.85 C ATOM 861 C TRP A 55 20.113 -2.443 -19.842 1.00 0.56 C ATOM 862 O TRP A 55 18.930 -2.509 -19.588 1.00 0.41 O ATOM 863 CB TRP A 55 21.776 -0.731 -20.760 1.00 1.03 C ATOM 864 CG TRP A 55 20.904 0.162 -21.620 1.00 1.03 C ATOM 865 CD1 TRP A 55 20.575 1.426 -21.264 1.00 1.05 C ATOM 866 CD2 TRP A 55 20.323 -0.147 -22.795 1.00 1.00 C ATOM 867 NE1 TRP A 55 19.804 1.808 -22.259 1.00 1.05 N ATOM 868 CE2 TRP A 55 19.582 0.942 -23.237 1.00 1.04 C ATOM 869 CE3 TRP A 55 20.362 -1.317 -23.550 1.00 0.96 C ATOM 870 CZ2 TRP A 55 18.884 0.853 -24.437 1.00 1.09 C ATOM 871 CZ3 TRP A 55 19.665 -1.403 -24.746 1.00 0.98 C ATOM 872 CH2 TRP A 55 18.923 -0.317 -25.193 1.00 1.06 C ATOM 0 H TRP A 55 22.796 -1.901 -18.802 1.00 0.86 H new ATOM 0 HA TRP A 55 20.291 -0.319 -19.320 1.00 0.85 H new ATOM 0 HB2 TRP A 55 22.663 -0.195 -20.422 1.00 1.03 H new ATOM 0 HB3 TRP A 55 22.123 -1.594 -21.328 1.00 1.03 H new ATOM 0 HD1 TRP A 55 20.871 1.980 -20.386 1.00 1.05 H new ATOM 0 HE1 TRP A 55 19.391 2.740 -22.277 1.00 1.05 H new ATOM 0 HE3 TRP A 55 20.938 -2.162 -23.202 1.00 0.96 H new ATOM 0 HZ2 TRP A 55 18.307 1.697 -24.785 1.00 1.09 H new ATOM 0 HZ3 TRP A 55 19.699 -2.312 -25.328 1.00 0.98 H new ATOM 0 HH2 TRP A 55 18.378 -0.379 -26.123 1.00 1.06 H new ATOM 883 N ASP A 56 20.789 -3.417 -20.378 1.00 0.74 N ATOM 884 CA ASP A 56 20.252 -4.763 -20.719 1.00 0.48 C ATOM 885 C ASP A 56 19.252 -5.195 -19.620 1.00 0.42 C ATOM 886 O ASP A 56 18.092 -5.444 -19.867 1.00 0.35 O ATOM 887 CB ASP A 56 21.580 -5.563 -20.854 1.00 0.45 C ATOM 888 CG ASP A 56 22.397 -5.096 -22.058 1.00 0.52 C ATOM 889 OD1 ASP A 56 22.197 -3.995 -22.554 1.00 1.17 O ATOM 890 OD2 ASP A 56 23.240 -5.868 -22.462 1.00 2.16 O ATOM 0 H ASP A 56 21.777 -3.321 -20.612 1.00 0.74 H new ATOM 0 HA ASP A 56 19.651 -4.880 -21.621 1.00 0.48 H new ATOM 0 HB2 ASP A 56 22.170 -5.446 -19.945 1.00 0.45 H new ATOM 0 HB3 ASP A 56 21.357 -6.625 -20.954 1.00 0.45 H new ATOM 895 N ALA A 57 19.759 -5.257 -18.418 1.00 0.43 N ATOM 896 CA ALA A 57 18.975 -5.641 -17.197 1.00 0.39 C ATOM 897 C ALA A 57 17.618 -4.908 -17.099 1.00 0.34 C ATOM 898 O ALA A 57 16.666 -5.398 -16.523 1.00 0.31 O ATOM 899 CB ALA A 57 19.826 -5.325 -15.971 1.00 0.41 C ATOM 0 H ALA A 57 20.737 -5.046 -18.220 1.00 0.43 H new ATOM 0 HA ALA A 57 18.746 -6.705 -17.258 1.00 0.39 H new ATOM 0 HB1 ALA A 57 19.278 -5.595 -15.068 1.00 0.41 H new ATOM 0 HB2 ALA A 57 20.754 -5.894 -16.016 1.00 0.41 H new ATOM 0 HB3 ALA A 57 20.054 -4.259 -15.951 1.00 0.41 H new ATOM 905 N TRP A 58 17.575 -3.728 -17.659 1.00 0.34 N ATOM 906 CA TRP A 58 16.323 -2.919 -17.649 1.00 0.33 C ATOM 907 C TRP A 58 15.642 -3.158 -19.010 1.00 0.34 C ATOM 908 O TRP A 58 14.450 -3.380 -19.054 1.00 0.40 O ATOM 909 CB TRP A 58 16.637 -1.393 -17.461 1.00 0.31 C ATOM 910 CG TRP A 58 15.294 -0.604 -17.493 1.00 0.28 C ATOM 911 CD1 TRP A 58 14.058 -1.151 -17.313 1.00 0.32 C ATOM 912 CD2 TRP A 58 15.131 0.721 -17.714 1.00 0.42 C ATOM 913 NE1 TRP A 58 13.240 -0.123 -17.441 1.00 0.38 N ATOM 914 CE2 TRP A 58 13.783 1.047 -17.680 1.00 0.47 C ATOM 915 CE3 TRP A 58 16.062 1.715 -17.937 1.00 0.64 C ATOM 916 CZ2 TRP A 58 13.345 2.356 -17.866 1.00 0.69 C ATOM 917 CZ3 TRP A 58 15.645 3.037 -18.126 1.00 0.86 C ATOM 918 CH2 TRP A 58 14.288 3.364 -18.090 1.00 0.88 C ATOM 0 H TRP A 58 18.365 -3.286 -18.129 1.00 0.34 H new ATOM 0 HA TRP A 58 15.680 -3.214 -16.820 1.00 0.33 H new ATOM 0 HB2 TRP A 58 17.152 -1.226 -16.515 1.00 0.31 H new ATOM 0 HB3 TRP A 58 17.301 -1.043 -18.251 1.00 0.31 H new ATOM 0 HD1 TRP A 58 13.807 -2.182 -17.113 1.00 0.32 H new ATOM 0 HE1 TRP A 58 12.229 -0.234 -17.358 1.00 0.38 H new ATOM 0 HE3 TRP A 58 17.114 1.472 -17.966 1.00 0.64 H new ATOM 0 HZ2 TRP A 58 12.291 2.589 -17.838 1.00 0.69 H new ATOM 0 HZ3 TRP A 58 16.378 3.810 -18.301 1.00 0.86 H new ATOM 0 HH2 TRP A 58 13.970 4.386 -18.234 1.00 0.88 H new ATOM 929 N ASN A 59 16.338 -3.156 -20.122 1.00 0.27 N ATOM 930 CA ASN A 59 15.629 -3.390 -21.428 1.00 0.03 C ATOM 931 C ASN A 59 14.875 -4.736 -21.322 1.00 0.13 C ATOM 932 O ASN A 59 13.761 -4.837 -21.787 1.00 0.10 O ATOM 933 CB ASN A 59 16.689 -3.412 -22.578 1.00 0.42 C ATOM 934 CG ASN A 59 16.032 -3.448 -23.969 1.00 0.74 C ATOM 935 OD1 ASN A 59 14.945 -2.968 -24.212 1.00 0.85 O ATOM 936 ND2 ASN A 59 16.678 -4.009 -24.938 1.00 1.06 N ATOM 0 H ASN A 59 17.345 -3.006 -20.187 1.00 0.27 H new ATOM 0 HA ASN A 59 14.911 -2.599 -21.647 1.00 0.03 H new ATOM 0 HB2 ASN A 59 17.326 -2.531 -22.501 1.00 0.42 H new ATOM 0 HB3 ASN A 59 17.334 -4.283 -22.459 1.00 0.42 H new ATOM 0 HD21 ASN A 59 16.271 -4.038 -25.873 1.00 1.06 H new ATOM 0 HD22 ASN A 59 17.595 -4.422 -24.768 1.00 1.06 H new ATOM 943 N GLU A 60 15.466 -5.727 -20.707 1.00 0.24 N ATOM 944 CA GLU A 60 14.784 -7.059 -20.570 1.00 0.38 C ATOM 945 C GLU A 60 13.458 -7.045 -19.818 1.00 0.41 C ATOM 946 O GLU A 60 12.709 -8.000 -19.844 1.00 0.50 O ATOM 947 CB GLU A 60 15.768 -8.026 -19.875 1.00 0.76 C ATOM 948 CG GLU A 60 16.866 -8.409 -20.892 1.00 2.51 C ATOM 949 CD GLU A 60 16.259 -9.072 -22.142 1.00 4.51 C ATOM 950 OE1 GLU A 60 15.739 -10.162 -21.991 1.00 4.74 O ATOM 951 OE2 GLU A 60 16.351 -8.436 -23.176 1.00 6.55 O ATOM 0 H GLU A 60 16.396 -5.676 -20.290 1.00 0.24 H new ATOM 0 HA GLU A 60 14.522 -7.378 -21.579 1.00 0.38 H new ATOM 0 HB2 GLU A 60 16.210 -7.553 -18.998 1.00 0.76 H new ATOM 0 HB3 GLU A 60 15.244 -8.916 -19.527 1.00 0.76 H new ATOM 0 HG2 GLU A 60 17.422 -7.518 -21.183 1.00 2.51 H new ATOM 0 HG3 GLU A 60 17.577 -9.090 -20.425 1.00 2.51 H new ATOM 958 N LEU A 61 13.186 -5.967 -19.156 1.00 0.44 N ATOM 959 CA LEU A 61 11.925 -5.815 -18.382 1.00 0.67 C ATOM 960 C LEU A 61 11.107 -4.667 -18.990 1.00 0.74 C ATOM 961 O LEU A 61 9.966 -4.446 -18.632 1.00 1.15 O ATOM 962 CB LEU A 61 12.236 -5.430 -16.938 1.00 0.73 C ATOM 963 CG LEU A 61 13.308 -6.263 -16.245 1.00 0.74 C ATOM 964 CD1 LEU A 61 13.303 -5.781 -14.780 1.00 0.77 C ATOM 965 CD2 LEU A 61 12.917 -7.731 -16.310 1.00 0.73 C ATOM 0 H LEU A 61 13.803 -5.156 -19.115 1.00 0.44 H new ATOM 0 HA LEU A 61 11.380 -6.758 -18.413 1.00 0.67 H new ATOM 0 HB2 LEU A 61 12.546 -4.385 -16.919 1.00 0.73 H new ATOM 0 HB3 LEU A 61 11.316 -5.500 -16.357 1.00 0.73 H new ATOM 0 HG LEU A 61 14.290 -6.155 -16.706 1.00 0.74 H new ATOM 0 HD11 LEU A 61 14.051 -6.335 -14.212 1.00 0.77 H new ATOM 0 HD12 LEU A 61 13.536 -4.717 -14.746 1.00 0.77 H new ATOM 0 HD13 LEU A 61 12.318 -5.950 -14.345 1.00 0.77 H new ATOM 0 HD21 LEU A 61 13.680 -8.333 -15.816 1.00 0.73 H new ATOM 0 HD22 LEU A 61 11.960 -7.875 -15.809 1.00 0.73 H new ATOM 0 HD23 LEU A 61 12.831 -8.039 -17.352 1.00 0.73 H new ATOM 977 N LYS A 62 11.709 -3.981 -19.913 1.00 0.59 N ATOM 978 CA LYS A 62 11.089 -2.819 -20.591 1.00 0.68 C ATOM 979 C LYS A 62 9.600 -2.567 -20.524 1.00 0.96 C ATOM 980 O LYS A 62 9.171 -1.570 -19.981 1.00 1.89 O ATOM 981 CB LYS A 62 11.555 -2.885 -22.065 1.00 0.69 C ATOM 982 CG LYS A 62 11.066 -1.634 -22.833 1.00 0.78 C ATOM 983 CD LYS A 62 11.247 -1.929 -24.320 1.00 0.93 C ATOM 984 CE LYS A 62 10.856 -0.721 -25.166 1.00 1.19 C ATOM 985 NZ LYS A 62 9.437 -0.357 -24.862 1.00 0.97 N ATOM 0 H LYS A 62 12.652 -4.191 -20.239 1.00 0.59 H new ATOM 0 HA LYS A 62 11.432 -1.964 -20.008 1.00 0.68 H new ATOM 0 HB2 LYS A 62 12.642 -2.946 -22.108 1.00 0.69 H new ATOM 0 HB3 LYS A 62 11.166 -3.787 -22.538 1.00 0.69 H new ATOM 0 HG2 LYS A 62 10.021 -1.425 -22.605 1.00 0.78 H new ATOM 0 HG3 LYS A 62 11.638 -0.753 -22.541 1.00 0.78 H new ATOM 0 HD2 LYS A 62 12.285 -2.196 -24.518 1.00 0.93 H new ATOM 0 HD3 LYS A 62 10.638 -2.788 -24.601 1.00 0.93 H new ATOM 0 HE2 LYS A 62 11.515 0.120 -24.951 1.00 1.19 H new ATOM 0 HE3 LYS A 62 10.968 -0.951 -26.226 1.00 1.19 H new ATOM 0 HZ1 LYS A 62 8.858 -0.471 -25.719 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 9.072 -0.979 -24.113 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 9.393 0.632 -24.543 1.00 0.97 H new ATOM 999 N GLY A 63 8.840 -3.494 -20.998 1.00 0.28 N ATOM 1000 CA GLY A 63 7.355 -3.298 -21.006 1.00 0.55 C ATOM 1001 C GLY A 63 6.629 -3.950 -19.857 1.00 0.52 C ATOM 1002 O GLY A 63 5.687 -4.691 -20.049 1.00 0.41 O ATOM 0 H GLY A 63 9.167 -4.381 -21.382 1.00 0.28 H new ATOM 0 HA2 GLY A 63 7.143 -2.229 -20.993 1.00 0.55 H new ATOM 0 HA3 GLY A 63 6.955 -3.691 -21.941 1.00 0.55 H new ATOM 1006 N THR A 64 7.104 -3.646 -18.688 1.00 0.66 N ATOM 1007 CA THR A 64 6.453 -4.225 -17.470 1.00 0.71 C ATOM 1008 C THR A 64 5.475 -3.240 -16.863 1.00 0.68 C ATOM 1009 O THR A 64 5.551 -2.036 -17.040 1.00 0.63 O ATOM 1010 CB THR A 64 7.497 -4.557 -16.409 1.00 0.99 C ATOM 1011 OG1 THR A 64 8.190 -5.615 -17.010 1.00 1.11 O ATOM 1012 CG2 THR A 64 6.978 -5.326 -15.218 1.00 1.11 C ATOM 0 H THR A 64 7.901 -3.033 -18.515 1.00 0.66 H new ATOM 0 HA THR A 64 5.930 -5.129 -17.782 1.00 0.71 H new ATOM 0 HB THR A 64 7.973 -3.623 -16.109 1.00 0.99 H new ATOM 0 HG1 THR A 64 9.014 -5.276 -17.418 1.00 1.11 H new ATOM 0 HG21 THR A 64 7.795 -5.513 -14.521 1.00 1.11 H new ATOM 0 HG22 THR A 64 6.202 -4.745 -14.720 1.00 1.11 H new ATOM 0 HG23 THR A 64 6.561 -6.276 -15.552 1.00 1.11 H new ATOM 1020 N SER A 65 4.571 -3.830 -16.130 1.00 0.80 N ATOM 1021 CA SER A 65 3.515 -3.045 -15.432 1.00 0.87 C ATOM 1022 C SER A 65 4.271 -2.627 -14.169 1.00 0.75 C ATOM 1023 O SER A 65 4.739 -3.454 -13.407 1.00 0.81 O ATOM 1024 CB SER A 65 2.318 -3.944 -15.081 1.00 0.82 C ATOM 1025 OG SER A 65 1.999 -4.606 -16.312 1.00 3.04 O ATOM 0 H SER A 65 4.519 -4.838 -15.983 1.00 0.80 H new ATOM 0 HA SER A 65 3.097 -2.219 -16.008 1.00 0.87 H new ATOM 0 HB2 SER A 65 2.574 -4.659 -14.299 1.00 0.82 H new ATOM 0 HB3 SER A 65 1.475 -3.359 -14.714 1.00 0.82 H new ATOM 0 HG SER A 65 1.238 -5.207 -16.172 1.00 3.04 H new ATOM 1031 N LYS A 66 4.384 -1.337 -13.985 1.00 0.62 N ATOM 1032 CA LYS A 66 5.110 -0.742 -12.806 1.00 0.49 C ATOM 1033 C LYS A 66 4.982 -1.579 -11.552 1.00 0.33 C ATOM 1034 O LYS A 66 5.937 -1.953 -10.909 1.00 0.34 O ATOM 1035 CB LYS A 66 4.563 0.703 -12.617 1.00 0.58 C ATOM 1036 CG LYS A 66 5.211 1.555 -13.741 1.00 0.63 C ATOM 1037 CD LYS A 66 4.698 2.995 -13.646 1.00 0.69 C ATOM 1038 CE LYS A 66 5.536 3.976 -14.495 1.00 0.75 C ATOM 1039 NZ LYS A 66 5.513 3.568 -15.934 1.00 0.75 N ATOM 0 H LYS A 66 3.992 -0.643 -14.621 1.00 0.62 H new ATOM 0 HA LYS A 66 6.182 -0.719 -13.002 1.00 0.49 H new ATOM 0 HB2 LYS A 66 3.476 0.722 -12.691 1.00 0.58 H new ATOM 0 HB3 LYS A 66 4.822 1.093 -11.633 1.00 0.58 H new ATOM 0 HG2 LYS A 66 6.297 1.537 -13.646 1.00 0.63 H new ATOM 0 HG3 LYS A 66 4.969 1.134 -14.717 1.00 0.63 H new ATOM 0 HD2 LYS A 66 3.659 3.030 -13.975 1.00 0.69 H new ATOM 0 HD3 LYS A 66 4.714 3.315 -12.604 1.00 0.69 H new ATOM 0 HE2 LYS A 66 5.142 4.987 -14.390 1.00 0.75 H new ATOM 0 HE3 LYS A 66 6.564 3.996 -14.132 1.00 0.75 H new ATOM 0 HZ1 LYS A 66 6.198 4.140 -16.468 1.00 0.75 H new ATOM 0 HZ2 LYS A 66 5.765 2.562 -16.014 1.00 0.75 H new ATOM 0 HZ3 LYS A 66 4.560 3.718 -16.322 1.00 0.75 H new ATOM 1053 N GLU A 67 3.745 -1.813 -11.274 1.00 0.40 N ATOM 1054 CA GLU A 67 3.252 -2.615 -10.131 1.00 0.38 C ATOM 1055 C GLU A 67 4.077 -3.918 -9.848 1.00 0.32 C ATOM 1056 O GLU A 67 4.507 -4.163 -8.733 1.00 0.39 O ATOM 1057 CB GLU A 67 1.771 -2.812 -10.530 1.00 0.30 C ATOM 1058 CG GLU A 67 0.954 -1.423 -10.379 1.00 0.24 C ATOM 1059 CD GLU A 67 -0.339 -1.307 -11.227 1.00 1.84 C ATOM 1060 OE1 GLU A 67 -0.455 -2.081 -12.163 1.00 3.23 O ATOM 1061 OE2 GLU A 67 -1.132 -0.440 -10.894 1.00 1.59 O ATOM 0 H GLU A 67 2.986 -1.445 -11.848 1.00 0.40 H new ATOM 0 HA GLU A 67 3.365 -2.137 -9.158 1.00 0.38 H new ATOM 0 HB2 GLU A 67 1.709 -3.167 -11.559 1.00 0.30 H new ATOM 0 HB3 GLU A 67 1.317 -3.578 -9.901 1.00 0.30 H new ATOM 0 HG2 GLU A 67 0.691 -1.290 -9.330 1.00 0.24 H new ATOM 0 HG3 GLU A 67 1.618 -0.601 -10.648 1.00 0.24 H new ATOM 1068 N ASP A 68 4.322 -4.745 -10.835 1.00 0.14 N ATOM 1069 CA ASP A 68 5.113 -5.987 -10.537 1.00 0.08 C ATOM 1070 C ASP A 68 6.569 -5.631 -10.305 1.00 0.10 C ATOM 1071 O ASP A 68 7.273 -6.296 -9.567 1.00 0.35 O ATOM 1072 CB ASP A 68 4.959 -6.978 -11.698 1.00 0.16 C ATOM 1073 CG ASP A 68 4.339 -8.247 -11.112 1.00 1.10 C ATOM 1074 OD1 ASP A 68 3.247 -8.142 -10.591 1.00 0.52 O ATOM 1075 OD2 ASP A 68 4.957 -9.289 -11.165 1.00 3.24 O ATOM 0 H ASP A 68 4.022 -4.625 -11.803 1.00 0.14 H new ATOM 0 HA ASP A 68 4.736 -6.457 -9.629 1.00 0.08 H new ATOM 0 HB2 ASP A 68 4.324 -6.562 -12.480 1.00 0.16 H new ATOM 0 HB3 ASP A 68 5.925 -7.194 -12.153 1.00 0.16 H new ATOM 1080 N ALA A 69 6.968 -4.569 -10.943 1.00 0.16 N ATOM 1081 CA ALA A 69 8.379 -4.138 -10.759 1.00 0.10 C ATOM 1082 C ALA A 69 8.352 -3.712 -9.266 1.00 0.14 C ATOM 1083 O ALA A 69 9.287 -4.010 -8.557 1.00 0.20 O ATOM 1084 CB ALA A 69 8.690 -2.967 -11.705 1.00 0.12 C ATOM 0 H ALA A 69 6.399 -3.996 -11.566 1.00 0.16 H new ATOM 0 HA ALA A 69 9.142 -4.884 -10.981 1.00 0.10 H new ATOM 0 HB1 ALA A 69 9.725 -2.653 -11.568 1.00 0.12 H new ATOM 0 HB2 ALA A 69 8.541 -3.284 -12.737 1.00 0.12 H new ATOM 0 HB3 ALA A 69 8.025 -2.132 -11.482 1.00 0.12 H new ATOM 1090 N MET A 70 7.311 -3.036 -8.820 1.00 0.14 N ATOM 1091 CA MET A 70 7.251 -2.630 -7.384 1.00 0.14 C ATOM 1092 C MET A 70 7.373 -3.922 -6.584 1.00 0.10 C ATOM 1093 O MET A 70 8.246 -3.970 -5.751 1.00 0.17 O ATOM 1094 CB MET A 70 5.904 -1.893 -7.067 1.00 0.19 C ATOM 1095 CG MET A 70 5.763 -0.661 -7.971 1.00 0.26 C ATOM 1096 SD MET A 70 4.546 0.586 -7.496 1.00 0.63 S ATOM 1097 CE MET A 70 5.183 1.900 -8.567 1.00 0.74 C ATOM 0 H MET A 70 6.512 -2.754 -9.387 1.00 0.14 H new ATOM 0 HA MET A 70 8.048 -1.930 -7.131 1.00 0.14 H new ATOM 0 HB2 MET A 70 5.063 -2.569 -7.223 1.00 0.19 H new ATOM 0 HB3 MET A 70 5.881 -1.592 -6.020 1.00 0.19 H new ATOM 0 HG2 MET A 70 6.737 -0.175 -8.032 1.00 0.26 H new ATOM 0 HG3 MET A 70 5.516 -1.007 -8.975 1.00 0.26 H new ATOM 0 HE1 MET A 70 4.367 2.564 -8.853 1.00 0.74 H new ATOM 0 HE2 MET A 70 5.943 2.469 -8.032 1.00 0.74 H new ATOM 0 HE3 MET A 70 5.623 1.459 -9.462 1.00 0.74 H new ATOM 1107 N LYS A 71 6.543 -4.908 -6.827 1.00 0.18 N ATOM 1108 CA LYS A 71 6.645 -6.201 -6.070 1.00 0.28 C ATOM 1109 C LYS A 71 8.132 -6.605 -6.009 1.00 0.27 C ATOM 1110 O LYS A 71 8.794 -6.470 -5.002 1.00 0.43 O ATOM 1111 CB LYS A 71 5.859 -7.332 -6.789 1.00 0.48 C ATOM 1112 CG LYS A 71 4.377 -7.384 -6.375 1.00 0.65 C ATOM 1113 CD LYS A 71 3.580 -8.195 -7.442 1.00 2.62 C ATOM 1114 CE LYS A 71 4.174 -9.595 -7.738 1.00 4.80 C ATOM 1115 NZ LYS A 71 3.484 -10.134 -8.956 1.00 6.36 N ATOM 0 H LYS A 71 5.795 -4.875 -7.520 1.00 0.18 H new ATOM 0 HA LYS A 71 6.225 -6.062 -5.074 1.00 0.28 H new ATOM 0 HB2 LYS A 71 5.926 -7.186 -7.867 1.00 0.48 H new ATOM 0 HB3 LYS A 71 6.327 -8.291 -6.568 1.00 0.48 H new ATOM 0 HG2 LYS A 71 4.276 -7.850 -5.395 1.00 0.65 H new ATOM 0 HG3 LYS A 71 3.974 -6.375 -6.291 1.00 0.65 H new ATOM 0 HD2 LYS A 71 2.551 -8.312 -7.101 1.00 2.62 H new ATOM 0 HD3 LYS A 71 3.546 -7.622 -8.369 1.00 2.62 H new ATOM 0 HE2 LYS A 71 5.249 -9.527 -7.906 1.00 4.80 H new ATOM 0 HE3 LYS A 71 4.026 -10.261 -6.888 1.00 4.80 H new ATOM 0 HZ1 LYS A 71 2.827 -10.890 -8.677 1.00 6.36 H new ATOM 0 HZ2 LYS A 71 2.954 -9.370 -9.422 1.00 6.36 H new ATOM 0 HZ3 LYS A 71 4.192 -10.516 -9.615 1.00 6.36 H new ATOM 1129 N ALA A 72 8.649 -7.036 -7.132 1.00 0.26 N ATOM 1130 CA ALA A 72 10.065 -7.467 -7.191 1.00 0.38 C ATOM 1131 C ALA A 72 11.010 -6.354 -6.721 1.00 0.33 C ATOM 1132 O ALA A 72 12.168 -6.585 -6.435 1.00 0.70 O ATOM 1133 CB ALA A 72 10.266 -7.894 -8.639 1.00 0.47 C ATOM 0 H ALA A 72 8.141 -7.106 -8.014 1.00 0.26 H new ATOM 0 HA ALA A 72 10.297 -8.290 -6.515 1.00 0.38 H new ATOM 0 HB1 ALA A 72 11.293 -8.231 -8.780 1.00 0.47 H new ATOM 0 HB2 ALA A 72 9.581 -8.708 -8.877 1.00 0.47 H new ATOM 0 HB3 ALA A 72 10.068 -7.049 -9.298 1.00 0.47 H new ATOM 1139 N TYR A 73 10.542 -5.143 -6.641 1.00 0.26 N ATOM 1140 CA TYR A 73 11.447 -4.059 -6.183 1.00 0.38 C ATOM 1141 C TYR A 73 11.540 -4.178 -4.662 1.00 0.34 C ATOM 1142 O TYR A 73 12.583 -4.426 -4.085 1.00 0.32 O ATOM 1143 CB TYR A 73 10.878 -2.682 -6.572 1.00 0.47 C ATOM 1144 CG TYR A 73 11.853 -1.593 -6.142 1.00 0.34 C ATOM 1145 CD1 TYR A 73 13.009 -1.389 -6.857 1.00 2.19 C ATOM 1146 CD2 TYR A 73 11.605 -0.820 -5.034 1.00 2.56 C ATOM 1147 CE1 TYR A 73 13.921 -0.431 -6.478 1.00 2.33 C ATOM 1148 CE2 TYR A 73 12.515 0.137 -4.659 1.00 2.40 C ATOM 1149 CZ TYR A 73 13.669 0.335 -5.372 1.00 0.18 C ATOM 1150 OH TYR A 73 14.535 1.306 -4.935 1.00 0.16 O ATOM 0 H TYR A 73 9.589 -4.860 -6.869 1.00 0.26 H new ATOM 0 HA TYR A 73 12.429 -4.151 -6.647 1.00 0.38 H new ATOM 0 HB2 TYR A 73 10.714 -2.635 -7.649 1.00 0.47 H new ATOM 0 HB3 TYR A 73 9.910 -2.528 -6.095 1.00 0.47 H new ATOM 0 HD1 TYR A 73 13.205 -1.991 -7.732 1.00 2.19 H new ATOM 0 HD2 TYR A 73 10.700 -0.964 -4.462 1.00 2.56 H new ATOM 0 HE1 TYR A 73 14.827 -0.285 -7.048 1.00 2.33 H new ATOM 0 HE2 TYR A 73 12.318 0.744 -3.788 1.00 2.40 H new ATOM 0 HH TYR A 73 15.138 1.559 -5.665 1.00 0.16 H new ATOM 1160 N ILE A 74 10.399 -4.013 -4.069 1.00 0.33 N ATOM 1161 CA ILE A 74 10.240 -4.077 -2.593 1.00 0.29 C ATOM 1162 C ILE A 74 10.850 -5.404 -2.094 1.00 0.18 C ATOM 1163 O ILE A 74 11.388 -5.456 -1.012 1.00 0.56 O ATOM 1164 CB ILE A 74 8.740 -3.925 -2.352 1.00 0.27 C ATOM 1165 CG1 ILE A 74 8.285 -2.548 -2.934 1.00 0.17 C ATOM 1166 CG2 ILE A 74 8.542 -3.850 -0.815 1.00 0.36 C ATOM 1167 CD1 ILE A 74 6.760 -2.545 -3.109 1.00 0.42 C ATOM 0 H ILE A 74 9.530 -3.828 -4.569 1.00 0.33 H new ATOM 0 HA ILE A 74 10.762 -3.298 -2.037 1.00 0.29 H new ATOM 0 HB ILE A 74 8.183 -4.745 -2.807 1.00 0.27 H new ATOM 0 HG12 ILE A 74 8.587 -1.741 -2.266 1.00 0.17 H new ATOM 0 HG13 ILE A 74 8.772 -2.367 -3.892 1.00 0.17 H new ATOM 0 HG21 ILE A 74 7.481 -3.740 -0.590 1.00 0.36 H new ATOM 0 HG22 ILE A 74 8.918 -4.764 -0.355 1.00 0.36 H new ATOM 0 HG23 ILE A 74 9.087 -2.993 -0.419 1.00 0.36 H new ATOM 0 HD11 ILE A 74 6.442 -1.585 -3.515 1.00 0.42 H new ATOM 0 HD12 ILE A 74 6.471 -3.342 -3.794 1.00 0.42 H new ATOM 0 HD13 ILE A 74 6.283 -2.706 -2.142 1.00 0.42 H new ATOM 1179 N ASP A 75 10.760 -6.417 -2.920 1.00 0.35 N ATOM 1180 CA ASP A 75 11.294 -7.786 -2.634 1.00 0.57 C ATOM 1181 C ASP A 75 12.845 -7.860 -2.580 1.00 0.47 C ATOM 1182 O ASP A 75 13.453 -8.622 -1.858 1.00 0.56 O ATOM 1183 CB ASP A 75 10.780 -8.671 -3.742 1.00 0.93 C ATOM 1184 CG ASP A 75 9.266 -8.835 -3.794 1.00 1.47 C ATOM 1185 OD1 ASP A 75 8.630 -8.459 -2.827 1.00 2.00 O ATOM 1186 OD2 ASP A 75 8.837 -9.347 -4.819 1.00 2.89 O ATOM 0 H ASP A 75 10.312 -6.344 -3.833 1.00 0.35 H new ATOM 0 HA ASP A 75 10.960 -8.097 -1.644 1.00 0.57 H new ATOM 0 HB2 ASP A 75 11.118 -8.265 -4.695 1.00 0.93 H new ATOM 0 HB3 ASP A 75 11.233 -9.657 -3.637 1.00 0.93 H new ATOM 1191 N LYS A 76 13.420 -6.982 -3.352 1.00 0.46 N ATOM 1192 CA LYS A 76 14.912 -6.870 -3.493 1.00 0.59 C ATOM 1193 C LYS A 76 15.289 -6.111 -2.267 1.00 0.37 C ATOM 1194 O LYS A 76 16.168 -6.489 -1.534 1.00 0.39 O ATOM 1195 CB LYS A 76 15.168 -6.129 -4.772 1.00 0.72 C ATOM 1196 CG LYS A 76 15.930 -4.816 -4.598 1.00 2.24 C ATOM 1197 CD LYS A 76 16.022 -4.134 -5.929 1.00 4.49 C ATOM 1198 CE LYS A 76 14.708 -3.879 -6.595 1.00 5.51 C ATOM 1199 NZ LYS A 76 14.337 -5.134 -7.324 1.00 5.96 N ATOM 0 H LYS A 76 12.902 -6.308 -3.916 1.00 0.46 H new ATOM 0 HA LYS A 76 15.481 -7.798 -3.557 1.00 0.59 H new ATOM 0 HB2 LYS A 76 15.731 -6.775 -5.446 1.00 0.72 H new ATOM 0 HB3 LYS A 76 14.213 -5.920 -5.254 1.00 0.72 H new ATOM 0 HG2 LYS A 76 15.419 -4.175 -3.879 1.00 2.24 H new ATOM 0 HG3 LYS A 76 16.927 -5.007 -4.202 1.00 2.24 H new ATOM 0 HD2 LYS A 76 16.538 -3.183 -5.799 1.00 4.49 H new ATOM 0 HD3 LYS A 76 16.637 -4.743 -6.592 1.00 4.49 H new ATOM 0 HE2 LYS A 76 13.946 -3.621 -5.859 1.00 5.51 H new ATOM 0 HE3 LYS A 76 14.782 -3.039 -7.286 1.00 5.51 H new ATOM 0 HZ1 LYS A 76 13.320 -5.317 -7.204 1.00 5.96 H new ATOM 0 HZ2 LYS A 76 14.552 -5.024 -8.336 1.00 5.96 H new ATOM 0 HZ3 LYS A 76 14.880 -5.933 -6.939 1.00 5.96 H new ATOM 1213 N VAL A 77 14.600 -5.025 -2.062 1.00 0.19 N ATOM 1214 CA VAL A 77 14.890 -4.207 -0.853 1.00 0.17 C ATOM 1215 C VAL A 77 14.759 -5.246 0.310 1.00 0.24 C ATOM 1216 O VAL A 77 15.641 -5.370 1.125 1.00 0.37 O ATOM 1217 CB VAL A 77 13.854 -3.067 -0.852 1.00 0.16 C ATOM 1218 CG1 VAL A 77 14.174 -2.147 0.330 1.00 0.38 C ATOM 1219 CG2 VAL A 77 14.020 -2.260 -2.193 1.00 0.05 C ATOM 0 H VAL A 77 13.860 -4.672 -2.668 1.00 0.19 H new ATOM 0 HA VAL A 77 15.864 -3.722 -0.783 1.00 0.17 H new ATOM 0 HB VAL A 77 12.837 -3.452 -0.769 1.00 0.16 H new ATOM 0 HG11 VAL A 77 13.456 -1.327 0.358 1.00 0.38 H new ATOM 0 HG12 VAL A 77 14.114 -2.714 1.259 1.00 0.38 H new ATOM 0 HG13 VAL A 77 15.180 -1.744 0.215 1.00 0.38 H new ATOM 0 HG21 VAL A 77 13.297 -1.445 -2.219 1.00 0.05 H new ATOM 0 HG22 VAL A 77 15.029 -1.852 -2.250 1.00 0.05 H new ATOM 0 HG23 VAL A 77 13.849 -2.924 -3.041 1.00 0.05 H new ATOM 1229 N GLU A 78 13.674 -5.974 0.385 1.00 0.36 N ATOM 1230 CA GLU A 78 13.463 -7.023 1.445 1.00 0.56 C ATOM 1231 C GLU A 78 14.765 -7.876 1.581 1.00 0.24 C ATOM 1232 O GLU A 78 15.453 -7.846 2.589 1.00 0.15 O ATOM 1233 CB GLU A 78 12.238 -7.847 0.963 1.00 0.96 C ATOM 1234 CG GLU A 78 11.066 -7.763 1.965 1.00 1.67 C ATOM 1235 CD GLU A 78 11.384 -8.609 3.167 1.00 4.06 C ATOM 1236 OE1 GLU A 78 11.266 -9.815 3.042 1.00 5.97 O ATOM 1237 OE2 GLU A 78 11.736 -8.050 4.190 1.00 4.04 O ATOM 0 H GLU A 78 12.894 -5.885 -0.267 1.00 0.36 H new ATOM 0 HA GLU A 78 13.265 -6.616 2.437 1.00 0.56 H new ATOM 0 HB2 GLU A 78 11.912 -7.480 -0.010 1.00 0.96 H new ATOM 0 HB3 GLU A 78 12.529 -8.889 0.830 1.00 0.96 H new ATOM 0 HG2 GLU A 78 10.902 -6.728 2.266 1.00 1.67 H new ATOM 0 HG3 GLU A 78 10.145 -8.108 1.496 1.00 1.67 H new ATOM 1244 N GLU A 79 15.041 -8.590 0.521 1.00 0.21 N ATOM 1245 CA GLU A 79 16.236 -9.478 0.416 1.00 0.18 C ATOM 1246 C GLU A 79 17.536 -8.802 0.887 1.00 0.09 C ATOM 1247 O GLU A 79 18.310 -9.320 1.663 1.00 0.19 O ATOM 1248 CB GLU A 79 16.314 -9.893 -1.068 1.00 0.29 C ATOM 1249 CG GLU A 79 15.554 -11.238 -1.274 1.00 0.55 C ATOM 1250 CD GLU A 79 16.562 -12.344 -1.041 1.00 1.83 C ATOM 1251 OE1 GLU A 79 16.962 -12.540 0.093 1.00 1.13 O ATOM 1252 OE2 GLU A 79 16.938 -12.963 -2.018 1.00 3.63 O ATOM 0 H GLU A 79 14.457 -8.592 -0.315 1.00 0.21 H new ATOM 0 HA GLU A 79 16.130 -10.340 1.075 1.00 0.18 H new ATOM 0 HB2 GLU A 79 15.878 -9.117 -1.697 1.00 0.29 H new ATOM 0 HB3 GLU A 79 17.355 -10.001 -1.372 1.00 0.29 H new ATOM 0 HG2 GLU A 79 14.719 -11.322 -0.578 1.00 0.55 H new ATOM 0 HG3 GLU A 79 15.138 -11.298 -2.280 1.00 0.55 H new ATOM 1259 N LEU A 80 17.721 -7.610 0.406 1.00 0.17 N ATOM 1260 CA LEU A 80 18.924 -6.786 0.719 1.00 0.29 C ATOM 1261 C LEU A 80 18.919 -6.313 2.167 1.00 0.45 C ATOM 1262 O LEU A 80 19.924 -6.354 2.837 1.00 0.68 O ATOM 1263 CB LEU A 80 18.911 -5.628 -0.272 1.00 0.17 C ATOM 1264 CG LEU A 80 19.161 -6.208 -1.678 1.00 0.44 C ATOM 1265 CD1 LEU A 80 19.039 -5.095 -2.649 1.00 0.64 C ATOM 1266 CD2 LEU A 80 20.594 -6.718 -1.795 1.00 0.74 C ATOM 0 H LEU A 80 17.059 -7.150 -0.220 1.00 0.17 H new ATOM 0 HA LEU A 80 19.841 -7.366 0.618 1.00 0.29 H new ATOM 0 HB2 LEU A 80 17.954 -5.107 -0.238 1.00 0.17 H new ATOM 0 HB3 LEU A 80 19.680 -4.899 -0.017 1.00 0.17 H new ATOM 0 HG LEU A 80 18.453 -7.016 -1.862 1.00 0.44 H new ATOM 0 HD11 LEU A 80 19.211 -5.471 -3.657 1.00 0.64 H new ATOM 0 HD12 LEU A 80 18.039 -4.666 -2.587 1.00 0.64 H new ATOM 0 HD13 LEU A 80 19.778 -4.328 -2.418 1.00 0.64 H new ATOM 0 HD21 LEU A 80 20.755 -7.125 -2.793 1.00 0.74 H new ATOM 0 HD22 LEU A 80 21.288 -5.896 -1.622 1.00 0.74 H new ATOM 0 HD23 LEU A 80 20.764 -7.499 -1.054 1.00 0.74 H new ATOM 1278 N LYS A 81 17.809 -5.849 2.644 1.00 0.43 N ATOM 1279 CA LYS A 81 17.700 -5.377 4.052 1.00 0.72 C ATOM 1280 C LYS A 81 18.156 -6.568 4.894 1.00 0.89 C ATOM 1281 O LYS A 81 18.938 -6.413 5.809 1.00 1.17 O ATOM 1282 CB LYS A 81 16.213 -4.964 4.206 1.00 0.95 C ATOM 1283 CG LYS A 81 15.993 -4.201 5.513 1.00 1.65 C ATOM 1284 CD LYS A 81 14.564 -3.569 5.530 1.00 2.38 C ATOM 1285 CE LYS A 81 14.443 -2.373 6.516 1.00 2.92 C ATOM 1286 NZ LYS A 81 14.973 -2.758 7.850 1.00 3.13 N ATOM 0 H LYS A 81 16.946 -5.773 2.106 1.00 0.43 H new ATOM 0 HA LYS A 81 18.304 -4.522 4.356 1.00 0.72 H new ATOM 0 HB2 LYS A 81 15.915 -4.342 3.362 1.00 0.95 H new ATOM 0 HB3 LYS A 81 15.581 -5.852 4.187 1.00 0.95 H new ATOM 0 HG2 LYS A 81 16.111 -4.875 6.361 1.00 1.65 H new ATOM 0 HG3 LYS A 81 16.746 -3.420 5.619 1.00 1.65 H new ATOM 0 HD2 LYS A 81 14.309 -3.232 4.525 1.00 2.38 H new ATOM 0 HD3 LYS A 81 13.837 -4.334 5.804 1.00 2.38 H new ATOM 0 HE2 LYS A 81 14.995 -1.516 6.130 1.00 2.92 H new ATOM 0 HE3 LYS A 81 13.400 -2.068 6.604 1.00 2.92 H new ATOM 0 HZ1 LYS A 81 15.269 -1.905 8.365 1.00 3.13 H new ATOM 0 HZ2 LYS A 81 14.232 -3.249 8.390 1.00 3.13 H new ATOM 0 HZ3 LYS A 81 15.790 -3.391 7.730 1.00 3.13 H new ATOM 1300 N LYS A 82 17.659 -7.722 4.546 1.00 0.73 N ATOM 1301 CA LYS A 82 18.021 -8.972 5.267 1.00 0.85 C ATOM 1302 C LYS A 82 19.489 -9.376 5.093 1.00 0.74 C ATOM 1303 O LYS A 82 20.178 -9.709 6.034 1.00 0.79 O ATOM 1304 CB LYS A 82 17.044 -10.043 4.754 1.00 1.17 C ATOM 1305 CG LYS A 82 15.695 -9.584 5.296 1.00 1.51 C ATOM 1306 CD LYS A 82 14.509 -10.392 4.787 1.00 2.30 C ATOM 1307 CE LYS A 82 13.407 -10.035 5.778 1.00 3.02 C ATOM 1308 NZ LYS A 82 12.088 -10.499 5.289 1.00 4.14 N ATOM 0 H LYS A 82 17.003 -7.853 3.776 1.00 0.73 H new ATOM 0 HA LYS A 82 17.929 -8.833 6.344 1.00 0.85 H new ATOM 0 HB2 LYS A 82 17.042 -10.096 3.665 1.00 1.17 H new ATOM 0 HB3 LYS A 82 17.307 -11.035 5.121 1.00 1.17 H new ATOM 0 HG2 LYS A 82 15.716 -9.638 6.384 1.00 1.51 H new ATOM 0 HG3 LYS A 82 15.547 -8.537 5.031 1.00 1.51 H new ATOM 0 HD2 LYS A 82 14.240 -10.117 3.767 1.00 2.30 H new ATOM 0 HD3 LYS A 82 14.720 -11.461 4.784 1.00 2.30 H new ATOM 0 HE2 LYS A 82 13.621 -10.489 6.746 1.00 3.02 H new ATOM 0 HE3 LYS A 82 13.384 -8.956 5.930 1.00 3.02 H new ATOM 0 HZ1 LYS A 82 11.356 -9.810 5.557 1.00 4.14 H new ATOM 0 HZ2 LYS A 82 12.114 -10.590 4.253 1.00 4.14 H new ATOM 0 HZ3 LYS A 82 11.866 -11.423 5.712 1.00 4.14 H new ATOM 1322 N LYS A 83 19.907 -9.343 3.867 1.00 0.62 N ATOM 1323 CA LYS A 83 21.313 -9.692 3.475 1.00 0.61 C ATOM 1324 C LYS A 83 22.361 -8.739 4.085 1.00 0.58 C ATOM 1325 O LYS A 83 23.358 -9.169 4.620 1.00 0.63 O ATOM 1326 CB LYS A 83 21.451 -9.628 1.943 1.00 0.49 C ATOM 1327 CG LYS A 83 20.764 -10.799 1.217 1.00 0.46 C ATOM 1328 CD LYS A 83 20.535 -10.342 -0.268 1.00 0.30 C ATOM 1329 CE LYS A 83 20.454 -11.533 -1.235 1.00 0.47 C ATOM 1330 NZ LYS A 83 19.385 -12.478 -0.802 1.00 2.57 N ATOM 0 H LYS A 83 19.314 -9.078 3.080 1.00 0.62 H new ATOM 0 HA LYS A 83 21.502 -10.696 3.856 1.00 0.61 H new ATOM 0 HB2 LYS A 83 21.026 -8.690 1.586 1.00 0.49 H new ATOM 0 HB3 LYS A 83 22.509 -9.619 1.681 1.00 0.49 H new ATOM 0 HG2 LYS A 83 21.385 -11.694 1.254 1.00 0.46 H new ATOM 0 HG3 LYS A 83 19.817 -11.048 1.695 1.00 0.46 H new ATOM 0 HD2 LYS A 83 19.614 -9.762 -0.330 1.00 0.30 H new ATOM 0 HD3 LYS A 83 21.348 -9.683 -0.573 1.00 0.30 H new ATOM 0 HE2 LYS A 83 20.248 -11.177 -2.245 1.00 0.47 H new ATOM 0 HE3 LYS A 83 21.414 -12.049 -1.269 1.00 0.47 H new ATOM 0 HZ1 LYS A 83 18.799 -12.738 -1.621 1.00 2.57 H new ATOM 0 HZ2 LYS A 83 19.820 -13.334 -0.402 1.00 2.57 H new ATOM 0 HZ3 LYS A 83 18.790 -12.022 -0.081 1.00 2.57 H new ATOM 1344 N TYR A 84 22.091 -7.469 3.972 1.00 0.53 N ATOM 1345 CA TYR A 84 22.984 -6.388 4.486 1.00 0.61 C ATOM 1346 C TYR A 84 22.748 -5.854 5.916 1.00 0.78 C ATOM 1347 O TYR A 84 23.711 -5.359 6.475 1.00 1.99 O ATOM 1348 CB TYR A 84 22.916 -5.260 3.411 1.00 0.53 C ATOM 1349 CG TYR A 84 23.592 -5.810 2.136 1.00 0.30 C ATOM 1350 CD1 TYR A 84 24.971 -5.770 2.025 1.00 2.27 C ATOM 1351 CD2 TYR A 84 22.867 -6.371 1.099 1.00 2.46 C ATOM 1352 CE1 TYR A 84 25.607 -6.278 0.911 1.00 2.49 C ATOM 1353 CE2 TYR A 84 23.508 -6.878 -0.010 1.00 2.21 C ATOM 1354 CZ TYR A 84 24.884 -6.835 -0.112 1.00 0.34 C ATOM 1355 OH TYR A 84 25.548 -7.328 -1.219 1.00 0.61 O ATOM 0 H TYR A 84 21.245 -7.119 3.522 1.00 0.53 H new ATOM 0 HA TYR A 84 23.976 -6.819 4.620 1.00 0.61 H new ATOM 0 HB2 TYR A 84 21.882 -4.981 3.209 1.00 0.53 H new ATOM 0 HB3 TYR A 84 23.426 -4.362 3.761 1.00 0.53 H new ATOM 0 HD1 TYR A 84 25.557 -5.335 2.821 1.00 2.27 H new ATOM 0 HD2 TYR A 84 21.789 -6.412 1.160 1.00 2.46 H new ATOM 0 HE1 TYR A 84 26.684 -6.236 0.844 1.00 2.49 H new ATOM 0 HE2 TYR A 84 22.927 -7.314 -0.809 1.00 2.21 H new ATOM 0 HH TYR A 84 24.898 -7.691 -1.856 1.00 0.61 H new ATOM 1365 N GLY A 85 21.570 -5.909 6.508 1.00 0.61 N ATOM 1366 CA GLY A 85 21.450 -5.379 7.932 1.00 0.63 C ATOM 1367 C GLY A 85 20.848 -4.042 8.332 1.00 0.67 C ATOM 1368 O GLY A 85 21.247 -3.482 9.340 1.00 1.31 O ATOM 0 H GLY A 85 20.714 -6.280 6.096 1.00 0.61 H new ATOM 0 HA2 GLY A 85 20.888 -6.133 8.482 1.00 0.63 H new ATOM 0 HA3 GLY A 85 22.463 -5.380 8.335 1.00 0.63 H new ATOM 1372 N ILE A 86 19.924 -3.521 7.582 1.00 0.25 N ATOM 1373 CA ILE A 86 19.315 -2.211 7.972 1.00 0.64 C ATOM 1374 C ILE A 86 17.850 -2.483 8.391 1.00 1.30 C ATOM 1375 O ILE A 86 17.293 -1.669 9.107 1.00 1.54 O ATOM 1376 CB ILE A 86 19.438 -1.261 6.733 1.00 0.37 C ATOM 1377 CG1 ILE A 86 18.976 0.159 7.151 1.00 0.50 C ATOM 1378 CG2 ILE A 86 18.501 -1.732 5.636 1.00 0.54 C ATOM 1379 CD1 ILE A 86 18.984 1.173 5.954 1.00 0.83 C ATOM 1380 OXT ILE A 86 17.315 -3.498 7.984 1.00 3.43 O ATOM 0 H ILE A 86 19.562 -3.935 6.723 1.00 0.25 H new ATOM 0 HA ILE A 86 19.812 -1.731 8.815 1.00 0.64 H new ATOM 0 HB ILE A 86 20.470 -1.260 6.382 1.00 0.37 H new ATOM 0 HG12 ILE A 86 17.970 0.102 7.567 1.00 0.50 H new ATOM 0 HG13 ILE A 86 19.628 0.531 7.942 1.00 0.50 H new ATOM 0 HG21 ILE A 86 18.588 -1.070 4.774 1.00 0.54 H new ATOM 0 HG22 ILE A 86 18.767 -2.747 5.342 1.00 0.54 H new ATOM 0 HG23 ILE A 86 17.475 -1.717 6.003 1.00 0.54 H new ATOM 0 HD11 ILE A 86 18.652 2.151 6.303 1.00 0.83 H new ATOM 0 HD12 ILE A 86 19.994 1.255 5.553 1.00 0.83 H new ATOM 0 HD13 ILE A 86 18.311 0.819 5.173 1.00 0.83 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.661 2.662 -6.255 1.00 0.46 N HETATM 1394 C2A COA A 87 17.113 2.225 -7.424 1.00 0.40 C HETATM 1395 N3A COA A 87 17.760 2.914 -8.366 1.00 0.55 N HETATM 1396 C4A COA A 87 17.936 4.217 -8.014 1.00 0.45 C HETATM 1397 C5A COA A 87 17.524 4.811 -6.848 1.00 0.24 C HETATM 1398 C6A COA A 87 16.850 3.954 -5.933 1.00 0.41 C HETATM 1399 N6A COA A 87 16.385 4.321 -4.748 1.00 0.80 N HETATM 1400 N7A COA A 87 17.888 6.153 -6.831 1.00 0.51 N HETATM 1401 C8A COA A 87 18.503 6.318 -7.974 1.00 0.75 C HETATM 1402 N9A COA A 87 18.570 5.184 -8.749 1.00 0.82 N HETATM 1403 C1B COA A 87 19.211 4.985 -10.074 1.00 1.30 C HETATM 1404 C2B COA A 87 19.295 6.239 -10.955 1.00 1.18 C HETATM 1405 O2B COA A 87 18.405 6.069 -12.082 1.00 1.19 O HETATM 1406 C3B COA A 87 20.755 6.270 -11.416 1.00 1.22 C HETATM 1407 O3B COA A 87 20.998 5.641 -12.676 1.00 1.51 O HETATM 1408 P3B COA A 87 20.992 6.385 -14.082 1.00 1.44 P HETATM 1409 O7A COA A 87 21.555 7.724 -13.867 1.00 2.88 O HETATM 1410 O8A COA A 87 19.559 6.296 -14.448 1.00 3.55 O HETATM 1411 O9A COA A 87 21.792 5.406 -14.844 1.00 2.39 O HETATM 1412 C4B COA A 87 21.480 5.422 -10.390 1.00 1.62 C HETATM 1413 O4B COA A 87 20.530 4.562 -9.758 1.00 1.69 O HETATM 1414 C5B COA A 87 22.166 6.305 -9.343 1.00 1.60 C HETATM 1415 O5B COA A 87 21.261 7.211 -8.701 1.00 1.32 O HETATM 1416 P1A COA A 87 21.208 8.805 -8.943 1.00 2.16 P HETATM 1417 O1A COA A 87 20.488 9.298 -7.751 1.00 1.49 O HETATM 1418 O2A COA A 87 20.617 9.081 -10.267 1.00 3.16 O HETATM 1419 O3A COA A 87 22.708 9.226 -8.972 1.00 3.36 O HETATM 1420 P2A COA A 87 23.282 9.665 -7.619 1.00 3.47 P HETATM 1421 O4A COA A 87 24.757 9.613 -7.718 1.00 4.07 O HETATM 1422 O5A COA A 87 22.651 10.952 -7.249 1.00 4.00 O HETATM 1423 O6A COA A 87 22.880 8.544 -6.489 1.00 3.27 O HETATM 1424 CBP COA A 87 24.299 7.203 -4.890 1.00 2.05 C HETATM 1425 CCP COA A 87 23.527 8.536 -5.193 1.00 2.73 C HETATM 1426 CDP COA A 87 25.310 7.008 -5.991 1.00 2.20 C HETATM 1427 CEP COA A 87 23.313 6.020 -4.971 1.00 2.19 C HETATM 1428 CAP COA A 87 24.988 7.258 -3.458 1.00 1.24 C HETATM 1429 OAP COA A 87 25.665 6.002 -3.288 1.00 2.29 O HETATM 1430 C9P COA A 87 23.853 7.463 -2.448 1.00 1.88 C HETATM 1431 O9P COA A 87 23.236 8.503 -2.303 1.00 2.74 O HETATM 1432 N8P COA A 87 23.638 6.379 -1.794 1.00 1.68 N HETATM 1433 C7P COA A 87 22.607 6.252 -0.760 1.00 2.48 C HETATM 1434 C6P COA A 87 23.350 6.423 0.586 1.00 2.82 C HETATM 1435 C5P COA A 87 24.609 5.573 0.718 1.00 2.61 C HETATM 1436 O5P COA A 87 25.465 5.853 1.532 1.00 3.40 O HETATM 1437 N4P COA A 87 24.660 4.555 -0.088 1.00 1.97 N HETATM 1438 C3P COA A 87 25.816 3.618 -0.111 1.00 2.07 C HETATM 1439 C2P COA A 87 26.585 3.979 -1.394 1.00 1.72 C HETATM 1440 S1P COA A 87 26.172 3.185 -2.974 1.00 1.35 S HETATM 0 HO2A COA A 87 18.901 5.686 -12.836 1.00 1.19 H new HETATM 0 H62A COA A 87 16.492 5.286 -4.435 1.00 0.80 H new HETATM 0 H61A COA A 87 15.920 3.639 -4.149 1.00 0.80 H new HETATM 0 H52A COA A 87 22.633 5.671 -8.590 1.00 1.60 H new HETATM 0 H51A COA A 87 22.964 6.873 -9.821 1.00 1.60 H new HETATM 0 H143 COA A 87 22.518 6.158 -4.238 1.00 2.19 H new HETATM 0 H142 COA A 87 22.881 5.974 -5.971 1.00 2.19 H new HETATM 0 H141 COA A 87 23.842 5.090 -4.762 1.00 2.19 H new HETATM 0 H133 COA A 87 24.796 6.942 -6.950 1.00 2.20 H new HETATM 0 H132 COA A 87 25.999 7.853 -6.006 1.00 2.20 H new HETATM 0 H131 COA A 87 25.868 6.088 -5.814 1.00 2.20 H new HETATM 0 H122 COA A 87 24.225 9.372 -5.138 1.00 2.73 H new HETATM 0 H121 COA A 87 22.776 8.696 -4.419 1.00 2.73 H new HETATM 0 HO1 COA A 87 26.634 6.145 -3.322 1.00 2.29 H new HETATM 0 HN8 COA A 87 24.214 5.564 -2.005 1.00 1.68 H new HETATM 0 HN4 COA A 87 23.881 4.393 -0.727 1.00 1.97 H new HETATM 0 H8A COA A 87 18.926 7.273 -8.285 1.00 0.75 H new HETATM 0 H72 COA A 87 21.834 7.011 -0.881 1.00 2.48 H new HETATM 0 H71 COA A 87 22.113 5.282 -0.815 1.00 2.48 H new HETATM 0 H62 COA A 87 23.619 7.472 0.709 1.00 2.82 H new HETATM 0 H61 COA A 87 22.669 6.171 1.399 1.00 2.82 H new HETATM 0 H4B COA A 87 22.249 4.831 -10.887 1.00 1.62 H new HETATM 0 H3B COA A 87 21.066 7.310 -11.514 1.00 1.22 H new HETATM 0 H32 COA A 87 26.442 3.739 0.773 1.00 2.07 H new HETATM 0 H31 COA A 87 25.484 2.580 -0.127 1.00 2.07 H new HETATM 0 H2B COA A 87 19.010 7.159 -10.445 1.00 1.18 H new HETATM 0 H2A COA A 87 16.933 1.172 -7.642 1.00 0.40 H new HETATM 0 H22 COA A 87 26.482 5.054 -1.538 1.00 1.72 H new HETATM 0 H21 COA A 87 27.640 3.783 -1.202 1.00 1.72 H new HETATM 0 H1B COA A 87 18.617 4.281 -10.656 1.00 1.30 H new HETATM 0 H10 COA A 87 25.715 8.060 -3.330 1.00 1.24 H new HETATM 1472 C1 PLM A 88 24.363 3.086 -2.944 1.00 1.02 C HETATM 1473 O2 PLM A 88 23.627 3.896 -2.419 1.00 1.26 O HETATM 1474 C2 PLM A 88 23.807 1.856 -3.676 1.00 0.75 C HETATM 1475 C3 PLM A 88 22.433 1.420 -3.058 1.00 0.78 C HETATM 1476 C4 PLM A 88 21.653 0.358 -3.970 1.00 0.70 C HETATM 1477 C5 PLM A 88 21.733 0.620 -5.442 1.00 0.66 C HETATM 1478 C6 PLM A 88 20.921 1.864 -5.825 1.00 1.64 C HETATM 1479 C7 PLM A 88 21.017 1.960 -7.344 1.00 1.36 C HETATM 1480 C8 PLM A 88 22.428 2.423 -7.774 1.00 2.06 C HETATM 1481 C9 PLM A 88 22.634 2.073 -9.259 1.00 0.47 C HETATM 1482 CA PLM A 88 24.022 2.625 -9.690 1.00 0.81 C HETATM 1483 CB PLM A 88 24.483 1.930 -10.996 1.00 1.82 C HETATM 1484 CC PLM A 88 24.925 0.475 -10.694 1.00 0.43 C HETATM 1485 CD PLM A 88 24.551 -0.382 -11.917 1.00 0.80 C HETATM 1486 CE PLM A 88 24.797 -1.850 -11.616 1.00 0.44 C HETATM 1487 CF PLM A 88 26.229 -2.297 -12.004 1.00 0.19 C HETATM 1488 CG PLM A 88 26.086 -3.280 -13.151 1.00 0.56 C HETATM 0 HG3 PLM A 88 25.489 -4.133 -12.827 1.00 0.56 H new HETATM 0 HG2 PLM A 88 25.593 -2.790 -13.991 1.00 0.56 H new HETATM 0 HG1 PLM A 88 27.073 -3.624 -13.460 1.00 0.56 H new HETATM 0 HF2 PLM A 88 26.834 -1.441 -12.302 1.00 0.19 H new HETATM 0 HF1 PLM A 88 26.732 -2.763 -11.156 1.00 0.19 H new HETATM 0 HE2 PLM A 88 24.637 -2.033 -10.553 1.00 0.44 H new HETATM 0 HE1 PLM A 88 24.070 -2.456 -12.157 1.00 0.44 H new HETATM 0 HD2 PLM A 88 23.504 -0.225 -12.175 1.00 0.80 H new HETATM 0 HD1 PLM A 88 25.141 -0.075 -12.781 1.00 0.80 H new HETATM 0 HC2 PLM A 88 25.998 0.431 -10.508 1.00 0.43 H new HETATM 0 HC1 PLM A 88 24.430 0.102 -9.798 1.00 0.43 H new HETATM 0 HB2 PLM A 88 23.671 1.929 -11.723 1.00 1.82 H new HETATM 0 HB1 PLM A 88 25.309 2.485 -11.441 1.00 1.82 H new HETATM 0 HA2 PLM A 88 23.963 3.703 -9.842 1.00 0.81 H new HETATM 0 HA1 PLM A 88 24.753 2.454 -8.899 1.00 0.81 H new HETATM 0 H92 PLM A 88 22.590 0.994 -9.407 1.00 0.47 H new HETATM 0 H91 PLM A 88 21.843 2.511 -9.868 1.00 0.47 H new HETATM 0 H82 PLM A 88 22.536 3.497 -7.621 1.00 2.06 H new HETATM 0 H81 PLM A 88 23.188 1.936 -7.163 1.00 2.06 H new HETATM 0 H72 PLM A 88 20.796 0.990 -7.789 1.00 1.36 H new HETATM 0 H71 PLM A 88 20.270 2.660 -7.717 1.00 1.36 H new HETATM 0 H62 PLM A 88 19.884 1.771 -5.502 1.00 1.64 H new HETATM 0 H61 PLM A 88 21.324 2.758 -5.349 1.00 1.64 H new HETATM 0 H52 PLM A 88 22.774 0.757 -5.734 1.00 0.66 H new HETATM 0 H51 PLM A 88 21.359 -0.245 -5.990 1.00 0.66 H new HETATM 0 H42 PLM A 88 22.053 -0.636 -3.769 1.00 0.70 H new HETATM 0 H41 PLM A 88 20.604 0.346 -3.673 1.00 0.70 H new HETATM 0 H32 PLM A 88 22.604 0.989 -2.071 1.00 0.78 H new HETATM 0 H31 PLM A 88 21.807 2.301 -2.917 1.00 0.78 H new HETATM 0 H22 PLM A 88 23.680 2.083 -4.735 1.00 0.75 H new HETATM 0 H21 PLM A 88 24.519 1.034 -3.609 1.00 0.75 H new