USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 701 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 17 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.89 USER MOD Set 2.1: A 38 THR OG1 : rot -40:sc= 1.12 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 6 ASN : amide:sc= 0.0667 K(o=0.63,f=-0.79) USER MOD Set 3.2: A 25 SER OG : rot -16:sc= 0.562 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0986) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -99:sc= 0.968 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0373 (180deg=-0.21) USER MOD Single : A 18 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.3!) USER MOD Single : A 21 MET CE :methyl -153:sc= -3.74! (180deg=-4.19!) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -1.85 (180deg=-3.14!) USER MOD Single : A 29 HIS : no HD1:sc=-0.000451 K(o=-0.00045,f=-0.69) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -88:sc= 0.803 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0572 (180deg=-0.329) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.171 (180deg=-0.877) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -3.03! (180deg=-4.13!) USER MOD Single : A 86 TYR OH : rot 165:sc= -0.838 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.353 -7.071 -5.843 1.00 0.27 N ATOM 68 CA ASN A 6 -3.674 -7.694 -5.853 1.00 0.24 C ATOM 69 C ASN A 6 -4.755 -6.678 -5.479 1.00 0.24 C ATOM 70 O ASN A 6 -4.863 -6.295 -4.318 1.00 0.25 O ATOM 71 CB ASN A 6 -3.708 -8.869 -4.872 1.00 0.28 C ATOM 72 CG ASN A 6 -2.624 -9.891 -5.158 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.510 -9.791 -4.646 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.948 -10.882 -5.980 1.00 0.87 N ATOM 0 HA ASN A 6 -3.872 -8.059 -6.861 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.591 -8.494 -3.855 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.683 -9.353 -4.923 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.261 -11.600 -6.209 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.884 -10.926 -6.382 1.00 0.87 H new ATOM 81 N PRO A 7 -5.587 -6.241 -6.447 1.00 0.25 N ATOM 82 CA PRO A 7 -6.645 -5.256 -6.187 1.00 0.26 C ATOM 83 C PRO A 7 -7.656 -5.753 -5.165 1.00 0.26 C ATOM 84 O PRO A 7 -8.498 -4.993 -4.690 1.00 0.26 O ATOM 85 CB PRO A 7 -7.310 -5.057 -7.555 1.00 0.28 C ATOM 86 CG PRO A 7 -6.329 -5.579 -8.548 1.00 0.43 C ATOM 87 CD PRO A 7 -5.589 -6.681 -7.853 1.00 0.29 C ATOM 0 HA PRO A 7 -6.244 -4.334 -5.765 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.255 -5.596 -7.615 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.531 -4.005 -7.736 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.835 -5.950 -9.439 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.646 -4.794 -8.872 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.088 -7.642 -7.975 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.577 -6.796 -8.242 1.00 0.29 H new ATOM 95 N LYS A 8 -7.583 -7.034 -4.837 1.00 0.30 N ATOM 96 CA LYS A 8 -8.486 -7.610 -3.853 1.00 0.33 C ATOM 97 C LYS A 8 -8.009 -7.270 -2.449 1.00 0.27 C ATOM 98 O LYS A 8 -8.778 -6.796 -1.613 1.00 0.26 O ATOM 99 CB LYS A 8 -8.583 -9.128 -4.025 1.00 0.43 C ATOM 100 CG LYS A 8 -8.976 -9.559 -5.429 1.00 0.77 C ATOM 101 CD LYS A 8 -7.761 -9.689 -6.333 1.00 0.59 C ATOM 102 CE LYS A 8 -8.064 -9.220 -7.746 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.246 -9.918 -8.324 1.00 1.39 N ATOM 0 H LYS A 8 -6.912 -7.691 -5.235 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.478 -7.186 -4.006 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.622 -9.576 -3.772 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.313 -9.519 -3.316 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.501 -10.513 -5.384 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.670 -8.833 -5.853 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.937 -9.104 -5.923 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.433 -10.728 -6.356 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.245 -8.145 -7.740 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.195 -9.394 -8.380 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.308 -9.712 -9.341 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -9.146 -10.944 -8.184 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.111 -9.587 -7.850 1.00 1.39 H new ATOM 117 N SER A 9 -6.728 -7.520 -2.203 1.00 0.26 N ATOM 118 CA SER A 9 -6.123 -7.246 -0.908 1.00 0.26 C ATOM 119 C SER A 9 -5.840 -5.759 -0.729 1.00 0.19 C ATOM 120 O SER A 9 -5.991 -5.217 0.367 1.00 0.23 O ATOM 121 CB SER A 9 -4.831 -8.050 -0.754 1.00 0.33 C ATOM 122 OG SER A 9 -5.098 -9.440 -0.682 1.00 0.71 O ATOM 0 H SER A 9 -6.086 -7.915 -2.890 1.00 0.26 H new ATOM 0 HA SER A 9 -6.830 -7.547 -0.135 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.171 -7.847 -1.597 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.306 -7.731 0.146 1.00 0.33 H new ATOM 0 HG SER A 9 -4.255 -9.930 -0.586 1.00 0.71 H new ATOM 128 N LEU A 10 -5.429 -5.105 -1.808 1.00 0.15 N ATOM 129 CA LEU A 10 -5.117 -3.685 -1.768 1.00 0.20 C ATOM 130 C LEU A 10 -6.360 -2.852 -1.495 1.00 0.19 C ATOM 131 O LEU A 10 -6.269 -1.643 -1.288 1.00 0.27 O ATOM 132 CB LEU A 10 -4.491 -3.249 -3.088 1.00 0.24 C ATOM 133 CG LEU A 10 -3.225 -4.009 -3.479 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.842 -3.705 -4.912 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.092 -3.658 -2.535 1.00 0.50 C ATOM 0 H LEU A 10 -5.304 -5.538 -2.723 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.409 -3.522 -0.955 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.229 -3.369 -3.881 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.256 -2.186 -3.029 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.422 -5.078 -3.401 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.938 -4.256 -5.172 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.653 -4.004 -5.577 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.659 -2.636 -5.021 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.195 -4.206 -2.824 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.895 -2.587 -2.585 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.370 -3.928 -1.516 1.00 0.50 H new ATOM 147 N THR A 11 -7.522 -3.488 -1.494 1.00 0.14 N ATOM 148 CA THR A 11 -8.759 -2.760 -1.253 1.00 0.18 C ATOM 149 C THR A 11 -9.605 -3.431 -0.179 1.00 0.15 C ATOM 150 O THR A 11 -10.803 -3.171 -0.067 1.00 0.18 O ATOM 151 CB THR A 11 -9.580 -2.620 -2.546 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.266 -3.846 -2.824 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.679 -2.263 -3.723 1.00 0.35 C ATOM 0 H THR A 11 -7.635 -4.489 -1.654 1.00 0.14 H new ATOM 0 HA THR A 11 -8.479 -1.767 -0.901 1.00 0.18 H new ATOM 0 HB THR A 11 -10.306 -1.819 -2.405 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.763 -4.359 -3.490 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.281 -2.169 -4.627 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.176 -1.317 -3.522 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.935 -3.047 -3.863 1.00 0.35 H new ATOM 161 N ASP A 12 -8.974 -4.294 0.609 1.00 0.11 N ATOM 162 CA ASP A 12 -9.664 -4.987 1.683 1.00 0.12 C ATOM 163 C ASP A 12 -9.162 -4.447 3.016 1.00 0.11 C ATOM 164 O ASP A 12 -8.000 -4.652 3.365 1.00 0.10 O ATOM 165 CB ASP A 12 -9.428 -6.495 1.591 1.00 0.14 C ATOM 166 CG ASP A 12 -10.426 -7.287 2.412 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.554 -7.509 1.923 1.00 0.57 O ATOM 168 OD2 ASP A 12 -10.082 -7.687 3.543 1.00 0.51 O ATOM 0 H ASP A 12 -7.985 -4.529 0.522 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.737 -4.814 1.599 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.490 -6.807 0.548 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.418 -6.724 1.932 1.00 0.14 H new ATOM 173 N PRO A 13 -10.023 -3.749 3.781 1.00 0.11 N ATOM 174 CA PRO A 13 -9.638 -3.153 5.061 1.00 0.11 C ATOM 175 C PRO A 13 -8.801 -4.071 5.944 1.00 0.12 C ATOM 176 O PRO A 13 -8.116 -3.602 6.850 1.00 0.13 O ATOM 177 CB PRO A 13 -10.982 -2.856 5.717 1.00 0.12 C ATOM 178 CG PRO A 13 -11.867 -2.536 4.570 1.00 0.12 C ATOM 179 CD PRO A 13 -11.437 -3.461 3.459 1.00 0.11 C ATOM 0 HA PRO A 13 -9.001 -2.281 4.917 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.351 -3.713 6.281 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.912 -2.021 6.414 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.915 -2.692 4.827 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.764 -1.492 4.274 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.038 -4.370 3.438 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.539 -2.989 2.482 1.00 0.11 H new ATOM 187 N LYS A 14 -8.860 -5.374 5.698 1.00 0.13 N ATOM 188 CA LYS A 14 -8.079 -6.316 6.490 1.00 0.15 C ATOM 189 C LYS A 14 -6.596 -5.991 6.346 1.00 0.13 C ATOM 190 O LYS A 14 -5.882 -5.821 7.334 1.00 0.16 O ATOM 191 CB LYS A 14 -8.353 -7.756 6.051 1.00 0.18 C ATOM 192 CG LYS A 14 -8.214 -8.781 7.172 1.00 0.34 C ATOM 193 CD LYS A 14 -6.820 -8.774 7.787 1.00 0.60 C ATOM 194 CE LYS A 14 -5.753 -9.126 6.764 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.971 -10.476 6.172 1.00 1.37 N ATOM 0 H LYS A 14 -9.432 -5.798 4.967 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.370 -6.224 7.536 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.361 -7.815 5.641 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.666 -8.017 5.246 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.952 -8.573 7.946 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.433 -9.775 6.782 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.612 -7.789 8.206 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.782 -9.486 8.612 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.751 -8.378 5.971 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.772 -9.092 7.237 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.125 -10.762 5.639 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.151 -11.163 6.932 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.790 -10.446 5.532 1.00 1.37 H new ATOM 209 N LEU A 15 -6.148 -5.907 5.099 1.00 0.09 N ATOM 210 CA LEU A 15 -4.761 -5.588 4.792 1.00 0.08 C ATOM 211 C LEU A 15 -4.479 -4.117 5.041 1.00 0.08 C ATOM 212 O LEU A 15 -3.485 -3.756 5.660 1.00 0.09 O ATOM 213 CB LEU A 15 -4.463 -5.898 3.323 1.00 0.08 C ATOM 214 CG LEU A 15 -4.467 -7.374 2.933 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.496 -8.137 3.807 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.866 -7.963 3.035 1.00 0.12 C ATOM 0 H LEU A 15 -6.733 -6.057 4.277 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.127 -6.194 5.440 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.197 -5.379 2.707 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.487 -5.481 3.076 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.149 -7.461 1.894 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.502 -9.190 3.525 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.493 -7.732 3.675 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.792 -8.039 4.851 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.839 -9.015 2.752 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.225 -7.872 4.060 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.537 -7.424 2.366 1.00 0.12 H new ATOM 228 N LEU A 16 -5.368 -3.279 4.537 1.00 0.10 N ATOM 229 CA LEU A 16 -5.234 -1.838 4.664 1.00 0.12 C ATOM 230 C LEU A 16 -4.990 -1.426 6.116 1.00 0.16 C ATOM 231 O LEU A 16 -4.082 -0.644 6.400 1.00 0.27 O ATOM 232 CB LEU A 16 -6.488 -1.170 4.102 1.00 0.10 C ATOM 233 CG LEU A 16 -6.978 -1.769 2.779 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.376 -1.274 2.446 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.006 -1.442 1.652 1.00 0.18 C ATOM 0 H LEU A 16 -6.201 -3.577 4.029 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.365 -1.509 4.094 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.287 -1.244 4.840 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.286 -0.109 3.955 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.022 -2.852 2.890 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.702 -1.713 1.503 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.064 -1.566 3.239 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.366 -0.188 2.357 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.370 -1.875 0.720 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.926 -0.360 1.542 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.025 -1.856 1.886 1.00 0.18 H new ATOM 247 N LYS A 17 -5.800 -1.950 7.032 1.00 0.14 N ATOM 248 CA LYS A 17 -5.642 -1.643 8.450 1.00 0.17 C ATOM 249 C LYS A 17 -4.365 -2.281 8.983 1.00 0.18 C ATOM 250 O LYS A 17 -3.784 -1.822 9.967 1.00 0.22 O ATOM 251 CB LYS A 17 -6.844 -2.148 9.248 1.00 0.19 C ATOM 252 CG LYS A 17 -8.147 -1.456 8.899 1.00 0.20 C ATOM 253 CD LYS A 17 -9.326 -2.139 9.568 1.00 0.24 C ATOM 254 CE LYS A 17 -10.585 -1.300 9.466 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.731 -1.932 10.173 1.00 0.88 N ATOM 0 H LYS A 17 -6.569 -2.586 6.819 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.578 -0.561 8.563 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.956 -3.219 9.079 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.645 -2.012 10.311 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.103 -0.412 9.211 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.286 -1.460 7.818 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.496 -3.111 9.104 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.094 -2.323 10.617 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.398 -0.312 9.888 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.841 -1.155 8.416 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.613 -1.453 9.901 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.788 -2.937 9.912 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.594 -1.848 11.201 1.00 0.88 H new ATOM 269 N ASN A 18 -3.940 -3.347 8.315 1.00 0.14 N ATOM 270 CA ASN A 18 -2.733 -4.071 8.688 1.00 0.15 C ATOM 271 C ASN A 18 -1.696 -3.918 7.586 1.00 0.13 C ATOM 272 O ASN A 18 -1.353 -4.886 6.915 1.00 0.11 O ATOM 273 CB ASN A 18 -3.060 -5.555 8.893 1.00 0.16 C ATOM 274 CG ASN A 18 -2.147 -6.228 9.899 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.515 -5.568 10.724 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.089 -7.554 9.843 1.00 0.53 N ATOM 0 H ASN A 18 -4.421 -3.732 7.502 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.337 -3.665 9.619 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.093 -5.651 9.227 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.984 -6.074 7.937 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.503 -8.067 10.501 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.631 -8.059 9.142 1.00 0.53 H new ATOM 283 N ILE A 19 -1.210 -2.688 7.404 1.00 0.13 N ATOM 284 CA ILE A 19 -0.228 -2.389 6.362 1.00 0.12 C ATOM 285 C ILE A 19 0.789 -3.518 6.181 1.00 0.10 C ATOM 286 O ILE A 19 1.042 -3.929 5.053 1.00 0.09 O ATOM 287 CB ILE A 19 0.501 -1.053 6.616 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.439 0.132 6.353 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.742 -0.945 5.739 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.975 0.194 4.932 1.00 0.49 C ATOM 0 H ILE A 19 -1.482 -1.882 7.967 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.796 -2.296 5.436 1.00 0.12 H new ATOM 0 HB ILE A 19 0.811 -1.027 7.661 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.279 0.076 7.045 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.092 1.059 6.571 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.243 0.004 5.932 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.421 -1.767 5.967 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.451 -0.995 4.690 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.631 1.059 4.828 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.143 0.283 4.233 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.536 -0.715 4.715 1.00 0.49 H new ATOM 302 N PRO A 20 1.420 -4.023 7.261 1.00 0.12 N ATOM 303 CA PRO A 20 2.367 -5.132 7.139 1.00 0.12 C ATOM 304 C PRO A 20 1.771 -6.246 6.288 1.00 0.11 C ATOM 305 O PRO A 20 2.373 -6.709 5.321 1.00 0.14 O ATOM 306 CB PRO A 20 2.537 -5.599 8.580 1.00 0.14 C ATOM 307 CG PRO A 20 2.330 -4.367 9.389 1.00 0.15 C ATOM 308 CD PRO A 20 1.293 -3.556 8.657 1.00 0.14 C ATOM 0 HA PRO A 20 3.306 -4.849 6.663 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.811 -6.371 8.837 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.527 -6.024 8.747 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.992 -4.614 10.396 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.260 -3.808 9.493 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.292 -3.733 9.051 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.485 -2.486 8.742 1.00 0.14 H new ATOM 316 N MET A 21 0.567 -6.653 6.674 1.00 0.10 N ATOM 317 CA MET A 21 -0.184 -7.683 5.972 1.00 0.10 C ATOM 318 C MET A 21 -0.462 -7.219 4.542 1.00 0.08 C ATOM 319 O MET A 21 -0.385 -7.992 3.591 1.00 0.10 O ATOM 320 CB MET A 21 -1.488 -7.927 6.730 1.00 0.13 C ATOM 321 CG MET A 21 -2.070 -9.322 6.576 1.00 0.25 C ATOM 322 SD MET A 21 -1.653 -10.418 7.947 1.00 0.94 S ATOM 323 CE MET A 21 0.106 -10.633 7.702 1.00 0.54 C ATOM 0 H MET A 21 0.083 -6.274 7.488 1.00 0.10 H new ATOM 0 HA MET A 21 0.383 -8.613 5.925 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.316 -7.737 7.789 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.228 -7.202 6.392 1.00 0.13 H new ATOM 0 HG2 MET A 21 -3.154 -9.250 6.493 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.708 -9.760 5.646 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.416 -11.592 8.116 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.331 -10.608 6.636 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.644 -9.830 8.205 1.00 0.54 H new ATOM 333 N TRP A 22 -0.822 -5.948 4.410 1.00 0.06 N ATOM 334 CA TRP A 22 -1.061 -5.340 3.112 1.00 0.06 C ATOM 335 C TRP A 22 0.162 -5.538 2.226 1.00 0.06 C ATOM 336 O TRP A 22 0.048 -5.745 1.018 1.00 0.08 O ATOM 337 CB TRP A 22 -1.357 -3.852 3.315 1.00 0.07 C ATOM 338 CG TRP A 22 -1.736 -3.116 2.070 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.952 -3.121 1.453 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.895 -2.252 1.301 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.920 -2.312 0.345 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.667 -1.769 0.228 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.438 -1.840 1.412 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.155 -0.896 -0.728 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.947 -0.973 0.460 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.151 -0.510 -0.598 1.00 0.11 C ATOM 0 H TRP A 22 -0.955 -5.314 5.198 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.915 -5.808 2.622 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.164 -3.752 4.040 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.478 -3.376 3.749 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.814 -3.680 1.787 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.701 -2.142 -0.288 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.057 -2.191 2.224 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.766 -0.537 -1.542 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.974 -0.648 0.533 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.578 0.165 -1.325 1.00 0.11 H new ATOM 357 N LEU A 23 1.332 -5.467 2.850 1.00 0.06 N ATOM 358 CA LEU A 23 2.593 -5.657 2.162 1.00 0.08 C ATOM 359 C LEU A 23 2.848 -7.140 1.902 1.00 0.10 C ATOM 360 O LEU A 23 3.566 -7.496 0.969 1.00 0.13 O ATOM 361 CB LEU A 23 3.724 -5.064 2.995 1.00 0.09 C ATOM 362 CG LEU A 23 3.741 -3.534 3.059 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.757 -3.048 4.078 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.035 -2.943 1.690 1.00 0.10 C ATOM 0 H LEU A 23 1.428 -5.276 3.847 1.00 0.06 H new ATOM 0 HA LEU A 23 2.549 -5.147 1.200 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.652 -5.455 4.010 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.675 -5.407 2.587 1.00 0.09 H new ATOM 0 HG LEU A 23 2.753 -3.197 3.374 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.751 -1.958 4.106 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.500 -3.438 5.063 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.750 -3.399 3.797 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.043 -1.855 1.757 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.008 -3.292 1.344 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.265 -3.258 0.985 1.00 0.10 H new ATOM 376 N LYS A 24 2.267 -8.001 2.742 1.00 0.10 N ATOM 377 CA LYS A 24 2.407 -9.432 2.591 1.00 0.13 C ATOM 378 C LYS A 24 1.992 -9.858 1.186 1.00 0.13 C ATOM 379 O LYS A 24 2.665 -10.662 0.541 1.00 0.16 O ATOM 380 CB LYS A 24 1.508 -10.108 3.621 1.00 0.17 C ATOM 381 CG LYS A 24 2.208 -10.962 4.650 1.00 0.51 C ATOM 382 CD LYS A 24 3.398 -10.272 5.276 1.00 1.24 C ATOM 383 CE LYS A 24 2.984 -9.426 6.468 1.00 2.30 C ATOM 384 NZ LYS A 24 4.121 -8.650 7.030 1.00 3.29 N ATOM 0 H LYS A 24 1.693 -7.718 3.536 1.00 0.10 H new ATOM 0 HA LYS A 24 3.447 -9.722 2.744 1.00 0.13 H new ATOM 0 HB2 LYS A 24 0.942 -9.336 4.142 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.786 -10.730 3.092 1.00 0.17 H new ATOM 0 HG2 LYS A 24 1.499 -11.234 5.432 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.537 -11.890 4.182 1.00 0.51 H new ATOM 0 HD2 LYS A 24 4.128 -11.017 5.593 1.00 1.24 H new ATOM 0 HD3 LYS A 24 3.888 -9.642 4.533 1.00 1.24 H new ATOM 0 HE2 LYS A 24 2.192 -8.740 6.167 1.00 2.30 H new ATOM 0 HE3 LYS A 24 2.569 -10.071 7.242 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 3.879 -8.323 7.987 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.966 -9.255 7.075 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 4.315 -7.829 6.422 1.00 3.29 H new ATOM 398 N SER A 25 0.873 -9.306 0.723 1.00 0.13 N ATOM 399 CA SER A 25 0.354 -9.616 -0.604 1.00 0.15 C ATOM 400 C SER A 25 1.153 -8.892 -1.686 1.00 0.14 C ATOM 401 O SER A 25 0.973 -9.146 -2.878 1.00 0.20 O ATOM 402 CB SER A 25 -1.127 -9.234 -0.696 1.00 0.20 C ATOM 403 OG SER A 25 -1.623 -9.428 -2.008 1.00 0.96 O ATOM 0 H SER A 25 0.308 -8.640 1.250 1.00 0.13 H new ATOM 0 HA SER A 25 0.454 -10.689 -0.766 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.705 -9.834 0.007 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.255 -8.191 -0.406 1.00 0.20 H new ATOM 0 HG SER A 25 -0.872 -9.511 -2.633 1.00 0.96 H new ATOM 409 N LEU A 26 2.034 -7.989 -1.263 1.00 0.12 N ATOM 410 CA LEU A 26 2.862 -7.228 -2.194 1.00 0.13 C ATOM 411 C LEU A 26 4.320 -7.662 -2.111 1.00 0.16 C ATOM 412 O LEU A 26 5.175 -7.136 -2.824 1.00 0.28 O ATOM 413 CB LEU A 26 2.755 -5.732 -1.899 1.00 0.14 C ATOM 414 CG LEU A 26 1.332 -5.184 -1.898 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.323 -3.720 -1.484 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.696 -5.360 -3.268 1.00 0.66 C ATOM 0 H LEU A 26 2.193 -7.766 -0.280 1.00 0.12 H new ATOM 0 HA LEU A 26 2.498 -7.425 -3.202 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.207 -5.534 -0.927 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.340 -5.186 -2.640 1.00 0.14 H new ATOM 0 HG LEU A 26 0.745 -5.746 -1.172 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.299 -3.347 -1.489 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.739 -3.623 -0.481 1.00 0.38 H new ATOM 0 HD13 LEU A 26 1.924 -3.140 -2.184 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.319 -4.964 -3.251 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.283 -4.823 -4.013 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.668 -6.419 -3.523 1.00 0.66 H new ATOM 428 N ARG A 27 4.592 -8.615 -1.227 1.00 0.15 N ATOM 429 CA ARG A 27 5.945 -9.132 -1.041 1.00 0.21 C ATOM 430 C ARG A 27 6.888 -8.046 -0.534 1.00 0.21 C ATOM 431 O ARG A 27 8.103 -8.153 -0.681 1.00 0.35 O ATOM 432 CB ARG A 27 6.482 -9.725 -2.348 1.00 0.31 C ATOM 433 CG ARG A 27 6.096 -11.179 -2.561 1.00 1.11 C ATOM 434 CD ARG A 27 6.814 -12.090 -1.580 1.00 2.02 C ATOM 435 NE ARG A 27 8.264 -12.021 -1.735 1.00 2.71 N ATOM 436 CZ ARG A 27 9.118 -12.776 -1.049 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.669 -13.655 -0.163 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.424 -12.651 -1.248 1.00 4.34 N ATOM 0 H ARG A 27 3.891 -9.048 -0.625 1.00 0.15 H new ATOM 0 HA ARG A 27 5.896 -9.920 -0.289 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.111 -9.133 -3.185 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.569 -9.642 -2.355 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.018 -11.292 -2.444 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.339 -11.476 -3.581 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.544 -11.811 -0.561 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.481 -13.117 -1.728 1.00 2.02 H new ATOM 0 HE ARG A 27 8.644 -11.356 -2.408 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.666 -13.754 -0.006 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.327 -14.232 0.361 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.774 -11.976 -1.927 1.00 4.34 H new ATOM 0 HH22 ARG A 27 11.078 -13.230 -0.721 1.00 4.34 H new ATOM 452 N LEU A 28 6.316 -7.002 0.062 1.00 0.14 N ATOM 453 CA LEU A 28 7.097 -5.892 0.605 1.00 0.14 C ATOM 454 C LEU A 28 6.958 -5.832 2.111 1.00 0.13 C ATOM 455 O LEU A 28 7.171 -4.785 2.721 1.00 0.13 O ATOM 456 CB LEU A 28 6.651 -4.570 -0.023 1.00 0.16 C ATOM 457 CG LEU A 28 7.010 -4.420 -1.500 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.994 -3.546 -2.214 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.413 -3.856 -1.655 1.00 0.67 C ATOM 0 H LEU A 28 5.308 -6.901 0.182 1.00 0.14 H new ATOM 0 HA LEU A 28 8.146 -6.057 0.361 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.571 -4.476 0.087 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.101 -3.748 0.533 1.00 0.16 H new ATOM 0 HG LEU A 28 6.988 -5.408 -1.960 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.269 -3.452 -3.265 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.006 -3.999 -2.136 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.977 -2.558 -1.754 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.650 -3.757 -2.714 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.467 -2.878 -1.178 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.130 -4.529 -1.184 1.00 0.67 H new ATOM 471 N HIS A 29 6.582 -6.957 2.710 1.00 0.13 N ATOM 472 CA HIS A 29 6.474 -7.027 4.153 1.00 0.13 C ATOM 473 C HIS A 29 7.848 -6.754 4.727 1.00 0.12 C ATOM 474 O HIS A 29 8.021 -6.524 5.922 1.00 0.13 O ATOM 475 CB HIS A 29 5.973 -8.391 4.596 1.00 0.14 C ATOM 476 CG HIS A 29 6.771 -9.533 4.049 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.482 -10.141 2.846 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.854 -10.180 4.544 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.349 -11.112 2.625 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.193 -11.157 3.639 1.00 0.24 N ATOM 0 H HIS A 29 6.350 -7.821 2.220 1.00 0.13 H new ATOM 0 HA HIS A 29 5.755 -6.290 4.511 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.988 -8.438 5.685 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.934 -8.504 4.287 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.357 -9.967 5.476 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.365 -11.760 1.761 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.970 -11.811 3.735 1.00 0.24 H new ATOM 489 N LYS A 30 8.830 -6.823 3.837 1.00 0.12 N ATOM 490 CA LYS A 30 10.206 -6.535 4.170 1.00 0.12 C ATOM 491 C LYS A 30 10.273 -5.147 4.782 1.00 0.11 C ATOM 492 O LYS A 30 11.024 -4.888 5.722 1.00 0.17 O ATOM 493 CB LYS A 30 11.045 -6.591 2.895 1.00 0.15 C ATOM 494 CG LYS A 30 10.347 -6.023 1.679 1.00 0.28 C ATOM 495 CD LYS A 30 10.562 -6.902 0.468 1.00 0.59 C ATOM 496 CE LYS A 30 11.680 -6.357 -0.380 1.00 0.65 C ATOM 497 NZ LYS A 30 11.899 -7.164 -1.612 1.00 0.72 N ATOM 0 H LYS A 30 8.686 -7.082 2.861 1.00 0.12 H new ATOM 0 HA LYS A 30 10.592 -7.264 4.882 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.974 -6.044 3.058 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.317 -7.628 2.695 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.280 -5.929 1.879 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.723 -5.020 1.476 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.798 -7.918 0.785 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.645 -6.956 -0.118 1.00 0.59 H new ATOM 0 HE2 LYS A 30 11.454 -5.328 -0.658 1.00 0.65 H new ATOM 0 HE3 LYS A 30 12.599 -6.334 0.205 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.678 -6.751 -2.164 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.141 -8.141 -1.349 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.031 -7.165 -2.185 1.00 0.72 H new ATOM 511 N TYR A 31 9.460 -4.266 4.215 1.00 0.10 N ATOM 512 CA TYR A 31 9.355 -2.891 4.663 1.00 0.10 C ATOM 513 C TYR A 31 8.087 -2.692 5.478 1.00 0.11 C ATOM 514 O TYR A 31 7.539 -1.592 5.538 1.00 0.16 O ATOM 515 CB TYR A 31 9.360 -1.966 3.452 1.00 0.12 C ATOM 516 CG TYR A 31 10.591 -2.133 2.596 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.862 -1.932 3.121 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.483 -2.513 1.267 1.00 0.16 C ATOM 519 CE1 TYR A 31 12.991 -2.101 2.342 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.606 -2.687 0.482 1.00 0.20 C ATOM 521 CZ TYR A 31 12.858 -2.479 1.024 1.00 0.23 C ATOM 522 OH TYR A 31 13.977 -2.651 0.243 1.00 0.28 O ATOM 0 H TYR A 31 8.853 -4.490 3.427 1.00 0.10 H new ATOM 0 HA TYR A 31 10.207 -2.655 5.301 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.474 -2.160 2.848 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.295 -0.932 3.790 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.969 -1.639 4.155 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.505 -2.676 0.839 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.972 -1.938 2.764 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.505 -2.984 -0.551 1.00 0.20 H new ATOM 0 HH TYR A 31 13.707 -2.919 -0.660 1.00 0.28 H new ATOM 532 N SER A 32 7.625 -3.769 6.107 1.00 0.10 N ATOM 533 CA SER A 32 6.419 -3.715 6.919 1.00 0.12 C ATOM 534 C SER A 32 6.619 -2.791 8.104 1.00 0.13 C ATOM 535 O SER A 32 5.770 -1.960 8.392 1.00 0.16 O ATOM 536 CB SER A 32 6.025 -5.111 7.408 1.00 0.13 C ATOM 537 OG SER A 32 7.018 -5.653 8.261 1.00 1.30 O ATOM 0 H SER A 32 8.068 -4.687 6.069 1.00 0.10 H new ATOM 0 HA SER A 32 5.613 -3.326 6.297 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.075 -5.059 7.939 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.877 -5.771 6.553 1.00 0.13 H new ATOM 0 HG SER A 32 7.685 -6.131 7.725 1.00 1.30 H new ATOM 543 N ASP A 33 7.744 -2.941 8.785 1.00 0.12 N ATOM 544 CA ASP A 33 8.055 -2.117 9.934 1.00 0.14 C ATOM 545 C ASP A 33 8.183 -0.645 9.546 1.00 0.14 C ATOM 546 O ASP A 33 7.780 0.243 10.297 1.00 0.20 O ATOM 547 CB ASP A 33 9.352 -2.607 10.562 1.00 0.17 C ATOM 548 CG ASP A 33 9.218 -3.991 11.164 1.00 1.10 C ATOM 549 OD1 ASP A 33 8.741 -4.094 12.313 1.00 1.00 O ATOM 550 OD2 ASP A 33 9.587 -4.973 10.486 1.00 2.21 O ATOM 0 H ASP A 33 8.459 -3.632 8.557 1.00 0.12 H new ATOM 0 HA ASP A 33 7.239 -2.199 10.652 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.137 -2.618 9.806 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.665 -1.906 11.336 1.00 0.17 H new ATOM 555 N ALA A 34 8.743 -0.397 8.366 1.00 0.12 N ATOM 556 CA ALA A 34 8.937 0.965 7.876 1.00 0.13 C ATOM 557 C ALA A 34 7.644 1.574 7.354 1.00 0.12 C ATOM 558 O ALA A 34 7.457 2.790 7.397 1.00 0.15 O ATOM 559 CB ALA A 34 9.997 0.981 6.786 1.00 0.15 C ATOM 0 H ALA A 34 9.071 -1.123 7.729 1.00 0.12 H new ATOM 0 HA ALA A 34 9.269 1.572 8.718 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.134 2.001 6.427 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.939 0.608 7.189 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.679 0.345 5.960 1.00 0.15 H new ATOM 565 N LEU A 35 6.747 0.726 6.878 1.00 0.10 N ATOM 566 CA LEU A 35 5.483 1.188 6.322 1.00 0.09 C ATOM 567 C LEU A 35 4.313 0.979 7.285 1.00 0.09 C ATOM 568 O LEU A 35 3.224 1.505 7.065 1.00 0.12 O ATOM 569 CB LEU A 35 5.215 0.459 5.001 1.00 0.09 C ATOM 570 CG LEU A 35 5.829 1.085 3.734 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.934 2.098 4.052 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.345 -0.011 2.799 1.00 0.14 C ATOM 0 H LEU A 35 6.870 -0.287 6.865 1.00 0.10 H new ATOM 0 HA LEU A 35 5.566 2.261 6.150 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.588 -0.561 5.093 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.136 0.393 4.861 1.00 0.09 H new ATOM 0 HG LEU A 35 5.037 1.639 3.231 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.331 2.507 3.123 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.524 2.906 4.658 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.735 1.603 4.601 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.776 0.445 1.908 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.107 -0.598 3.312 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.519 -0.662 2.511 1.00 0.14 H new ATOM 584 N SER A 36 4.543 0.227 8.358 1.00 0.10 N ATOM 585 CA SER A 36 3.488 -0.047 9.331 1.00 0.10 C ATOM 586 C SER A 36 3.079 1.222 10.066 1.00 0.10 C ATOM 587 O SER A 36 1.891 1.483 10.260 1.00 0.11 O ATOM 588 CB SER A 36 3.938 -1.103 10.344 1.00 0.13 C ATOM 589 OG SER A 36 2.963 -1.287 11.355 1.00 0.95 O ATOM 0 H SER A 36 5.443 -0.201 8.575 1.00 0.10 H new ATOM 0 HA SER A 36 2.628 -0.428 8.780 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.119 -2.048 9.833 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.882 -0.799 10.796 1.00 0.13 H new ATOM 0 HG SER A 36 3.273 -1.967 11.989 1.00 0.95 H new ATOM 595 N GLY A 37 4.072 2.007 10.480 1.00 0.12 N ATOM 596 CA GLY A 37 3.797 3.244 11.188 1.00 0.13 C ATOM 597 C GLY A 37 2.907 4.172 10.389 1.00 0.12 C ATOM 598 O GLY A 37 2.405 5.169 10.910 1.00 0.15 O ATOM 0 H GLY A 37 5.062 1.807 10.337 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.320 3.017 12.142 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.736 3.749 11.414 1.00 0.13 H new ATOM 602 N THR A 38 2.712 3.838 9.118 1.00 0.08 N ATOM 603 CA THR A 38 1.877 4.631 8.234 1.00 0.08 C ATOM 604 C THR A 38 0.674 3.816 7.756 1.00 0.07 C ATOM 605 O THR A 38 0.840 2.711 7.254 1.00 0.08 O ATOM 606 CB THR A 38 2.678 5.115 7.011 1.00 0.09 C ATOM 607 OG1 THR A 38 3.886 5.747 7.442 1.00 0.11 O ATOM 608 CG2 THR A 38 1.861 6.094 6.187 1.00 0.11 C ATOM 0 H THR A 38 3.126 3.016 8.678 1.00 0.08 H new ATOM 0 HA THR A 38 1.528 5.496 8.797 1.00 0.08 H new ATOM 0 HB THR A 38 2.917 4.250 6.392 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.705 6.292 8.236 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.446 6.423 5.328 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.950 5.606 5.840 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.600 6.956 6.800 1.00 0.11 H new ATOM 616 N PRO A 39 -0.557 4.346 7.914 1.00 0.07 N ATOM 617 CA PRO A 39 -1.789 3.657 7.489 1.00 0.08 C ATOM 618 C PRO A 39 -1.867 3.524 5.979 1.00 0.07 C ATOM 619 O PRO A 39 -0.964 3.964 5.277 1.00 0.07 O ATOM 620 CB PRO A 39 -2.899 4.587 7.980 1.00 0.09 C ATOM 621 CG PRO A 39 -2.246 5.918 8.013 1.00 0.09 C ATOM 622 CD PRO A 39 -0.859 5.655 8.511 1.00 0.09 C ATOM 0 HA PRO A 39 -1.849 2.643 7.885 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.757 4.577 7.308 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.262 4.294 8.965 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.230 6.375 7.024 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.779 6.603 8.672 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.157 6.423 8.185 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.816 5.625 9.600 1.00 0.09 H new ATOM 630 N TRP A 40 -2.941 2.920 5.473 1.00 0.07 N ATOM 631 CA TRP A 40 -3.093 2.775 4.033 1.00 0.07 C ATOM 632 C TRP A 40 -3.417 4.117 3.406 1.00 0.07 C ATOM 633 O TRP A 40 -2.786 4.517 2.439 1.00 0.07 O ATOM 634 CB TRP A 40 -4.166 1.747 3.662 1.00 0.08 C ATOM 635 CG TRP A 40 -5.572 2.170 3.975 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.210 2.084 5.180 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.520 2.732 3.058 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.498 2.556 5.066 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.708 2.965 3.775 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.479 3.066 1.700 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.843 3.511 3.182 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.606 3.609 1.113 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.773 3.829 1.853 1.00 0.21 C ATOM 0 H TRP A 40 -3.703 2.531 6.029 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.144 2.408 3.642 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.093 1.535 2.595 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.955 0.816 4.188 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.769 1.702 6.089 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.184 2.595 5.820 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.582 2.902 1.121 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.746 3.678 3.750 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.586 3.868 0.065 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.636 4.258 1.365 1.00 0.21 H new ATOM 654 N ILE A 41 -4.388 4.819 3.981 1.00 0.08 N ATOM 655 CA ILE A 41 -4.797 6.117 3.466 1.00 0.09 C ATOM 656 C ILE A 41 -3.590 7.024 3.254 1.00 0.07 C ATOM 657 O ILE A 41 -3.614 7.923 2.414 1.00 0.08 O ATOM 658 CB ILE A 41 -5.799 6.814 4.409 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.668 7.794 3.621 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.075 7.527 5.546 1.00 0.12 C ATOM 661 CD1 ILE A 41 -7.997 7.207 3.203 1.00 0.45 C ATOM 0 H ILE A 41 -4.905 4.509 4.804 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.287 5.938 2.509 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.443 6.053 4.851 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.845 8.682 4.228 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.125 8.118 2.733 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.805 8.010 6.196 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.500 6.802 6.122 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.402 8.279 5.134 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.566 7.953 2.648 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.827 6.336 2.571 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.558 6.909 4.089 1.00 0.45 H new ATOM 673 N GLU A 42 -2.533 6.780 4.026 1.00 0.07 N ATOM 674 CA GLU A 42 -1.314 7.567 3.913 1.00 0.06 C ATOM 675 C GLU A 42 -0.314 6.831 3.033 1.00 0.06 C ATOM 676 O GLU A 42 0.424 7.441 2.262 1.00 0.07 O ATOM 677 CB GLU A 42 -0.721 7.837 5.294 1.00 0.07 C ATOM 678 CG GLU A 42 -1.529 8.823 6.121 1.00 0.09 C ATOM 679 CD GLU A 42 -1.609 10.195 5.480 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.647 10.977 5.628 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.634 10.486 4.828 1.00 2.15 O ATOM 0 H GLU A 42 -2.499 6.046 4.733 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.550 8.528 3.455 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.645 6.896 5.838 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.293 8.219 5.176 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.537 8.433 6.262 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.081 8.914 7.111 1.00 0.09 H new ATOM 688 N LEU A 43 -0.307 5.508 3.164 1.00 0.06 N ATOM 689 CA LEU A 43 0.565 4.653 2.370 1.00 0.07 C ATOM 690 C LEU A 43 0.301 4.907 0.898 1.00 0.08 C ATOM 691 O LEU A 43 1.190 5.281 0.136 1.00 0.10 O ATOM 692 CB LEU A 43 0.275 3.190 2.688 1.00 0.08 C ATOM 693 CG LEU A 43 1.440 2.381 3.264 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.558 2.263 2.250 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.957 3.017 4.538 1.00 0.09 C ATOM 0 H LEU A 43 -0.902 5.002 3.820 1.00 0.06 H new ATOM 0 HA LEU A 43 1.606 4.875 2.604 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.553 3.151 3.396 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.063 2.701 1.774 1.00 0.08 H new ATOM 0 HG LEU A 43 1.074 1.382 3.499 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.377 1.685 2.677 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.187 1.761 1.356 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.916 3.258 1.985 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.784 2.426 4.930 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.303 4.029 4.325 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.156 3.055 5.277 1.00 0.09 H new ATOM 707 N ILE A 44 -0.952 4.690 0.522 1.00 0.09 N ATOM 708 CA ILE A 44 -1.417 4.896 -0.835 1.00 0.10 C ATOM 709 C ILE A 44 -1.163 6.327 -1.301 1.00 0.10 C ATOM 710 O ILE A 44 -1.278 6.634 -2.486 1.00 0.15 O ATOM 711 CB ILE A 44 -2.923 4.588 -0.929 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.737 5.614 -0.131 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.186 3.186 -0.405 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.213 5.631 -0.467 1.00 0.20 C ATOM 0 H ILE A 44 -1.678 4.363 1.160 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.860 4.219 -1.483 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.232 4.648 -1.973 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.620 5.406 0.933 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.324 6.607 -0.309 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.252 2.967 -0.471 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.629 2.464 -1.002 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.866 3.120 0.635 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.716 6.383 0.141 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.343 5.871 -1.522 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.644 4.651 -0.262 1.00 0.20 H new ATOM 726 N TYR A 45 -0.817 7.200 -0.360 1.00 0.08 N ATOM 727 CA TYR A 45 -0.553 8.600 -0.678 1.00 0.08 C ATOM 728 C TYR A 45 0.945 8.904 -0.669 1.00 0.08 C ATOM 729 O TYR A 45 1.368 9.963 -1.135 1.00 0.10 O ATOM 730 CB TYR A 45 -1.279 9.517 0.311 1.00 0.10 C ATOM 731 CG TYR A 45 -2.726 9.815 -0.044 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.464 8.977 -0.880 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.358 10.938 0.474 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.785 9.256 -1.186 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.676 11.223 0.170 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.384 10.380 -0.659 1.00 0.16 C ATOM 737 OH TYR A 45 -6.697 10.661 -0.960 1.00 0.19 O ATOM 0 H TYR A 45 -0.713 6.964 0.627 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.929 8.787 -1.684 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.249 9.059 1.300 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.734 10.459 0.379 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.997 8.096 -1.295 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.809 11.601 1.127 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.343 8.597 -1.834 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.149 12.103 0.581 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.967 11.487 -0.508 1.00 0.19 H new ATOM 747 N LEU A 46 1.747 7.981 -0.137 1.00 0.08 N ATOM 748 CA LEU A 46 3.195 8.168 -0.089 1.00 0.09 C ATOM 749 C LEU A 46 3.777 8.269 -1.488 1.00 0.09 C ATOM 750 O LEU A 46 3.053 8.382 -2.478 1.00 0.11 O ATOM 751 CB LEU A 46 3.886 7.005 0.625 1.00 0.10 C ATOM 752 CG LEU A 46 3.428 6.705 2.052 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.347 5.672 2.687 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.397 7.971 2.892 1.00 0.12 C ATOM 0 H LEU A 46 1.420 7.102 0.264 1.00 0.08 H new ATOM 0 HA LEU A 46 3.371 9.093 0.460 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.744 6.105 0.026 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.957 7.207 0.647 1.00 0.10 H new ATOM 0 HG LEU A 46 2.416 6.303 2.010 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.013 5.464 3.704 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.321 4.753 2.102 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.366 6.058 2.711 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.068 7.729 3.903 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.395 8.407 2.930 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.706 8.686 2.447 1.00 0.12 H new ATOM 766 N ASP A 47 5.099 8.215 -1.554 1.00 0.09 N ATOM 767 CA ASP A 47 5.813 8.276 -2.818 1.00 0.10 C ATOM 768 C ASP A 47 7.137 7.538 -2.702 1.00 0.10 C ATOM 769 O ASP A 47 7.569 7.199 -1.601 1.00 0.16 O ATOM 770 CB ASP A 47 6.063 9.727 -3.235 1.00 0.11 C ATOM 771 CG ASP A 47 4.788 10.542 -3.315 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.126 10.507 -4.374 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.449 11.214 -2.318 1.00 0.96 O ATOM 0 H ASP A 47 5.703 8.128 -0.737 1.00 0.09 H new ATOM 0 HA ASP A 47 5.198 7.799 -3.581 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.743 10.193 -2.522 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.560 9.741 -4.205 1.00 0.11 H new ATOM 778 N ASP A 48 7.770 7.285 -3.837 1.00 0.12 N ATOM 779 CA ASP A 48 9.053 6.596 -3.861 1.00 0.14 C ATOM 780 C ASP A 48 10.004 7.218 -2.840 1.00 0.14 C ATOM 781 O ASP A 48 10.704 6.515 -2.115 1.00 0.21 O ATOM 782 CB ASP A 48 9.651 6.667 -5.271 1.00 0.17 C ATOM 783 CG ASP A 48 10.946 7.455 -5.335 1.00 1.06 C ATOM 784 OD1 ASP A 48 10.888 8.702 -5.293 1.00 1.73 O ATOM 785 OD2 ASP A 48 12.018 6.823 -5.430 1.00 1.65 O ATOM 0 H ASP A 48 7.416 7.547 -4.757 1.00 0.12 H new ATOM 0 HA ASP A 48 8.904 5.549 -3.596 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.832 5.655 -5.633 1.00 0.17 H new ATOM 0 HB3 ASP A 48 8.924 7.121 -5.944 1.00 0.17 H new ATOM 790 N GLU A 49 9.995 8.541 -2.774 1.00 0.14 N ATOM 791 CA GLU A 49 10.858 9.272 -1.847 1.00 0.16 C ATOM 792 C GLU A 49 10.513 8.970 -0.390 1.00 0.13 C ATOM 793 O GLU A 49 11.391 8.610 0.394 1.00 0.19 O ATOM 794 CB GLU A 49 10.760 10.775 -2.103 1.00 0.23 C ATOM 795 CG GLU A 49 11.789 11.587 -1.331 1.00 0.37 C ATOM 796 CD GLU A 49 11.677 13.075 -1.597 1.00 0.46 C ATOM 797 OE1 GLU A 49 12.208 13.535 -2.631 1.00 0.51 O ATOM 798 OE2 GLU A 49 11.062 13.782 -0.772 1.00 0.52 O ATOM 0 H GLU A 49 9.400 9.135 -3.351 1.00 0.14 H new ATOM 0 HA GLU A 49 11.881 8.939 -2.024 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.885 10.963 -3.169 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.761 11.118 -1.834 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.666 11.402 -0.264 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.790 11.248 -1.600 1.00 0.37 H new ATOM 805 N THR A 50 9.240 9.121 -0.025 1.00 0.11 N ATOM 806 CA THR A 50 8.813 8.864 1.348 1.00 0.10 C ATOM 807 C THR A 50 9.174 7.448 1.769 1.00 0.09 C ATOM 808 O THR A 50 9.730 7.234 2.843 1.00 0.13 O ATOM 809 CB THR A 50 7.298 9.065 1.525 1.00 0.12 C ATOM 810 OG1 THR A 50 6.946 10.425 1.247 1.00 0.19 O ATOM 811 CG2 THR A 50 6.872 8.702 2.941 1.00 0.14 C ATOM 0 H THR A 50 8.494 9.417 -0.654 1.00 0.11 H new ATOM 0 HA THR A 50 9.337 9.583 1.979 1.00 0.10 H new ATOM 0 HB THR A 50 6.780 8.410 0.825 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.980 10.543 1.361 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.797 8.851 3.047 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.115 7.658 3.138 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.398 9.337 3.653 1.00 0.14 H new ATOM 819 N LEU A 51 8.856 6.491 0.909 1.00 0.09 N ATOM 820 CA LEU A 51 9.143 5.087 1.169 1.00 0.11 C ATOM 821 C LEU A 51 10.602 4.907 1.566 1.00 0.11 C ATOM 822 O LEU A 51 10.917 4.136 2.471 1.00 0.14 O ATOM 823 CB LEU A 51 8.827 4.276 -0.081 1.00 0.12 C ATOM 824 CG LEU A 51 7.334 4.044 -0.325 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.088 3.548 -1.738 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.780 3.056 0.692 1.00 0.74 C ATOM 0 H LEU A 51 8.394 6.664 0.016 1.00 0.09 H new ATOM 0 HA LEU A 51 8.524 4.737 1.995 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.249 4.787 -0.947 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.325 3.309 -0.007 1.00 0.12 H new ATOM 0 HG LEU A 51 6.815 4.995 -0.205 1.00 0.16 H new ATOM 0 HD11 LEU A 51 6.020 3.390 -1.887 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.449 4.289 -2.452 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.618 2.608 -1.891 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.717 2.900 0.507 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.307 2.106 0.601 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.919 3.453 1.698 1.00 0.74 H new ATOM 838 N GLU A 52 11.487 5.622 0.884 1.00 0.10 N ATOM 839 CA GLU A 52 12.909 5.564 1.189 1.00 0.13 C ATOM 840 C GLU A 52 13.133 6.043 2.608 1.00 0.13 C ATOM 841 O GLU A 52 13.877 5.440 3.382 1.00 0.16 O ATOM 842 CB GLU A 52 13.695 6.451 0.230 1.00 0.16 C ATOM 843 CG GLU A 52 15.175 6.110 0.155 1.00 0.33 C ATOM 844 CD GLU A 52 15.968 7.123 -0.647 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.355 8.163 -0.072 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.205 6.876 -1.847 1.00 0.52 O ATOM 0 H GLU A 52 11.245 6.248 0.116 1.00 0.10 H new ATOM 0 HA GLU A 52 13.253 4.535 1.081 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.261 6.367 -0.766 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.586 7.491 0.539 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.582 6.053 1.164 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.294 5.124 -0.293 1.00 0.33 H new ATOM 853 N LYS A 53 12.473 7.144 2.930 1.00 0.13 N ATOM 854 CA LYS A 53 12.567 7.739 4.257 1.00 0.16 C ATOM 855 C LYS A 53 12.164 6.737 5.338 1.00 0.18 C ATOM 856 O LYS A 53 12.703 6.757 6.444 1.00 0.25 O ATOM 857 CB LYS A 53 11.689 8.985 4.339 1.00 0.17 C ATOM 858 CG LYS A 53 12.154 10.148 3.482 1.00 0.42 C ATOM 859 CD LYS A 53 13.581 10.554 3.789 1.00 0.60 C ATOM 860 CE LYS A 53 14.531 9.776 2.909 1.00 1.54 C ATOM 861 NZ LYS A 53 15.825 9.492 3.590 1.00 2.19 N ATOM 0 H LYS A 53 11.862 7.648 2.287 1.00 0.13 H new ATOM 0 HA LYS A 53 13.605 8.024 4.429 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.674 8.717 4.044 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.643 9.313 5.378 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.075 9.875 2.430 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.494 11.001 3.641 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.709 11.624 3.623 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.805 10.366 4.839 1.00 0.60 H new ATOM 0 HE2 LYS A 53 14.064 8.836 2.615 1.00 1.54 H new ATOM 0 HE3 LYS A 53 14.720 10.339 1.995 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 16.445 8.957 2.949 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 16.285 10.388 3.848 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.650 8.933 4.449 1.00 2.19 H new ATOM 875 N LYS A 54 11.214 5.861 5.011 1.00 0.13 N ATOM 876 CA LYS A 54 10.750 4.851 5.953 1.00 0.16 C ATOM 877 C LYS A 54 11.800 3.766 6.103 1.00 0.17 C ATOM 878 O LYS A 54 12.278 3.478 7.201 1.00 0.21 O ATOM 879 CB LYS A 54 9.445 4.226 5.457 1.00 0.16 C ATOM 880 CG LYS A 54 8.538 5.209 4.742 1.00 0.25 C ATOM 881 CD LYS A 54 8.092 6.314 5.676 1.00 0.39 C ATOM 882 CE LYS A 54 6.593 6.271 5.888 1.00 0.30 C ATOM 883 NZ LYS A 54 6.190 6.986 7.131 1.00 1.20 N ATOM 0 H LYS A 54 10.753 5.833 4.101 1.00 0.13 H new ATOM 0 HA LYS A 54 10.576 5.327 6.918 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.679 3.403 4.782 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.909 3.800 6.306 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.063 5.639 3.889 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.666 4.686 4.350 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.602 6.213 6.634 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.377 7.282 5.263 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.092 6.721 5.031 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.263 5.234 5.942 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.193 6.780 7.342 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.785 6.668 7.923 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.311 8.010 6.997 1.00 1.20 H new ATOM 897 N GLY A 55 12.142 3.168 4.973 1.00 0.19 N ATOM 898 CA GLY A 55 13.126 2.113 4.940 1.00 0.23 C ATOM 899 C GLY A 55 13.213 1.482 3.566 1.00 0.25 C ATOM 900 O GLY A 55 14.179 0.789 3.249 1.00 0.38 O ATOM 0 H GLY A 55 11.745 3.402 4.063 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.100 2.513 5.221 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.870 1.351 5.676 1.00 0.23 H new ATOM 904 N VAL A 56 12.184 1.720 2.757 1.00 0.17 N ATOM 905 CA VAL A 56 12.132 1.206 1.397 1.00 0.21 C ATOM 906 C VAL A 56 13.183 1.906 0.545 1.00 0.40 C ATOM 907 O VAL A 56 12.888 2.866 -0.163 1.00 0.89 O ATOM 908 CB VAL A 56 10.740 1.428 0.778 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.576 0.614 -0.488 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.639 1.109 1.783 1.00 0.17 C ATOM 0 H VAL A 56 11.369 2.271 3.026 1.00 0.17 H new ATOM 0 HA VAL A 56 12.332 0.135 1.427 1.00 0.21 H new ATOM 0 HB VAL A 56 10.653 2.481 0.512 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.585 0.788 -0.906 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.333 0.912 -1.213 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.692 -0.445 -0.257 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.666 1.274 1.321 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.721 0.068 2.094 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.742 1.757 2.653 1.00 0.17 H new ATOM 920 N LEU A 57 14.408 1.404 0.618 1.00 0.21 N ATOM 921 CA LEU A 57 15.533 1.990 -0.104 1.00 0.26 C ATOM 922 C LEU A 57 15.645 1.456 -1.530 1.00 0.36 C ATOM 923 O LEU A 57 16.303 2.061 -2.377 1.00 0.83 O ATOM 924 CB LEU A 57 16.827 1.708 0.664 1.00 0.34 C ATOM 925 CG LEU A 57 17.168 2.692 1.797 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.916 3.348 2.362 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.926 1.978 2.903 1.00 0.55 C ATOM 0 H LEU A 57 14.651 0.585 1.175 1.00 0.21 H new ATOM 0 HA LEU A 57 15.363 3.064 -0.176 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.764 0.706 1.087 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.654 1.702 -0.046 1.00 0.34 H new ATOM 0 HG LEU A 57 17.798 3.476 1.377 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.194 4.036 3.160 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.404 3.897 1.571 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.251 2.581 2.760 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.161 2.685 3.698 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.311 1.172 3.304 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.851 1.563 2.501 1.00 0.55 H new ATOM 939 N ALA A 58 15.003 0.325 -1.790 1.00 0.21 N ATOM 940 CA ALA A 58 15.045 -0.286 -3.113 1.00 0.17 C ATOM 941 C ALA A 58 14.263 0.522 -4.127 1.00 0.13 C ATOM 942 O ALA A 58 13.038 0.594 -4.061 1.00 0.12 O ATOM 943 CB ALA A 58 14.495 -1.697 -3.058 1.00 0.18 C ATOM 0 H ALA A 58 14.448 -0.187 -1.105 1.00 0.21 H new ATOM 0 HA ALA A 58 16.088 -0.311 -3.428 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.532 -2.141 -4.053 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.094 -2.295 -2.371 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.462 -1.672 -2.711 1.00 0.18 H new ATOM 949 N LEU A 59 14.979 1.134 -5.065 1.00 0.14 N ATOM 950 CA LEU A 59 14.337 1.898 -6.119 1.00 0.13 C ATOM 951 C LEU A 59 13.288 1.027 -6.778 1.00 0.12 C ATOM 952 O LEU A 59 12.290 1.510 -7.307 1.00 0.14 O ATOM 953 CB LEU A 59 15.365 2.355 -7.159 1.00 0.15 C ATOM 954 CG LEU A 59 15.984 3.729 -6.909 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.920 4.806 -7.017 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.662 3.777 -5.549 1.00 0.27 C ATOM 0 H LEU A 59 15.998 1.114 -5.114 1.00 0.14 H new ATOM 0 HA LEU A 59 13.872 2.786 -5.690 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.166 1.617 -7.202 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.887 2.364 -8.138 1.00 0.15 H new ATOM 0 HG LEU A 59 16.744 3.911 -7.669 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.371 5.782 -6.837 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.483 4.787 -8.015 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.141 4.624 -6.276 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.095 4.765 -5.393 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.928 3.576 -4.769 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.450 3.025 -5.508 1.00 0.27 H new ATOM 968 N GLY A 60 13.544 -0.275 -6.740 1.00 0.12 N ATOM 969 CA GLY A 60 12.629 -1.231 -7.310 1.00 0.12 C ATOM 970 C GLY A 60 11.399 -1.446 -6.449 1.00 0.11 C ATOM 971 O GLY A 60 10.292 -1.546 -6.963 1.00 0.14 O ATOM 0 H GLY A 60 14.379 -0.683 -6.319 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.321 -0.889 -8.298 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.143 -2.183 -7.448 1.00 0.12 H new ATOM 975 N ALA A 61 11.602 -1.520 -5.134 1.00 0.10 N ATOM 976 CA ALA A 61 10.514 -1.746 -4.193 1.00 0.10 C ATOM 977 C ALA A 61 9.628 -0.519 -3.986 1.00 0.11 C ATOM 978 O ALA A 61 8.408 -0.605 -4.122 1.00 0.16 O ATOM 979 CB ALA A 61 11.076 -2.213 -2.862 1.00 0.13 C ATOM 0 H ALA A 61 12.519 -1.425 -4.697 1.00 0.10 H new ATOM 0 HA ALA A 61 9.877 -2.517 -4.627 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.259 -2.381 -2.161 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.627 -3.142 -3.006 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.746 -1.452 -2.463 1.00 0.13 H new ATOM 985 N ARG A 62 10.232 0.623 -3.651 1.00 0.14 N ATOM 986 CA ARG A 62 9.457 1.830 -3.397 1.00 0.16 C ATOM 987 C ARG A 62 8.711 2.300 -4.632 1.00 0.11 C ATOM 988 O ARG A 62 7.482 2.382 -4.627 1.00 0.11 O ATOM 989 CB ARG A 62 10.337 2.953 -2.841 1.00 0.23 C ATOM 990 CG ARG A 62 11.500 3.373 -3.722 1.00 0.32 C ATOM 991 CD ARG A 62 12.503 4.195 -2.925 1.00 0.23 C ATOM 992 NE ARG A 62 13.568 4.743 -3.760 1.00 0.21 N ATOM 993 CZ ARG A 62 14.026 5.990 -3.649 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.466 6.832 -2.794 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.037 6.400 -4.401 1.00 0.48 N ATOM 0 H ARG A 62 11.241 0.733 -3.551 1.00 0.14 H new ATOM 0 HA ARG A 62 8.714 1.571 -2.642 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.709 3.825 -2.658 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.732 2.637 -1.876 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.990 2.490 -4.133 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.132 3.956 -4.566 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.982 5.011 -2.424 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.941 3.571 -2.146 1.00 0.23 H new ATOM 0 HE ARG A 62 13.985 4.138 -4.468 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.682 6.527 -2.218 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.819 7.785 -2.712 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.468 5.761 -5.068 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.384 7.355 -4.312 1.00 0.48 H new ATOM 1009 N ARG A 63 9.451 2.624 -5.680 1.00 0.12 N ATOM 1010 CA ARG A 63 8.842 3.075 -6.924 1.00 0.13 C ATOM 1011 C ARG A 63 7.742 2.106 -7.345 1.00 0.12 C ATOM 1012 O ARG A 63 6.813 2.474 -8.065 1.00 0.14 O ATOM 1013 CB ARG A 63 9.885 3.187 -8.033 1.00 0.16 C ATOM 1014 CG ARG A 63 10.921 4.273 -7.797 1.00 0.79 C ATOM 1015 CD ARG A 63 11.872 4.395 -8.976 1.00 0.75 C ATOM 1016 NE ARG A 63 11.158 4.628 -10.230 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.504 4.077 -11.390 1.00 1.56 C ATOM 1018 NH1 ARG A 63 12.547 3.261 -11.456 1.00 1.33 N ATOM 1019 NH2 ARG A 63 10.804 4.340 -12.484 1.00 2.47 N ATOM 0 H ARG A 63 10.470 2.584 -5.696 1.00 0.12 H new ATOM 0 HA ARG A 63 8.411 4.062 -6.756 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.395 2.229 -8.137 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.377 3.382 -8.977 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.420 5.227 -7.631 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.487 4.049 -6.893 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.569 5.214 -8.797 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.465 3.484 -9.060 1.00 0.75 H new ATOM 0 HE ARG A 63 10.348 5.248 -10.215 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.087 3.054 -10.616 1.00 1.33 H new ATOM 0 HH12 ARG A 63 12.810 2.840 -12.347 1.00 1.33 H new ATOM 0 HH21 ARG A 63 9.999 4.965 -12.437 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.070 3.917 -13.373 1.00 2.47 H new ATOM 1033 N LYS A 64 7.861 0.858 -6.889 1.00 0.10 N ATOM 1034 CA LYS A 64 6.878 -0.174 -7.200 1.00 0.13 C ATOM 1035 C LYS A 64 5.633 -0.007 -6.341 1.00 0.11 C ATOM 1036 O LYS A 64 4.513 -0.186 -6.816 1.00 0.12 O ATOM 1037 CB LYS A 64 7.479 -1.559 -6.976 1.00 0.18 C ATOM 1038 CG LYS A 64 6.493 -2.700 -7.170 1.00 0.76 C ATOM 1039 CD LYS A 64 7.183 -4.054 -7.114 1.00 1.33 C ATOM 1040 CE LYS A 64 8.100 -4.265 -8.309 1.00 1.80 C ATOM 1041 NZ LYS A 64 7.346 -4.262 -9.594 1.00 2.52 N ATOM 0 H LYS A 64 8.632 0.540 -6.302 1.00 0.10 H new ATOM 0 HA LYS A 64 6.595 -0.072 -8.248 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.316 -1.696 -7.661 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.883 -1.609 -5.965 1.00 0.18 H new ATOM 0 HG2 LYS A 64 5.724 -2.651 -6.399 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.990 -2.587 -8.130 1.00 0.76 H new ATOM 0 HD2 LYS A 64 7.761 -4.131 -6.193 1.00 1.33 H new ATOM 0 HD3 LYS A 64 6.433 -4.844 -7.086 1.00 1.33 H new ATOM 0 HE2 LYS A 64 8.856 -3.480 -8.330 1.00 1.80 H new ATOM 0 HE3 LYS A 64 8.627 -5.213 -8.199 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 7.932 -4.686 -10.341 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 6.472 -4.814 -9.485 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 7.107 -3.284 -9.854 1.00 2.52 H new ATOM 1055 N LEU A 65 5.838 0.322 -5.070 1.00 0.11 N ATOM 1056 CA LEU A 65 4.730 0.523 -4.148 1.00 0.11 C ATOM 1057 C LEU A 65 3.799 1.609 -4.663 1.00 0.08 C ATOM 1058 O LEU A 65 2.612 1.626 -4.346 1.00 0.09 O ATOM 1059 CB LEU A 65 5.249 0.891 -2.764 1.00 0.13 C ATOM 1060 CG LEU A 65 5.406 -0.292 -1.820 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.717 -0.199 -1.061 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.227 -0.373 -0.864 1.00 0.23 C ATOM 0 H LEU A 65 6.761 0.455 -4.657 1.00 0.11 H new ATOM 0 HA LEU A 65 4.171 -0.410 -4.075 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.214 1.387 -2.870 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.568 1.613 -2.313 1.00 0.13 H new ATOM 0 HG LEU A 65 5.423 -1.207 -2.412 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.811 -1.054 -0.391 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.547 -0.199 -1.767 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.736 0.722 -0.479 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.357 -1.225 -0.197 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.172 0.543 -0.276 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.305 -0.495 -1.433 1.00 0.23 H new ATOM 1074 N LEU A 66 4.353 2.513 -5.463 1.00 0.08 N ATOM 1075 CA LEU A 66 3.576 3.602 -6.035 1.00 0.09 C ATOM 1076 C LEU A 66 2.482 3.052 -6.939 1.00 0.11 C ATOM 1077 O LEU A 66 1.482 3.723 -7.199 1.00 0.14 O ATOM 1078 CB LEU A 66 4.486 4.554 -6.812 1.00 0.11 C ATOM 1079 CG LEU A 66 5.179 5.618 -5.958 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.557 5.937 -6.510 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.326 6.877 -5.889 1.00 0.14 C ATOM 0 H LEU A 66 5.338 2.512 -5.729 1.00 0.08 H new ATOM 0 HA LEU A 66 3.107 4.159 -5.224 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.248 3.968 -7.326 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.895 5.053 -7.580 1.00 0.11 H new ATOM 0 HG LEU A 66 5.301 5.224 -4.949 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.032 6.696 -5.888 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.167 5.034 -6.510 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.463 6.311 -7.530 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.831 7.626 -5.278 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.176 7.270 -6.894 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.360 6.638 -5.445 1.00 0.14 H new ATOM 1093 N LYS A 67 2.678 1.825 -7.414 1.00 0.12 N ATOM 1094 CA LYS A 67 1.704 1.181 -8.274 1.00 0.16 C ATOM 1095 C LYS A 67 0.562 0.654 -7.422 1.00 0.14 C ATOM 1096 O LYS A 67 -0.603 0.695 -7.819 1.00 0.16 O ATOM 1097 CB LYS A 67 2.365 0.048 -9.060 1.00 0.22 C ATOM 1098 CG LYS A 67 1.724 -0.211 -10.416 1.00 0.84 C ATOM 1099 CD LYS A 67 0.459 -1.043 -10.298 1.00 1.26 C ATOM 1100 CE LYS A 67 0.770 -2.528 -10.274 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.456 -2.972 -11.519 1.00 2.20 N ATOM 0 H LYS A 67 3.504 1.261 -7.215 1.00 0.12 H new ATOM 0 HA LYS A 67 1.310 1.902 -8.990 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.419 0.285 -9.206 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.323 -0.866 -8.468 1.00 0.22 H new ATOM 0 HG2 LYS A 67 1.489 0.740 -10.893 1.00 0.84 H new ATOM 0 HG3 LYS A 67 2.437 -0.724 -11.062 1.00 0.84 H new ATOM 0 HD2 LYS A 67 -0.075 -0.767 -9.389 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.202 -0.822 -11.136 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.399 -2.753 -9.413 1.00 1.56 H new ATOM 0 HE3 LYS A 67 -0.155 -3.091 -10.149 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.239 -3.973 -11.697 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 1.126 -2.398 -12.321 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.484 -2.855 -11.410 1.00 2.20 H new ATOM 1115 N ALA A 68 0.915 0.160 -6.237 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.069 -0.362 -5.301 1.00 0.14 C ATOM 1117 C ALA A 68 -0.860 0.781 -4.681 1.00 0.13 C ATOM 1118 O ALA A 68 -2.034 0.635 -4.354 1.00 0.23 O ATOM 1119 CB ALA A 68 0.613 -1.191 -4.217 1.00 0.17 C ATOM 0 H ALA A 68 1.878 0.112 -5.905 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.759 -1.009 -5.843 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.138 -1.574 -3.525 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.142 -2.026 -4.676 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.322 -0.567 -3.674 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.200 1.925 -4.537 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.814 3.112 -3.956 1.00 0.11 C ATOM 1127 C PHE A 69 -1.987 3.608 -4.798 1.00 0.10 C ATOM 1128 O PHE A 69 -3.006 4.045 -4.262 1.00 0.12 O ATOM 1129 CB PHE A 69 0.228 4.228 -3.845 1.00 0.11 C ATOM 1130 CG PHE A 69 1.332 3.979 -2.847 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.256 2.943 -1.925 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.450 4.800 -2.830 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.271 2.737 -1.012 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.467 4.594 -1.918 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.377 3.562 -1.008 1.00 0.12 C ATOM 0 H PHE A 69 0.772 2.055 -4.819 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.189 2.843 -2.969 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.676 4.384 -4.826 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.281 5.153 -3.576 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.394 2.292 -1.922 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.526 5.611 -3.539 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.199 1.929 -0.300 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.332 5.241 -1.918 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.171 3.400 -0.294 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.836 3.540 -6.117 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.876 4.016 -7.013 1.00 0.13 C ATOM 1147 C GLY A 70 -4.090 3.114 -7.070 1.00 0.13 C ATOM 1148 O GLY A 70 -5.219 3.587 -6.950 1.00 0.13 O ATOM 0 H GLY A 70 -1.011 3.163 -6.583 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.188 5.011 -6.697 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.461 4.116 -8.016 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.869 1.820 -7.258 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.971 0.870 -7.333 1.00 0.15 C ATOM 1154 C ILE A 71 -5.859 0.982 -6.102 1.00 0.13 C ATOM 1155 O ILE A 71 -7.076 0.827 -6.186 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.456 -0.575 -7.466 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.453 -0.668 -8.616 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.615 -1.534 -7.695 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.442 -1.778 -8.447 1.00 0.25 C ATOM 0 H ILE A 71 -2.943 1.406 -7.361 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.553 1.114 -8.221 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.956 -0.856 -6.539 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.995 -0.821 -9.549 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.926 0.282 -8.705 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.233 -2.551 -7.787 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.304 -1.480 -6.852 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.139 -1.259 -8.610 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.763 -1.784 -9.300 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.873 -1.616 -7.531 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.959 -2.736 -8.388 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.244 1.259 -4.957 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.989 1.405 -3.714 1.00 0.11 C ATOM 1173 C VAL A 72 -6.794 2.694 -3.738 1.00 0.12 C ATOM 1174 O VAL A 72 -7.971 2.712 -3.390 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.062 1.426 -2.484 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.875 1.534 -1.199 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.163 0.201 -2.460 1.00 0.12 C ATOM 0 H VAL A 72 -4.236 1.386 -4.865 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.650 0.542 -3.634 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.423 2.306 -2.555 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.201 1.547 -0.342 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.460 2.454 -1.215 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.546 0.679 -1.120 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.518 0.240 -1.582 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.776 -0.699 -2.421 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.549 0.183 -3.360 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.133 3.770 -4.156 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.756 5.084 -4.232 1.00 0.16 C ATOM 1189 C ILE A 73 -7.999 5.069 -5.113 1.00 0.19 C ATOM 1190 O ILE A 73 -9.077 5.432 -4.664 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.761 6.135 -4.772 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.773 6.539 -3.679 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.504 7.354 -5.301 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.606 7.360 -4.181 1.00 0.16 C ATOM 0 H ILE A 73 -5.156 3.754 -4.450 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.053 5.352 -3.218 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.203 5.693 -5.597 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.303 7.108 -2.916 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.391 5.639 -3.197 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.786 8.083 -5.677 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.171 7.052 -6.109 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.088 7.801 -4.497 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.950 7.608 -3.347 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.050 6.786 -4.922 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.976 8.279 -4.636 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.837 4.661 -6.366 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.954 4.605 -7.309 1.00 0.21 C ATOM 1208 C ASP A 74 -10.138 3.847 -6.714 1.00 0.19 C ATOM 1209 O ASP A 74 -11.252 4.366 -6.665 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.512 3.939 -8.614 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.477 4.199 -9.755 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.436 3.415 -9.910 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.272 5.185 -10.492 1.00 0.61 O ATOM 0 H ASP A 74 -6.943 4.363 -6.756 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.271 5.627 -7.517 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.523 4.306 -8.888 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.421 2.864 -8.457 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.900 2.613 -6.275 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.951 1.809 -5.669 1.00 0.25 C ATOM 1220 C TYR A 75 -11.479 2.508 -4.425 1.00 0.27 C ATOM 1221 O TYR A 75 -12.650 2.385 -4.079 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.427 0.404 -5.372 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.275 -0.425 -6.633 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.288 -0.453 -7.582 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -9.129 -1.168 -6.883 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.169 -1.195 -8.739 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -9.000 -1.914 -8.039 1.00 1.41 C ATOM 1228 CZ TYR A 75 -10.023 -1.924 -8.964 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.897 -2.665 -10.116 1.00 1.24 O ATOM 0 H TYR A 75 -8.992 2.152 -6.329 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.786 1.701 -6.362 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.464 0.476 -4.867 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.109 -0.100 -4.687 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.188 0.118 -7.411 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.325 -1.163 -6.162 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.970 -1.204 -9.464 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -8.102 -2.487 -8.217 1.00 1.41 H new ATOM 0 HH TYR A 75 -9.028 -3.118 -10.120 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.599 3.245 -3.761 1.00 0.24 N ATOM 1240 CA LYS A 76 -10.973 4.017 -2.586 1.00 0.30 C ATOM 1241 C LYS A 76 -11.845 5.185 -3.032 1.00 0.37 C ATOM 1242 O LYS A 76 -12.751 5.622 -2.323 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.706 4.518 -1.875 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.894 5.775 -1.043 1.00 0.40 C ATOM 1245 CD LYS A 76 -8.981 6.888 -1.530 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.197 7.508 -0.387 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.090 8.205 0.578 1.00 1.66 N ATOM 0 H LYS A 76 -9.615 3.324 -4.019 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.534 3.399 -1.884 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.332 3.724 -1.228 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -8.937 4.707 -2.624 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.933 6.101 -1.098 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.683 5.558 0.004 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.289 6.493 -2.274 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.575 7.657 -2.024 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.635 6.732 0.132 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.470 8.215 -0.786 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.527 8.848 1.171 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.805 8.752 0.057 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.564 7.503 1.182 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.548 5.673 -4.231 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.266 6.777 -4.837 1.00 0.36 C ATOM 1263 C GLU A 77 -13.622 6.314 -5.361 1.00 0.34 C ATOM 1264 O GLU A 77 -14.568 7.097 -5.451 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.424 7.356 -5.976 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.211 8.141 -5.501 1.00 0.49 C ATOM 1267 CD GLU A 77 -9.717 9.131 -6.537 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -8.866 8.746 -7.367 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -10.183 10.289 -6.521 1.00 1.09 O ATOM 0 H GLU A 77 -10.794 5.306 -4.812 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.442 7.547 -4.086 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.090 6.542 -6.619 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.051 8.007 -6.585 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.464 8.675 -4.585 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.407 7.447 -5.254 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.703 5.031 -5.705 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.929 4.446 -6.229 1.00 0.33 C ATOM 1278 C ARG A 78 -15.776 3.851 -5.111 1.00 0.36 C ATOM 1279 O ARG A 78 -16.722 3.104 -5.366 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.593 3.365 -7.257 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.147 3.921 -8.599 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.898 2.812 -9.607 1.00 0.42 C ATOM 1283 NE ARG A 78 -15.117 2.067 -9.909 1.00 1.15 N ATOM 1284 CZ ARG A 78 -15.309 1.390 -11.038 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -14.362 1.357 -11.967 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -16.450 0.744 -11.238 1.00 2.37 N ATOM 0 H ARG A 78 -12.926 4.374 -5.628 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.505 5.238 -6.709 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.805 2.727 -6.857 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.469 2.733 -7.407 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.908 4.600 -8.984 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.236 4.505 -8.467 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.497 3.240 -10.526 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -13.143 2.130 -9.217 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.864 2.066 -9.215 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.483 1.852 -11.817 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -14.513 0.837 -12.831 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -17.180 0.766 -10.526 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -16.597 0.225 -12.104 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.427 4.185 -3.872 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.151 3.683 -2.709 1.00 0.43 C ATOM 1302 C ASP A 79 -16.152 2.157 -2.699 1.00 0.40 C ATOM 1303 O ASP A 79 -17.047 1.525 -2.138 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.587 4.216 -2.705 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.302 3.954 -1.394 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.033 4.679 -0.414 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.135 3.024 -1.348 1.00 2.00 O ATOM 0 H ASP A 79 -14.646 4.802 -3.648 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.646 4.035 -1.809 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.573 5.288 -2.899 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.145 3.752 -3.518 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.138 1.573 -3.330 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.012 0.125 -3.403 1.00 0.32 C ATOM 1314 C LEU A 80 -14.379 -0.427 -2.129 1.00 0.31 C ATOM 1315 O LEU A 80 -14.452 -1.625 -1.853 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.194 -0.275 -4.634 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.992 -0.993 -5.719 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.565 0.011 -6.705 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.121 -2.000 -6.440 1.00 0.39 C ATOM 0 H LEU A 80 -14.390 2.084 -3.799 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.009 -0.305 -3.497 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.746 0.621 -5.063 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.375 -0.920 -4.316 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.816 -1.526 -5.245 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.131 -0.516 -7.473 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.223 0.703 -6.179 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.752 0.567 -7.171 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.707 -2.502 -7.210 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.278 -1.487 -6.902 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.751 -2.737 -5.727 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.757 0.460 -1.360 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.127 0.085 -0.099 1.00 0.14 C ATOM 1333 C ILE A 81 -14.028 0.476 1.065 1.00 0.13 C ATOM 1334 O ILE A 81 -14.558 1.587 1.104 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.755 0.767 0.068 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.793 0.283 -1.021 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.183 0.484 1.455 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.456 0.993 -1.017 1.00 0.17 C ATOM 0 H ILE A 81 -13.675 1.450 -1.590 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.977 -0.995 -0.108 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.884 1.845 -0.034 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.626 -0.787 -0.895 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.263 0.420 -1.995 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.214 0.973 1.556 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.864 0.868 2.215 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.062 -0.591 1.586 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.830 0.595 -1.816 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.610 2.060 -1.174 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.963 0.835 -0.058 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.202 -0.440 2.009 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.046 -0.186 3.166 1.00 0.13 C ATOM 1352 C ASP A 82 -14.574 1.049 3.915 1.00 0.13 C ATOM 1353 O ASP A 82 -13.388 1.185 4.222 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.037 -1.388 4.107 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.293 -1.472 4.953 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.480 -0.600 5.826 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.089 -2.411 4.741 1.00 0.47 O ATOM 0 H ASP A 82 -13.770 -1.364 1.995 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.062 -0.017 2.810 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.935 -2.302 3.522 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.166 -1.328 4.760 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.507 1.948 4.209 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.185 3.169 4.933 1.00 0.16 C ATOM 1364 C ARG A 83 -14.594 2.838 6.297 1.00 0.18 C ATOM 1365 O ARG A 83 -14.041 3.704 6.974 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.427 4.049 5.083 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.810 4.773 3.800 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.777 5.825 3.426 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.961 6.322 2.064 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.865 7.239 1.728 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.673 7.749 2.648 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.960 7.646 0.470 1.00 1.48 N ATOM 0 H ARG A 83 -16.491 1.853 3.957 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.441 3.723 4.361 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.264 3.431 5.407 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.250 4.784 5.868 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.907 4.052 2.989 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.784 5.246 3.924 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.840 6.658 4.126 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.778 5.401 3.524 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.363 5.945 1.329 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.603 7.439 3.617 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.365 8.452 2.386 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.340 7.256 -0.240 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.653 8.349 0.212 1.00 1.48 H new ATOM 1386 N SER A 84 -14.723 1.575 6.696 1.00 0.17 N ATOM 1387 CA SER A 84 -14.188 1.121 7.971 1.00 0.20 C ATOM 1388 C SER A 84 -12.666 1.212 7.961 1.00 0.19 C ATOM 1389 O SER A 84 -12.046 1.533 8.975 1.00 0.23 O ATOM 1390 CB SER A 84 -14.632 -0.315 8.255 1.00 0.22 C ATOM 1391 OG SER A 84 -14.264 -0.714 9.562 1.00 1.09 O ATOM 0 H SER A 84 -15.193 0.851 6.153 1.00 0.17 H new ATOM 0 HA SER A 84 -14.574 1.764 8.762 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.713 -0.394 8.138 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.182 -0.989 7.526 1.00 0.22 H new ATOM 0 HG SER A 84 -14.561 -1.635 9.719 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.071 0.923 6.803 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.623 0.989 6.650 1.00 0.16 C ATOM 1399 C ALA A 85 -10.140 2.415 6.845 1.00 0.19 C ATOM 1400 O ALA A 85 -9.137 2.660 7.516 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.204 0.486 5.274 1.00 0.14 C ATOM 0 H ALA A 85 -12.572 0.642 5.960 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.170 0.350 7.408 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.120 0.544 5.180 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.524 -0.549 5.152 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.668 1.103 4.504 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.871 3.348 6.242 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.546 4.772 6.331 1.00 0.25 C ATOM 1409 C TYR A 86 -10.157 5.162 7.755 1.00 0.31 C ATOM 1410 O TYR A 86 -11.069 5.326 8.593 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.733 5.624 5.873 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.981 5.595 4.383 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.179 4.397 3.719 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.029 6.771 3.643 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.417 4.360 2.361 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.266 6.746 2.282 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.459 5.539 1.646 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.700 5.510 0.293 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.944 5.302 8.020 1.00 1.02 O ATOM 0 H TYR A 86 -11.699 3.143 5.682 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.695 4.957 5.675 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.631 5.280 6.386 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.565 6.656 6.182 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.146 3.472 4.276 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.879 7.718 4.139 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.569 3.415 1.861 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.300 7.667 1.720 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.934 6.410 -0.017 1.00 0.40 H new