USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 733 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+ 145:sc= 1.3 (180deg=0.169) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc=-0.000441 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -111:sc= 0.0574 (180deg=-2.59!) USER MOD Set 3.1: A 38 THR OG1 : rot -70:sc= 1.03 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN :FLIP amide:sc= 0.135 F(o=-4.3!,f=0.14) USER MOD Single : A 3 SER OG : rot -21:sc= -1.01 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -142:sc= -0.134 (180deg=-2.71) USER MOD Single : A 6 ASN : amide:sc= -0.279 K(o=-0.28,f=-1) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -1.68! (180deg=-2.87!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -76:sc= 1.11 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0327 (180deg=-0.201) USER MOD Single : A 18 ASN : amide:sc= -0.791 K(o=-0.79,f=-2!) USER MOD Single : A 21 MET CE :methyl 154:sc= -0.0835 (180deg=-0.605) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-2.9!) 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 -84:sc= 1.13 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0.0118 (180deg=0.000731) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0843 (180deg=-0.491) USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= -0.0715 (180deg=-1.3) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 2:sc= -1.84! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.897 -6.056 -14.867 1.00 5.27 N ATOM 2 CA SER A 1 6.969 -6.847 -13.611 1.00 4.57 C ATOM 3 C SER A 1 6.513 -6.013 -12.418 1.00 3.87 C ATOM 4 O SER A 1 7.012 -4.911 -12.191 1.00 4.07 O ATOM 5 CB SER A 1 8.399 -7.342 -13.383 1.00 4.91 C ATOM 6 OG SER A 1 8.482 -8.147 -12.219 1.00 5.15 O ATOM 0 H1 SER A 1 7.212 -6.643 -15.666 1.00 5.27 H new ATOM 0 H2 SER A 1 5.916 -5.749 -15.028 1.00 5.27 H new ATOM 0 H3 SER A 1 7.512 -5.221 -14.787 1.00 5.27 H new ATOM 0 HA SER A 1 6.303 -7.704 -13.708 1.00 4.57 H new ATOM 0 HB2 SER A 1 8.731 -7.915 -14.249 1.00 4.91 H new ATOM 0 HB3 SER A 1 9.071 -6.489 -13.288 1.00 4.91 H new ATOM 0 HG SER A 1 9.405 -8.452 -12.097 1.00 5.15 H new ATOM 14 N ASN A 2 5.562 -6.547 -11.658 1.00 3.40 N ATOM 15 CA ASN A 2 5.035 -5.850 -10.490 1.00 2.96 C ATOM 16 C ASN A 2 5.222 -6.683 -9.226 1.00 2.16 C ATOM 17 O ASN A 2 5.631 -7.842 -9.290 1.00 2.43 O ATOM 18 CB ASN A 2 3.554 -5.526 -10.691 1.00 3.50 C ATOM 19 CG ASN A 2 2.711 -6.770 -10.894 1.00 3.39 C ATOM 20 OD1 ASN A 2 2.177 -7.307 -9.803 1.00 3.86 O flip ATOM 21 ND2 ASN A 2 2.541 -7.241 -12.018 1.00 3.25 N flip ATOM 0 H ASN A 2 5.141 -7.460 -11.830 1.00 3.40 H new ATOM 0 HA ASN A 2 5.590 -4.920 -10.371 1.00 2.96 H new ATOM 0 HB2 ASN A 2 3.184 -4.978 -9.825 1.00 3.50 H new ATOM 0 HB3 ASN A 2 3.443 -4.870 -11.555 1.00 3.50 H new ATOM 0 HD21 ASN A 2 2.971 -6.795 -12.828 1.00 3.25 H new ATOM 0 HD22 ASN A 2 1.970 -8.078 -12.139 1.00 3.25 H new ATOM 28 N SER A 3 4.920 -6.082 -8.078 1.00 1.75 N ATOM 29 CA SER A 3 5.059 -6.765 -6.796 1.00 1.09 C ATOM 30 C SER A 3 3.740 -7.401 -6.368 1.00 0.88 C ATOM 31 O SER A 3 3.301 -7.237 -5.230 1.00 1.68 O ATOM 32 CB SER A 3 5.538 -5.786 -5.723 1.00 1.05 C ATOM 33 OG SER A 3 6.840 -5.310 -6.013 1.00 1.79 O ATOM 0 H SER A 3 4.578 -5.124 -8.010 1.00 1.75 H new ATOM 0 HA SER A 3 5.799 -7.556 -6.915 1.00 1.09 H new ATOM 0 HB2 SER A 3 4.846 -4.946 -5.658 1.00 1.05 H new ATOM 0 HB3 SER A 3 5.535 -6.278 -4.750 1.00 1.05 H new ATOM 0 HG SER A 3 7.287 -5.932 -6.624 1.00 1.79 H new ATOM 39 N SER A 4 3.115 -8.128 -7.290 1.00 0.65 N ATOM 40 CA SER A 4 1.849 -8.799 -7.014 1.00 0.69 C ATOM 41 C SER A 4 0.789 -7.815 -6.522 1.00 0.84 C ATOM 42 O SER A 4 0.227 -7.984 -5.440 1.00 1.84 O ATOM 43 CB SER A 4 2.049 -9.912 -5.982 1.00 1.16 C ATOM 44 OG SER A 4 2.898 -10.929 -6.484 1.00 1.99 O ATOM 0 H SER A 4 3.466 -8.267 -8.237 1.00 0.65 H new ATOM 0 HA SER A 4 1.496 -9.236 -7.949 1.00 0.69 H new ATOM 0 HB2 SER A 4 2.477 -9.494 -5.071 1.00 1.16 H new ATOM 0 HB3 SER A 4 1.083 -10.340 -5.713 1.00 1.16 H new ATOM 0 HG SER A 4 3.010 -11.626 -5.805 1.00 1.99 H new ATOM 50 N MET A 5 0.524 -6.784 -7.319 1.00 0.47 N ATOM 51 CA MET A 5 -0.482 -5.788 -6.965 1.00 0.38 C ATOM 52 C MET A 5 -1.882 -6.371 -7.128 1.00 0.54 C ATOM 53 O MET A 5 -2.419 -6.413 -8.234 1.00 1.22 O ATOM 54 CB MET A 5 -0.333 -4.544 -7.838 1.00 0.40 C ATOM 55 CG MET A 5 0.679 -3.553 -7.296 1.00 0.34 C ATOM 56 SD MET A 5 2.345 -4.234 -7.218 1.00 0.56 S ATOM 57 CE MET A 5 3.215 -2.872 -6.452 1.00 0.37 C ATOM 0 H MET A 5 0.990 -6.617 -8.211 1.00 0.47 H new ATOM 0 HA MET A 5 -0.334 -5.505 -5.923 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.035 -4.846 -8.842 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.302 -4.052 -7.927 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.684 -2.663 -7.926 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.373 -3.236 -6.299 1.00 0.34 H new ATOM 0 HE1 MET A 5 4.206 -2.778 -6.895 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.657 -1.949 -6.611 1.00 0.37 H new ATOM 0 HE3 MET A 5 3.312 -3.058 -5.382 1.00 0.37 H new ATOM 67 N ASN A 6 -2.466 -6.825 -6.022 1.00 0.27 N ATOM 68 CA ASN A 6 -3.801 -7.417 -6.047 1.00 0.24 C ATOM 69 C ASN A 6 -4.867 -6.390 -5.665 1.00 0.24 C ATOM 70 O ASN A 6 -5.040 -6.091 -4.487 1.00 0.25 O ATOM 71 CB ASN A 6 -3.866 -8.606 -5.086 1.00 0.28 C ATOM 72 CG ASN A 6 -2.755 -9.608 -5.332 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.721 -9.580 -4.666 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.962 -10.497 -6.296 1.00 0.87 N ATOM 0 H ASN A 6 -2.036 -6.794 -5.098 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.999 -7.758 -7.063 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.805 -8.244 -4.060 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.830 -9.103 -5.192 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.248 -11.194 -6.509 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.835 -10.483 -6.823 1.00 0.87 H new ATOM 81 N PRO A 7 -5.617 -5.846 -6.646 1.00 0.25 N ATOM 82 CA PRO A 7 -6.659 -4.849 -6.373 1.00 0.26 C ATOM 83 C PRO A 7 -7.701 -5.355 -5.382 1.00 0.26 C ATOM 84 O PRO A 7 -8.498 -4.580 -4.862 1.00 0.26 O ATOM 85 CB PRO A 7 -7.296 -4.602 -7.744 1.00 0.28 C ATOM 86 CG PRO A 7 -6.262 -5.022 -8.729 1.00 0.43 C ATOM 87 CD PRO A 7 -5.526 -6.160 -8.083 1.00 0.29 C ATOM 0 HA PRO A 7 -6.247 -3.949 -5.917 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.213 -5.179 -7.863 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.561 -3.553 -7.873 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.719 -5.334 -9.668 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.585 -4.200 -8.962 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.986 -7.121 -8.315 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.490 -6.213 -8.419 1.00 0.29 H new ATOM 95 N LYS A 8 -7.703 -6.661 -5.135 1.00 0.30 N ATOM 96 CA LYS A 8 -8.648 -7.250 -4.196 1.00 0.33 C ATOM 97 C LYS A 8 -8.181 -7.044 -2.760 1.00 0.27 C ATOM 98 O LYS A 8 -8.915 -6.513 -1.928 1.00 0.26 O ATOM 99 CB LYS A 8 -8.833 -8.743 -4.473 1.00 0.43 C ATOM 100 CG LYS A 8 -9.217 -9.054 -5.909 1.00 0.77 C ATOM 101 CD LYS A 8 -7.989 -9.270 -6.776 1.00 0.59 C ATOM 102 CE LYS A 8 -8.156 -8.633 -8.144 1.00 0.73 C ATOM 103 NZ LYS A 8 -7.040 -8.990 -9.062 1.00 1.39 N ATOM 0 H LYS A 8 -7.065 -7.327 -5.570 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.606 -6.749 -4.330 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.907 -9.266 -4.232 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.602 -9.134 -3.807 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.844 -9.945 -5.935 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.811 -8.235 -6.314 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.114 -8.848 -6.281 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.806 -10.338 -6.891 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.102 -8.953 -8.581 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -8.205 -7.549 -8.036 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -6.984 -8.290 -9.829 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.144 -8.997 -8.533 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -7.211 -9.933 -9.466 1.00 1.39 H new ATOM 117 N SER A 9 -6.955 -7.470 -2.482 1.00 0.26 N ATOM 118 CA SER A 9 -6.385 -7.343 -1.146 1.00 0.26 C ATOM 119 C SER A 9 -5.971 -5.908 -0.858 1.00 0.19 C ATOM 120 O SER A 9 -6.185 -5.400 0.243 1.00 0.23 O ATOM 121 CB SER A 9 -5.184 -8.277 -0.995 1.00 0.33 C ATOM 122 OG SER A 9 -5.582 -9.634 -1.058 1.00 0.71 O ATOM 0 H SER A 9 -6.336 -7.907 -3.165 1.00 0.26 H new ATOM 0 HA SER A 9 -7.151 -7.625 -0.424 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.458 -8.071 -1.782 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.687 -8.084 -0.044 1.00 0.33 H new ATOM 0 HG SER A 9 -4.795 -10.210 -0.961 1.00 0.71 H new ATOM 128 N LEU A 10 -5.370 -5.261 -1.846 1.00 0.15 N ATOM 129 CA LEU A 10 -4.931 -3.883 -1.702 1.00 0.20 C ATOM 130 C LEU A 10 -6.098 -2.966 -1.376 1.00 0.19 C ATOM 131 O LEU A 10 -5.902 -1.815 -0.998 1.00 0.27 O ATOM 132 CB LEU A 10 -4.257 -3.410 -2.987 1.00 0.24 C ATOM 133 CG LEU A 10 -3.059 -4.246 -3.429 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.573 -3.798 -4.795 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.942 -4.150 -2.406 1.00 0.50 C ATOM 0 H LEU A 10 -5.175 -5.671 -2.759 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.218 -3.844 -0.878 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.996 -3.408 -3.788 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.932 -2.379 -2.851 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.371 -5.288 -3.502 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.718 -4.405 -5.094 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.375 -3.917 -5.523 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.276 -2.750 -4.750 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.095 -4.751 -2.735 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.631 -3.110 -2.303 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.297 -4.519 -1.444 1.00 0.50 H new ATOM 147 N THR A 11 -7.312 -3.471 -1.521 1.00 0.14 N ATOM 148 CA THR A 11 -8.489 -2.660 -1.251 1.00 0.18 C ATOM 149 C THR A 11 -9.399 -3.325 -0.226 1.00 0.15 C ATOM 150 O THR A 11 -10.596 -3.045 -0.164 1.00 0.18 O ATOM 151 CB THR A 11 -9.263 -2.379 -2.549 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.938 -3.565 -2.985 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.309 -1.897 -3.637 1.00 0.35 C ATOM 0 H THR A 11 -7.508 -4.426 -1.820 1.00 0.14 H new ATOM 0 HA THR A 11 -8.148 -1.712 -0.834 1.00 0.18 H new ATOM 0 HB THR A 11 -10.001 -1.600 -2.355 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.290 -4.183 -3.382 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.869 -1.701 -4.551 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.817 -0.981 -3.310 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.558 -2.664 -3.828 1.00 0.35 H new ATOM 161 N ASP A 12 -8.814 -4.206 0.577 1.00 0.11 N ATOM 162 CA ASP A 12 -9.547 -4.903 1.618 1.00 0.12 C ATOM 163 C ASP A 12 -9.077 -4.385 2.971 1.00 0.11 C ATOM 164 O ASP A 12 -7.919 -4.587 3.338 1.00 0.10 O ATOM 165 CB ASP A 12 -9.323 -6.412 1.516 1.00 0.14 C ATOM 166 CG ASP A 12 -10.332 -7.203 2.326 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.449 -7.433 1.819 1.00 0.57 O ATOM 168 OD2 ASP A 12 -10.004 -7.593 3.465 1.00 0.51 O ATOM 0 H ASP A 12 -7.826 -4.453 0.523 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.615 -4.718 1.502 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.382 -6.715 0.471 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.317 -6.651 1.861 1.00 0.14 H new ATOM 173 N PRO A 13 -9.955 -3.704 3.732 1.00 0.11 N ATOM 174 CA PRO A 13 -9.595 -3.134 5.029 1.00 0.11 C ATOM 175 C PRO A 13 -8.774 -4.072 5.909 1.00 0.12 C ATOM 176 O PRO A 13 -8.121 -3.625 6.847 1.00 0.13 O ATOM 177 CB PRO A 13 -10.948 -2.841 5.667 1.00 0.12 C ATOM 178 CG PRO A 13 -11.814 -2.505 4.509 1.00 0.12 C ATOM 179 CD PRO A 13 -11.365 -3.414 3.392 1.00 0.11 C ATOM 0 HA PRO A 13 -8.954 -2.260 4.913 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.328 -3.703 6.215 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.887 -2.015 6.375 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.866 -2.665 4.746 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.706 -1.457 4.229 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.963 -4.324 3.349 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.452 -2.929 2.420 1.00 0.11 H new ATOM 187 N LYS A 14 -8.816 -5.370 5.626 1.00 0.13 N ATOM 188 CA LYS A 14 -8.045 -6.326 6.414 1.00 0.15 C ATOM 189 C LYS A 14 -6.563 -5.994 6.295 1.00 0.13 C ATOM 190 O LYS A 14 -5.873 -5.797 7.295 1.00 0.16 O ATOM 191 CB LYS A 14 -8.307 -7.761 5.943 1.00 0.18 C ATOM 192 CG LYS A 14 -8.142 -8.811 7.038 1.00 0.34 C ATOM 193 CD LYS A 14 -6.752 -8.782 7.663 1.00 0.60 C ATOM 194 CE LYS A 14 -5.670 -9.096 6.643 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.830 -10.457 6.062 1.00 1.37 N ATOM 0 H LYS A 14 -9.365 -5.779 4.870 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.353 -6.255 7.457 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.319 -7.823 5.544 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.626 -7.994 5.124 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.890 -8.645 7.813 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.330 -9.800 6.621 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.569 -7.799 8.097 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.704 -9.504 8.478 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.699 -8.355 5.844 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.691 -9.017 7.116 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.972 -10.711 5.532 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -5.981 -11.145 6.827 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.649 -10.467 5.421 1.00 1.37 H new ATOM 209 N LEU A 15 -6.087 -5.931 5.058 1.00 0.09 N ATOM 210 CA LEU A 15 -4.698 -5.603 4.781 1.00 0.08 C ATOM 211 C LEU A 15 -4.444 -4.134 5.047 1.00 0.08 C ATOM 212 O LEU A 15 -3.445 -3.756 5.649 1.00 0.09 O ATOM 213 CB LEU A 15 -4.362 -5.895 3.316 1.00 0.08 C ATOM 214 CG LEU A 15 -4.335 -7.367 2.914 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.354 -8.118 3.790 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.724 -7.981 3.000 1.00 0.12 C ATOM 0 H LEU A 15 -6.650 -6.105 4.225 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.072 -6.213 5.432 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.090 -5.381 2.688 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.387 -5.461 3.094 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.008 -7.442 1.877 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.338 -9.169 3.500 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.358 -7.692 3.668 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.660 -8.034 4.833 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.677 -9.030 2.708 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.093 -7.905 4.023 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.399 -7.448 2.330 1.00 0.12 H new ATOM 228 N LEU A 16 -5.367 -3.314 4.580 1.00 0.10 N ATOM 229 CA LEU A 16 -5.269 -1.875 4.730 1.00 0.12 C ATOM 230 C LEU A 16 -5.032 -1.476 6.184 1.00 0.16 C ATOM 231 O LEU A 16 -4.119 -0.705 6.481 1.00 0.27 O ATOM 232 CB LEU A 16 -6.540 -1.232 4.182 1.00 0.10 C ATOM 233 CG LEU A 16 -6.922 -1.703 2.781 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.317 -1.227 2.412 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.896 -1.214 1.772 1.00 0.18 C ATOM 0 H LEU A 16 -6.204 -3.626 4.087 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.409 -1.518 4.164 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.364 -1.444 4.863 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.410 -0.150 4.167 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.930 -2.793 2.768 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.567 -1.575 1.410 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.038 -1.626 3.125 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.348 -0.138 2.436 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.176 -1.554 0.775 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.861 -0.125 1.787 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.914 -1.612 2.029 1.00 0.18 H new ATOM 247 N LYS A 17 -5.854 -2.001 7.085 1.00 0.14 N ATOM 248 CA LYS A 17 -5.709 -1.702 8.505 1.00 0.17 C ATOM 249 C LYS A 17 -4.412 -2.299 9.038 1.00 0.18 C ATOM 250 O LYS A 17 -3.872 -1.844 10.047 1.00 0.22 O ATOM 251 CB LYS A 17 -6.902 -2.244 9.286 1.00 0.19 C ATOM 252 CG LYS A 17 -8.207 -1.557 8.938 1.00 0.20 C ATOM 253 CD LYS A 17 -9.384 -2.285 9.553 1.00 0.24 C ATOM 254 CE LYS A 17 -10.693 -1.593 9.234 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.028 -0.551 10.244 1.00 0.88 N ATOM 0 H LYS A 17 -6.623 -2.632 6.860 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.674 -0.620 8.632 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.999 -3.312 9.093 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.712 -2.129 10.353 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.186 -0.527 9.293 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.324 -1.518 7.855 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.413 -3.310 9.183 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.254 -2.340 10.634 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.631 -1.136 8.247 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -11.494 -2.331 9.194 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -11.504 0.246 9.776 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.659 -0.956 10.965 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -10.155 -0.214 10.698 1.00 0.88 H new ATOM 269 N ASN A 18 -3.921 -3.324 8.347 1.00 0.14 N ATOM 270 CA ASN A 18 -2.681 -3.989 8.724 1.00 0.15 C ATOM 271 C ASN A 18 -1.665 -3.848 7.600 1.00 0.13 C ATOM 272 O ASN A 18 -1.343 -4.823 6.927 1.00 0.11 O ATOM 273 CB ASN A 18 -2.933 -5.476 9.007 1.00 0.16 C ATOM 274 CG ASN A 18 -2.132 -5.982 10.192 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.778 -5.217 11.089 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.851 -7.280 10.205 1.00 0.53 N ATOM 0 H ASN A 18 -4.368 -3.713 7.517 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.294 -3.521 9.629 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -3.995 -5.632 9.196 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.677 -6.060 8.123 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.322 -7.679 10.980 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.165 -7.877 9.440 1.00 0.53 H new ATOM 283 N ILE A 19 -1.173 -2.624 7.395 1.00 0.13 N ATOM 284 CA ILE A 19 -0.204 -2.355 6.336 1.00 0.12 C ATOM 285 C ILE A 19 0.842 -3.465 6.224 1.00 0.10 C ATOM 286 O ILE A 19 1.115 -3.932 5.121 1.00 0.09 O ATOM 287 CB ILE A 19 0.498 -0.992 6.520 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.464 0.161 6.204 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.732 -0.904 5.630 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.003 0.142 4.785 1.00 0.49 C ATOM 0 H ILE A 19 -1.430 -1.807 7.948 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.776 -2.322 5.408 1.00 0.12 H new ATOM 0 HB ILE A 19 0.809 -0.908 7.561 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.301 0.124 6.901 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.050 1.107 6.374 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.215 0.063 5.772 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.429 -1.700 5.894 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.436 -1.012 4.586 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.675 0.988 4.640 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.174 0.212 4.080 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.547 -0.787 4.615 1.00 0.49 H new ATOM 302 N PRO A 20 1.462 -3.897 7.341 1.00 0.12 N ATOM 303 CA PRO A 20 2.451 -4.977 7.304 1.00 0.12 C ATOM 304 C PRO A 20 1.944 -6.153 6.482 1.00 0.11 C ATOM 305 O PRO A 20 2.662 -6.718 5.658 1.00 0.14 O ATOM 306 CB PRO A 20 2.574 -5.378 8.769 1.00 0.14 C ATOM 307 CG PRO A 20 2.307 -4.119 9.516 1.00 0.15 C ATOM 308 CD PRO A 20 1.281 -3.368 8.710 1.00 0.14 C ATOM 0 HA PRO A 20 3.394 -4.673 6.850 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.857 -6.156 9.030 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.566 -5.771 8.992 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.936 -4.331 10.519 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.219 -3.533 9.631 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.271 -3.547 9.079 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.449 -2.292 8.750 1.00 0.14 H new ATOM 316 N MET A 21 0.690 -6.504 6.731 1.00 0.10 N ATOM 317 CA MET A 21 0.027 -7.590 6.029 1.00 0.10 C ATOM 318 C MET A 21 -0.257 -7.170 4.589 1.00 0.08 C ATOM 319 O MET A 21 -0.095 -7.953 3.653 1.00 0.10 O ATOM 320 CB MET A 21 -1.262 -7.937 6.771 1.00 0.13 C ATOM 321 CG MET A 21 -1.754 -9.358 6.554 1.00 0.25 C ATOM 322 SD MET A 21 -0.453 -10.599 6.720 1.00 0.94 S ATOM 323 CE MET A 21 0.312 -10.110 8.264 1.00 0.54 C ATOM 0 H MET A 21 0.104 -6.042 7.427 1.00 0.10 H new ATOM 0 HA MET A 21 0.665 -8.474 6.000 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.105 -7.780 7.838 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.043 -7.244 6.458 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.546 -9.574 7.271 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.194 -9.435 5.560 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.782 -10.977 8.728 1.00 0.54 H new ATOM 0 HE2 MET A 21 1.067 -9.348 8.071 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.447 -9.707 8.935 1.00 0.54 H new ATOM 333 N TRP A 22 -0.702 -5.928 4.431 1.00 0.06 N ATOM 334 CA TRP A 22 -0.970 -5.353 3.122 1.00 0.06 C ATOM 335 C TRP A 22 0.250 -5.512 2.223 1.00 0.06 C ATOM 336 O TRP A 22 0.132 -5.763 1.024 1.00 0.08 O ATOM 337 CB TRP A 22 -1.318 -3.875 3.304 1.00 0.07 C ATOM 338 CG TRP A 22 -1.737 -3.172 2.055 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.960 -3.227 1.449 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.934 -2.292 1.266 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.965 -2.432 0.330 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.731 -1.851 0.193 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.385 -1.835 1.361 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.255 -0.976 -0.778 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.857 -0.967 0.395 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.038 -0.545 -0.663 1.00 0.11 C ATOM 0 H TRP A 22 -0.886 -5.293 5.208 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.806 -5.868 2.649 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.120 -3.793 4.037 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.452 -3.361 3.720 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.799 -3.810 1.799 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.758 -2.296 -0.297 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.021 -2.154 2.173 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.884 -0.649 -1.593 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.874 -0.607 0.455 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.437 0.134 -1.402 1.00 0.11 H new ATOM 357 N LEU A 23 1.425 -5.364 2.827 1.00 0.06 N ATOM 358 CA LEU A 23 2.683 -5.509 2.122 1.00 0.08 C ATOM 359 C LEU A 23 2.988 -6.981 1.884 1.00 0.10 C ATOM 360 O LEU A 23 3.686 -7.334 0.935 1.00 0.13 O ATOM 361 CB LEU A 23 3.804 -4.883 2.942 1.00 0.09 C ATOM 362 CG LEU A 23 3.771 -3.360 3.039 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.773 -2.877 4.072 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.057 -2.733 1.685 1.00 0.10 C ATOM 0 H LEU A 23 1.526 -5.141 3.817 1.00 0.06 H new ATOM 0 HA LEU A 23 2.607 -5.003 1.159 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.768 -5.295 3.950 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.759 -5.182 2.509 1.00 0.09 H new ATOM 0 HG LEU A 23 2.773 -3.054 3.354 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.739 -1.789 4.131 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.525 -3.301 5.045 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.775 -3.194 3.783 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.029 -1.647 1.774 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.044 -3.044 1.341 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.304 -3.058 0.967 1.00 0.10 H new ATOM 376 N LYS A 24 2.473 -7.836 2.767 1.00 0.10 N ATOM 377 CA LYS A 24 2.678 -9.268 2.653 1.00 0.13 C ATOM 378 C LYS A 24 2.179 -9.757 1.299 1.00 0.13 C ATOM 379 O LYS A 24 2.790 -10.623 0.673 1.00 0.16 O ATOM 380 CB LYS A 24 1.946 -9.994 3.785 1.00 0.17 C ATOM 381 CG LYS A 24 2.825 -10.929 4.594 1.00 0.51 C ATOM 382 CD LYS A 24 3.074 -12.232 3.863 1.00 1.24 C ATOM 383 CE LYS A 24 4.266 -12.126 2.926 1.00 2.30 C ATOM 384 NZ LYS A 24 4.395 -13.325 2.052 1.00 3.29 N ATOM 0 H LYS A 24 1.910 -7.554 3.569 1.00 0.10 H new ATOM 0 HA LYS A 24 3.743 -9.484 2.733 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.510 -9.253 4.455 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.120 -10.565 3.361 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.777 -10.442 4.806 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.352 -11.134 5.554 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.248 -13.029 4.586 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.186 -12.507 3.294 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.163 -11.235 2.307 1.00 2.30 H new ATOM 0 HE3 LYS A 24 5.178 -12.004 3.511 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.220 -13.213 1.428 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.519 -14.173 2.642 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.536 -13.428 1.475 1.00 3.29 H new ATOM 398 N SER A 25 1.062 -9.189 0.853 1.00 0.13 N ATOM 399 CA SER A 25 0.482 -9.545 -0.434 1.00 0.15 C ATOM 400 C SER A 25 1.271 -8.893 -1.566 1.00 0.14 C ATOM 401 O SER A 25 1.100 -9.233 -2.737 1.00 0.20 O ATOM 402 CB SER A 25 -0.989 -9.115 -0.496 1.00 0.20 C ATOM 403 OG SER A 25 -1.732 -9.692 0.563 1.00 0.96 O ATOM 0 H SER A 25 0.541 -8.479 1.367 1.00 0.13 H new ATOM 0 HA SER A 25 0.532 -10.628 -0.550 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.056 -8.028 -0.442 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.419 -9.414 -1.452 1.00 0.20 H new ATOM 0 HG SER A 25 -2.666 -9.402 0.503 1.00 0.96 H new ATOM 409 N LEU A 26 2.138 -7.953 -1.200 1.00 0.12 N ATOM 410 CA LEU A 26 2.969 -7.243 -2.169 1.00 0.13 C ATOM 411 C LEU A 26 4.427 -7.666 -2.048 1.00 0.16 C ATOM 412 O LEU A 26 5.297 -7.138 -2.742 1.00 0.28 O ATOM 413 CB LEU A 26 2.854 -5.736 -1.955 1.00 0.14 C ATOM 414 CG LEU A 26 1.433 -5.192 -2.008 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.404 -3.730 -1.585 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.852 -5.363 -3.404 1.00 0.66 C ATOM 0 H LEU A 26 2.284 -7.664 -0.233 1.00 0.12 H new ATOM 0 HA LEU A 26 2.615 -7.496 -3.168 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.288 -5.486 -0.987 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.451 -5.229 -2.713 1.00 0.14 H new ATOM 0 HG LEU A 26 0.818 -5.759 -1.309 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.380 -3.359 -1.629 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.779 -3.639 -0.566 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.032 -3.144 -2.257 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.164 -4.969 -3.426 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.467 -4.821 -4.123 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.837 -6.421 -3.665 1.00 0.66 H new ATOM 428 N ARG A 27 4.682 -8.609 -1.148 1.00 0.15 N ATOM 429 CA ARG A 27 6.031 -9.123 -0.918 1.00 0.21 C ATOM 430 C ARG A 27 6.941 -8.063 -0.302 1.00 0.21 C ATOM 431 O ARG A 27 8.156 -8.245 -0.235 1.00 0.35 O ATOM 432 CB ARG A 27 6.642 -9.644 -2.224 1.00 0.31 C ATOM 433 CG ARG A 27 6.186 -11.046 -2.590 1.00 1.11 C ATOM 434 CD ARG A 27 6.873 -12.090 -1.726 1.00 2.02 C ATOM 435 NE ARG A 27 8.289 -12.226 -2.057 1.00 2.71 N ATOM 436 CZ ARG A 27 9.075 -13.177 -1.562 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.586 -14.074 -0.717 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.353 -13.233 -1.915 1.00 4.34 N ATOM 0 H ARG A 27 3.967 -9.037 -0.560 1.00 0.15 H new ATOM 0 HA ARG A 27 5.947 -9.948 -0.210 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.382 -8.963 -3.034 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.728 -9.635 -2.136 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.106 -11.123 -2.468 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.403 -11.239 -3.641 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.770 -11.816 -0.676 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.376 -13.052 -1.855 1.00 2.02 H new ATOM 0 HE ARG A 27 8.698 -11.553 -2.705 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.604 -14.036 -0.445 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.192 -14.802 -0.339 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.733 -12.546 -2.566 1.00 4.34 H new ATOM 0 HH22 ARG A 27 10.956 -13.963 -1.535 1.00 4.34 H new ATOM 452 N LEU A 28 6.354 -6.956 0.147 1.00 0.14 N ATOM 453 CA LEU A 28 7.127 -5.883 0.763 1.00 0.14 C ATOM 454 C LEU A 28 6.955 -5.882 2.272 1.00 0.13 C ATOM 455 O LEU A 28 7.148 -4.855 2.921 1.00 0.13 O ATOM 456 CB LEU A 28 6.730 -4.522 0.186 1.00 0.16 C ATOM 457 CG LEU A 28 7.125 -4.301 -1.275 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.906 -3.943 -2.109 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.181 -3.215 -1.384 1.00 0.67 C ATOM 0 H LEU A 28 5.351 -6.780 0.096 1.00 0.14 H new ATOM 0 HA LEU A 28 8.178 -6.063 0.537 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.650 -4.407 0.276 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.186 -3.740 0.793 1.00 0.16 H new ATOM 0 HG LEU A 28 7.546 -5.230 -1.661 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.207 -3.789 -3.145 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.179 -4.754 -2.058 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.456 -3.028 -1.722 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.449 -3.072 -2.431 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.787 -2.283 -0.980 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.066 -3.510 -0.820 1.00 0.67 H new ATOM 471 N HIS A 29 6.570 -7.029 2.834 1.00 0.13 N ATOM 472 CA HIS A 29 6.448 -7.140 4.280 1.00 0.13 C ATOM 473 C HIS A 29 7.818 -6.862 4.867 1.00 0.12 C ATOM 474 O HIS A 29 7.992 -6.665 6.068 1.00 0.13 O ATOM 475 CB HIS A 29 5.972 -8.532 4.691 1.00 0.14 C ATOM 476 CG HIS A 29 6.796 -9.637 4.105 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.688 -10.039 2.789 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.754 -10.421 4.657 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.540 -11.021 2.559 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.199 -11.270 3.676 1.00 0.24 N ATOM 0 H HIS A 29 6.342 -7.878 2.317 1.00 0.13 H new ATOM 0 HA HIS A 29 5.710 -6.428 4.649 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.993 -8.609 5.778 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.934 -8.659 4.383 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.102 -10.384 5.679 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.675 -11.533 1.618 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.923 -11.980 3.791 1.00 0.24 H new ATOM 489 N LYS A 30 8.790 -6.874 3.963 1.00 0.12 N ATOM 490 CA LYS A 30 10.176 -6.594 4.278 1.00 0.12 C ATOM 491 C LYS A 30 10.281 -5.189 4.846 1.00 0.11 C ATOM 492 O LYS A 30 11.069 -4.917 5.753 1.00 0.17 O ATOM 493 CB LYS A 30 11.015 -6.713 2.999 1.00 0.15 C ATOM 494 CG LYS A 30 10.251 -6.393 1.732 1.00 0.28 C ATOM 495 CD LYS A 30 11.185 -6.060 0.588 1.00 0.59 C ATOM 496 CE LYS A 30 10.469 -6.139 -0.745 1.00 0.65 C ATOM 497 NZ LYS A 30 11.417 -6.095 -1.893 1.00 0.72 N ATOM 0 H LYS A 30 8.630 -7.082 2.977 1.00 0.12 H new ATOM 0 HA LYS A 30 10.547 -7.306 5.015 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.871 -6.043 3.074 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.409 -7.727 2.928 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.627 -7.244 1.458 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.581 -5.552 1.913 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.591 -5.058 0.727 1.00 0.59 H new ATOM 0 HD3 LYS A 30 12.029 -6.750 0.592 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.888 -7.060 -0.790 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.763 -5.313 -0.826 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.885 -6.152 -2.785 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.954 -5.205 -1.866 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 12.075 -6.898 -1.831 1.00 0.72 H new ATOM 511 N TYR A 31 9.466 -4.309 4.285 1.00 0.10 N ATOM 512 CA TYR A 31 9.404 -2.922 4.702 1.00 0.10 C ATOM 513 C TYR A 31 8.150 -2.672 5.523 1.00 0.11 C ATOM 514 O TYR A 31 7.683 -1.540 5.637 1.00 0.16 O ATOM 515 CB TYR A 31 9.423 -2.018 3.473 1.00 0.12 C ATOM 516 CG TYR A 31 10.684 -2.154 2.656 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.937 -1.981 3.233 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.619 -2.465 1.308 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.091 -2.113 2.483 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.769 -2.599 0.551 1.00 0.20 C ATOM 521 CZ TYR A 31 13.002 -2.422 1.143 1.00 0.23 C ATOM 522 OH TYR A 31 14.148 -2.554 0.392 1.00 0.28 O ATOM 0 H TYR A 31 8.827 -4.541 3.524 1.00 0.10 H new ATOM 0 HA TYR A 31 10.270 -2.697 5.324 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.563 -2.251 2.845 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.313 -0.981 3.791 1.00 0.12 H new ATOM 0 HD1 TYR A 31 12.010 -1.740 4.283 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.656 -2.605 0.841 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.057 -1.975 2.945 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.702 -2.841 -0.499 1.00 0.20 H new ATOM 0 HH TYR A 31 13.910 -2.774 -0.533 1.00 0.28 H new ATOM 532 N SER A 32 7.605 -3.745 6.094 1.00 0.10 N ATOM 533 CA SER A 32 6.405 -3.645 6.907 1.00 0.12 C ATOM 534 C SER A 32 6.658 -2.753 8.107 1.00 0.13 C ATOM 535 O SER A 32 5.854 -1.889 8.425 1.00 0.16 O ATOM 536 CB SER A 32 5.950 -5.028 7.375 1.00 0.13 C ATOM 537 OG SER A 32 6.917 -5.624 8.223 1.00 1.30 O ATOM 0 H SER A 32 7.978 -4.690 6.006 1.00 0.10 H new ATOM 0 HA SER A 32 5.615 -3.208 6.296 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.001 -4.942 7.905 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.776 -5.669 6.511 1.00 0.13 H new ATOM 0 HG SER A 32 7.601 -6.067 7.679 1.00 1.30 H new ATOM 543 N ASP A 33 7.783 -2.974 8.769 1.00 0.12 N ATOM 544 CA ASP A 33 8.150 -2.183 9.937 1.00 0.14 C ATOM 545 C ASP A 33 8.252 -0.702 9.585 1.00 0.14 C ATOM 546 O ASP A 33 7.846 0.163 10.361 1.00 0.20 O ATOM 547 CB ASP A 33 9.483 -2.668 10.500 1.00 0.17 C ATOM 548 CG ASP A 33 9.718 -2.197 11.923 1.00 1.10 C ATOM 549 OD1 ASP A 33 10.165 -1.044 12.100 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.454 -2.981 12.859 1.00 1.00 O ATOM 0 H ASP A 33 8.460 -3.695 8.518 1.00 0.12 H new ATOM 0 HA ASP A 33 7.370 -2.308 10.688 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.511 -3.757 10.472 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.294 -2.312 9.864 1.00 0.17 H new ATOM 555 N ALA A 34 8.801 -0.424 8.408 1.00 0.12 N ATOM 556 CA ALA A 34 8.982 0.951 7.943 1.00 0.13 C ATOM 557 C ALA A 34 7.693 1.564 7.405 1.00 0.12 C ATOM 558 O ALA A 34 7.525 2.783 7.424 1.00 0.15 O ATOM 559 CB ALA A 34 10.065 1.001 6.874 1.00 0.15 C ATOM 0 H ALA A 34 9.131 -1.134 7.754 1.00 0.12 H new ATOM 0 HA ALA A 34 9.284 1.543 8.807 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.193 2.029 6.534 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.004 0.637 7.290 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.774 0.373 6.032 1.00 0.15 H new ATOM 565 N LEU A 35 6.782 0.724 6.938 1.00 0.10 N ATOM 566 CA LEU A 35 5.529 1.206 6.368 1.00 0.09 C ATOM 567 C LEU A 35 4.339 0.981 7.301 1.00 0.09 C ATOM 568 O LEU A 35 3.242 1.471 7.037 1.00 0.12 O ATOM 569 CB LEU A 35 5.276 0.506 5.030 1.00 0.09 C ATOM 570 CG LEU A 35 5.925 1.139 3.787 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.057 2.103 4.147 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.429 0.047 2.845 1.00 0.14 C ATOM 0 H LEU A 35 6.884 -0.291 6.941 1.00 0.10 H new ATOM 0 HA LEU A 35 5.626 2.282 6.222 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.628 -0.522 5.112 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.199 0.462 4.867 1.00 0.09 H new ATOM 0 HG LEU A 35 5.158 1.726 3.282 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.482 2.523 3.235 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.665 2.908 4.769 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.832 1.566 4.694 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.887 0.505 1.968 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.168 -0.566 3.361 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.593 -0.578 2.533 1.00 0.14 H new ATOM 584 N SER A 36 4.558 0.258 8.393 1.00 0.10 N ATOM 585 CA SER A 36 3.482 -0.035 9.335 1.00 0.10 C ATOM 586 C SER A 36 3.011 1.225 10.046 1.00 0.10 C ATOM 587 O SER A 36 1.809 1.471 10.160 1.00 0.11 O ATOM 588 CB SER A 36 3.931 -1.068 10.370 1.00 0.13 C ATOM 589 OG SER A 36 2.882 -1.377 11.270 1.00 0.95 O ATOM 0 H SER A 36 5.464 -0.134 8.648 1.00 0.10 H new ATOM 0 HA SER A 36 2.651 -0.443 8.760 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.259 -1.976 9.864 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.788 -0.684 10.923 1.00 0.13 H new ATOM 0 HG SER A 36 3.194 -2.040 11.920 1.00 0.95 H new ATOM 595 N GLY A 37 3.964 2.019 10.529 1.00 0.12 N ATOM 596 CA GLY A 37 3.626 3.249 11.223 1.00 0.13 C ATOM 597 C GLY A 37 2.712 4.139 10.404 1.00 0.12 C ATOM 598 O GLY A 37 2.110 5.076 10.930 1.00 0.15 O ATOM 0 H GLY A 37 4.964 1.832 10.452 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.142 3.008 12.170 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.540 3.792 11.461 1.00 0.13 H new ATOM 602 N THR A 38 2.610 3.840 9.112 1.00 0.08 N ATOM 603 CA THR A 38 1.767 4.608 8.211 1.00 0.08 C ATOM 604 C THR A 38 0.570 3.777 7.745 1.00 0.07 C ATOM 605 O THR A 38 0.743 2.646 7.306 1.00 0.08 O ATOM 606 CB THR A 38 2.566 5.073 6.979 1.00 0.09 C ATOM 607 OG1 THR A 38 3.735 5.782 7.400 1.00 0.11 O ATOM 608 CG2 THR A 38 1.721 5.972 6.091 1.00 0.11 C ATOM 0 H THR A 38 3.105 3.067 8.667 1.00 0.08 H new ATOM 0 HA THR A 38 1.409 5.479 8.759 1.00 0.08 H new ATOM 0 HB THR A 38 2.855 4.192 6.406 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.473 6.644 7.787 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.308 6.287 5.228 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.841 5.425 5.751 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.407 6.850 6.656 1.00 0.11 H new ATOM 616 N PRO A 39 -0.664 4.316 7.850 1.00 0.07 N ATOM 617 CA PRO A 39 -1.885 3.612 7.420 1.00 0.08 C ATOM 618 C PRO A 39 -1.954 3.474 5.912 1.00 0.07 C ATOM 619 O PRO A 39 -1.045 3.913 5.215 1.00 0.07 O ATOM 620 CB PRO A 39 -3.007 4.531 7.900 1.00 0.09 C ATOM 621 CG PRO A 39 -2.375 5.873 7.895 1.00 0.09 C ATOM 622 CD PRO A 39 -0.980 5.645 8.396 1.00 0.09 C ATOM 0 HA PRO A 39 -1.935 2.599 7.819 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.871 4.491 7.237 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.356 4.254 8.895 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.370 6.303 6.894 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.917 6.567 8.537 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.289 6.407 8.036 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.932 5.659 9.485 1.00 0.09 H new ATOM 630 N TRP A 40 -3.024 2.869 5.402 1.00 0.07 N ATOM 631 CA TRP A 40 -3.170 2.716 3.962 1.00 0.07 C ATOM 632 C TRP A 40 -3.488 4.053 3.322 1.00 0.07 C ATOM 633 O TRP A 40 -2.829 4.453 2.374 1.00 0.07 O ATOM 634 CB TRP A 40 -4.251 1.691 3.596 1.00 0.08 C ATOM 635 CG TRP A 40 -5.655 2.135 3.890 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.303 2.090 5.092 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.588 2.686 2.953 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.584 2.573 4.955 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.780 2.952 3.653 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.528 2.983 1.590 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.903 3.499 3.030 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.638 3.525 0.976 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.810 3.780 1.693 1.00 0.21 C ATOM 0 H TRP A 40 -3.789 2.484 5.956 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.220 2.344 3.579 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.171 1.461 2.534 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -4.055 0.766 4.138 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.873 1.728 6.014 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.276 2.638 5.702 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.627 2.792 1.026 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.811 3.693 3.582 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.601 3.757 -0.078 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.660 4.208 1.182 1.00 0.21 H new ATOM 654 N ILE A 41 -4.475 4.757 3.869 1.00 0.08 N ATOM 655 CA ILE A 41 -4.877 6.049 3.331 1.00 0.09 C ATOM 656 C ILE A 41 -3.671 6.968 3.161 1.00 0.07 C ATOM 657 O ILE A 41 -3.690 7.888 2.343 1.00 0.08 O ATOM 658 CB ILE A 41 -5.920 6.742 4.231 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.688 7.796 3.429 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.250 7.376 5.445 1.00 0.12 C ATOM 661 CD1 ILE A 41 -7.926 7.251 2.748 1.00 0.45 C ATOM 0 H ILE A 41 -5.009 4.454 4.683 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.328 5.859 2.357 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.624 5.991 4.588 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.977 8.609 4.095 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.026 8.222 2.675 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -6.004 7.859 6.066 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.743 6.605 6.025 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.523 8.118 5.114 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.421 8.051 2.198 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.642 6.458 2.057 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.608 6.851 3.498 1.00 0.45 H new ATOM 673 N GLU A 42 -2.626 6.712 3.941 1.00 0.07 N ATOM 674 CA GLU A 42 -1.409 7.508 3.870 1.00 0.06 C ATOM 675 C GLU A 42 -0.376 6.785 3.016 1.00 0.06 C ATOM 676 O GLU A 42 0.384 7.408 2.275 1.00 0.07 O ATOM 677 CB GLU A 42 -0.859 7.776 5.269 1.00 0.07 C ATOM 678 CG GLU A 42 -1.702 8.746 6.079 1.00 0.09 C ATOM 679 CD GLU A 42 -1.842 10.099 5.409 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.926 10.935 5.561 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.867 10.322 4.731 1.00 2.15 O ATOM 0 H GLU A 42 -2.599 5.959 4.629 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.639 8.469 3.411 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.787 6.832 5.809 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.153 8.172 5.183 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.692 8.318 6.235 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.253 8.877 7.063 1.00 0.09 H new ATOM 688 N LEU A 43 -0.362 5.462 3.137 1.00 0.06 N ATOM 689 CA LEU A 43 0.540 4.620 2.361 1.00 0.07 C ATOM 690 C LEU A 43 0.296 4.874 0.887 1.00 0.08 C ATOM 691 O LEU A 43 1.194 5.251 0.138 1.00 0.10 O ATOM 692 CB LEU A 43 0.266 3.148 2.667 1.00 0.08 C ATOM 693 CG LEU A 43 1.451 2.338 3.200 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.611 2.372 2.222 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.887 2.856 4.557 1.00 0.09 C ATOM 0 H LEU A 43 -0.972 4.946 3.772 1.00 0.06 H new ATOM 0 HA LEU A 43 1.573 4.855 2.619 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.542 3.094 3.397 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.094 2.670 1.756 1.00 0.08 H new ATOM 0 HG LEU A 43 1.129 1.303 3.313 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.441 1.790 2.622 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.296 1.947 1.269 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.930 3.403 2.072 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.730 2.267 4.918 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.186 3.901 4.469 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.059 2.774 5.261 1.00 0.09 H new ATOM 707 N ILE A 44 -0.953 4.661 0.497 1.00 0.09 N ATOM 708 CA ILE A 44 -1.398 4.862 -0.864 1.00 0.10 C ATOM 709 C ILE A 44 -1.193 6.310 -1.302 1.00 0.10 C ATOM 710 O ILE A 44 -1.399 6.654 -2.466 1.00 0.15 O ATOM 711 CB ILE A 44 -2.882 4.485 -0.995 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.760 5.463 -0.208 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.091 3.064 -0.493 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.232 5.320 -0.490 1.00 0.20 C ATOM 0 H ILE A 44 -1.689 4.341 1.127 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.802 4.220 -1.512 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.170 4.542 -2.045 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.588 5.314 0.858 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.452 6.482 -0.442 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.144 2.796 -0.586 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.488 2.376 -1.086 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.791 3.000 0.553 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.788 6.045 0.104 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.419 5.498 -1.549 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.556 4.313 -0.229 1.00 0.20 H new ATOM 726 N TYR A 45 -0.791 7.153 -0.356 1.00 0.08 N ATOM 727 CA TYR A 45 -0.555 8.564 -0.638 1.00 0.08 C ATOM 728 C TYR A 45 0.938 8.888 -0.626 1.00 0.08 C ATOM 729 O TYR A 45 1.351 9.951 -1.092 1.00 0.10 O ATOM 730 CB TYR A 45 -1.292 9.438 0.380 1.00 0.10 C ATOM 731 CG TYR A 45 -2.714 9.800 -0.014 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.465 8.991 -0.866 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.307 10.955 0.478 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.761 9.329 -1.212 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.601 11.297 0.135 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.324 10.482 -0.709 1.00 0.16 C ATOM 737 OH TYR A 45 -6.612 10.820 -1.049 1.00 0.19 O ATOM 0 H TYR A 45 -0.622 6.883 0.613 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.940 8.777 -1.636 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.315 8.918 1.338 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.725 10.357 0.530 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.028 8.086 -1.262 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.747 11.598 1.141 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.329 8.692 -1.874 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.045 12.200 0.527 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.857 11.661 -0.609 1.00 0.19 H new ATOM 747 N LEU A 46 1.745 7.971 -0.091 1.00 0.08 N ATOM 748 CA LEU A 46 3.191 8.169 -0.037 1.00 0.09 C ATOM 749 C LEU A 46 3.779 8.245 -1.437 1.00 0.09 C ATOM 750 O LEU A 46 3.059 8.354 -2.430 1.00 0.11 O ATOM 751 CB LEU A 46 3.882 7.019 0.706 1.00 0.10 C ATOM 752 CG LEU A 46 3.435 6.759 2.146 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.310 5.678 2.768 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.503 8.028 2.982 1.00 0.12 C ATOM 0 H LEU A 46 1.423 7.089 0.308 1.00 0.08 H new ATOM 0 HA LEU A 46 3.362 9.106 0.494 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.730 6.104 0.133 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.954 7.215 0.714 1.00 0.10 H new ATOM 0 HG LEU A 46 2.398 6.424 2.127 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.989 5.495 3.794 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.218 4.758 2.190 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.350 6.006 2.766 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.179 7.811 4.000 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.528 8.398 2.998 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.850 8.785 2.548 1.00 0.12 H new ATOM 766 N ASP A 47 5.100 8.179 -1.498 1.00 0.09 N ATOM 767 CA ASP A 47 5.822 8.211 -2.756 1.00 0.10 C ATOM 768 C ASP A 47 7.170 7.540 -2.589 1.00 0.10 C ATOM 769 O ASP A 47 7.651 7.382 -1.470 1.00 0.16 O ATOM 770 CB ASP A 47 6.007 9.644 -3.252 1.00 0.11 C ATOM 771 CG ASP A 47 5.960 10.659 -2.127 1.00 0.73 C ATOM 772 OD1 ASP A 47 7.001 10.862 -1.466 1.00 0.96 O ATOM 773 OD2 ASP A 47 4.884 11.252 -1.908 1.00 1.31 O ATOM 0 H ASP A 47 5.699 8.102 -0.676 1.00 0.09 H new ATOM 0 HA ASP A 47 5.237 7.671 -3.500 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.962 9.725 -3.770 1.00 0.11 H new ATOM 0 HB3 ASP A 47 5.229 9.876 -3.979 1.00 0.11 H new ATOM 778 N ASP A 48 7.796 7.194 -3.702 1.00 0.12 N ATOM 779 CA ASP A 48 9.073 6.523 -3.676 1.00 0.14 C ATOM 780 C ASP A 48 10.005 7.186 -2.671 1.00 0.14 C ATOM 781 O ASP A 48 10.615 6.518 -1.838 1.00 0.21 O ATOM 782 CB ASP A 48 9.685 6.569 -5.069 1.00 0.17 C ATOM 783 CG ASP A 48 9.667 7.961 -5.668 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.603 8.378 -6.172 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.717 8.637 -5.633 1.00 1.65 O ATOM 0 H ASP A 48 7.432 7.371 -4.638 1.00 0.12 H new ATOM 0 HA ASP A 48 8.929 5.486 -3.372 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.713 6.211 -5.022 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.140 5.889 -5.724 1.00 0.17 H new ATOM 790 N GLU A 49 10.083 8.506 -2.740 1.00 0.14 N ATOM 791 CA GLU A 49 10.931 9.274 -1.833 1.00 0.16 C ATOM 792 C GLU A 49 10.596 8.985 -0.367 1.00 0.13 C ATOM 793 O GLU A 49 11.492 8.719 0.433 1.00 0.19 O ATOM 794 CB GLU A 49 10.796 10.770 -2.110 1.00 0.23 C ATOM 795 CG GLU A 49 11.790 11.619 -1.333 1.00 0.37 C ATOM 796 CD GLU A 49 11.638 13.100 -1.616 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.762 13.737 -0.995 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.394 13.623 -2.463 1.00 0.51 O ATOM 0 H GLU A 49 9.569 9.072 -3.416 1.00 0.14 H new ATOM 0 HA GLU A 49 11.961 8.967 -2.013 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.932 10.948 -3.177 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.784 11.089 -1.860 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.658 11.441 -0.266 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.804 11.307 -1.585 1.00 0.37 H new ATOM 805 N THR A 50 9.309 9.039 -0.015 1.00 0.11 N ATOM 806 CA THR A 50 8.890 8.783 1.361 1.00 0.10 C ATOM 807 C THR A 50 9.268 7.373 1.790 1.00 0.09 C ATOM 808 O THR A 50 9.889 7.179 2.830 1.00 0.13 O ATOM 809 CB THR A 50 7.375 8.973 1.548 1.00 0.12 C ATOM 810 OG1 THR A 50 7.006 10.326 1.251 1.00 0.19 O ATOM 811 CG2 THR A 50 6.965 8.630 2.973 1.00 0.14 C ATOM 0 H THR A 50 8.547 9.256 -0.658 1.00 0.11 H new ATOM 0 HA THR A 50 9.411 9.510 1.984 1.00 0.10 H new ATOM 0 HB THR A 50 6.858 8.302 0.862 1.00 0.12 H new ATOM 0 HG1 THR A 50 7.021 10.464 0.281 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.890 8.770 3.086 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.220 7.592 3.185 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.491 9.282 3.670 1.00 0.14 H new ATOM 819 N LEU A 51 8.880 6.395 0.980 1.00 0.09 N ATOM 820 CA LEU A 51 9.185 5.004 1.248 1.00 0.11 C ATOM 821 C LEU A 51 10.663 4.834 1.562 1.00 0.11 C ATOM 822 O LEU A 51 11.033 4.064 2.445 1.00 0.14 O ATOM 823 CB LEU A 51 8.803 4.182 0.027 1.00 0.12 C ATOM 824 CG LEU A 51 7.315 3.868 -0.082 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.505 5.115 -0.376 1.00 0.89 C ATOM 826 CD2 LEU A 51 7.075 2.816 -1.147 1.00 0.74 C ATOM 0 H LEU A 51 8.347 6.548 0.124 1.00 0.09 H new ATOM 0 HA LEU A 51 8.619 4.663 2.115 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.115 4.719 -0.869 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.359 3.245 0.047 1.00 0.12 H new ATOM 0 HG LEU A 51 6.985 3.477 0.880 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.449 4.855 -0.447 1.00 0.89 H new ATOM 0 HD12 LEU A 51 6.647 5.839 0.427 1.00 0.89 H new ATOM 0 HD13 LEU A 51 6.836 5.550 -1.319 1.00 0.89 H new ATOM 0 HD21 LEU A 51 6.008 2.602 -1.213 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.432 3.184 -2.109 1.00 0.74 H new ATOM 0 HD23 LEU A 51 7.612 1.904 -0.885 1.00 0.74 H new ATOM 838 N GLU A 52 11.503 5.558 0.835 1.00 0.10 N ATOM 839 CA GLU A 52 12.938 5.508 1.063 1.00 0.13 C ATOM 840 C GLU A 52 13.230 5.997 2.468 1.00 0.13 C ATOM 841 O GLU A 52 14.045 5.428 3.192 1.00 0.16 O ATOM 842 CB GLU A 52 13.666 6.391 0.052 1.00 0.16 C ATOM 843 CG GLU A 52 15.128 6.023 -0.137 1.00 0.33 C ATOM 844 CD GLU A 52 15.826 6.899 -1.158 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.072 8.086 -0.852 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.131 6.400 -2.261 1.00 0.52 O ATOM 0 H GLU A 52 11.215 6.185 0.084 1.00 0.10 H new ATOM 0 HA GLU A 52 13.287 4.482 0.945 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.156 6.324 -0.909 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.601 7.430 0.376 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.645 6.104 0.819 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.198 4.981 -0.450 1.00 0.33 H new ATOM 853 N LYS A 53 12.542 7.069 2.835 1.00 0.13 N ATOM 854 CA LYS A 53 12.690 7.665 4.159 1.00 0.16 C ATOM 855 C LYS A 53 12.318 6.668 5.255 1.00 0.18 C ATOM 856 O LYS A 53 12.923 6.658 6.327 1.00 0.25 O ATOM 857 CB LYS A 53 11.824 8.918 4.278 1.00 0.17 C ATOM 858 CG LYS A 53 12.216 10.055 3.352 1.00 0.42 C ATOM 859 CD LYS A 53 13.659 10.480 3.536 1.00 0.60 C ATOM 860 CE LYS A 53 14.544 9.674 2.616 1.00 1.54 C ATOM 861 NZ LYS A 53 14.718 10.329 1.291 1.00 2.19 N ATOM 0 H LYS A 53 11.872 7.547 2.232 1.00 0.13 H new ATOM 0 HA LYS A 53 13.737 7.941 4.287 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.788 8.646 4.078 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.867 9.275 5.307 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.060 9.748 2.318 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.563 10.909 3.533 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.766 11.543 3.321 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.963 10.332 4.572 1.00 0.60 H new ATOM 0 HE2 LYS A 53 15.519 9.535 3.082 1.00 1.54 H new ATOM 0 HE3 LYS A 53 14.113 8.683 2.476 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 15.141 9.653 0.623 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 13.792 10.638 0.932 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.343 11.154 1.391 1.00 2.19 H new ATOM 875 N LYS A 54 11.315 5.832 4.980 1.00 0.13 N ATOM 876 CA LYS A 54 10.867 4.831 5.940 1.00 0.16 C ATOM 877 C LYS A 54 11.909 3.733 6.058 1.00 0.17 C ATOM 878 O LYS A 54 12.391 3.416 7.146 1.00 0.21 O ATOM 879 CB LYS A 54 9.537 4.223 5.491 1.00 0.16 C ATOM 880 CG LYS A 54 8.616 5.219 4.809 1.00 0.25 C ATOM 881 CD LYS A 54 8.149 6.282 5.783 1.00 0.39 C ATOM 882 CE LYS A 54 6.649 6.212 5.988 1.00 0.30 C ATOM 883 NZ LYS A 54 6.237 6.848 7.270 1.00 1.20 N ATOM 0 H LYS A 54 10.800 5.831 4.100 1.00 0.13 H new ATOM 0 HA LYS A 54 10.729 5.312 6.909 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.736 3.397 4.808 1.00 0.16 H new ATOM 0 HB3 LYS A 54 9.027 3.803 6.358 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.137 5.689 3.975 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.754 4.697 4.394 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.656 6.152 6.739 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.422 7.268 5.408 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.145 6.707 5.158 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.329 5.170 5.980 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.269 6.552 7.509 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.886 6.554 8.028 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.267 7.883 7.170 1.00 1.20 H new ATOM 897 N GLY A 55 12.243 3.161 4.911 1.00 0.19 N ATOM 898 CA GLY A 55 13.224 2.101 4.851 1.00 0.23 C ATOM 899 C GLY A 55 13.246 1.437 3.489 1.00 0.25 C ATOM 900 O GLY A 55 14.188 0.722 3.151 1.00 0.38 O ATOM 0 H GLY A 55 11.844 3.418 4.008 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.211 2.505 5.075 1.00 0.23 H new ATOM 0 HA3 GLY A 55 13.003 1.356 5.616 1.00 0.23 H new ATOM 904 N VAL A 56 12.193 1.676 2.715 1.00 0.17 N ATOM 905 CA VAL A 56 12.078 1.129 1.372 1.00 0.21 C ATOM 906 C VAL A 56 13.080 1.823 0.455 1.00 0.40 C ATOM 907 O VAL A 56 12.731 2.735 -0.292 1.00 0.89 O ATOM 908 CB VAL A 56 10.651 1.323 0.820 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.391 0.418 -0.373 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.611 1.087 1.910 1.00 0.17 C ATOM 0 H VAL A 56 11.400 2.251 3.000 1.00 0.17 H new ATOM 0 HA VAL A 56 12.289 0.060 1.412 1.00 0.21 H new ATOM 0 HB VAL A 56 10.566 2.355 0.481 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.377 0.579 -0.738 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.103 0.648 -1.166 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.507 -0.623 -0.072 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.612 1.230 1.497 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.705 0.069 2.289 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.771 1.793 2.725 1.00 0.17 H new ATOM 920 N LEU A 57 14.326 1.372 0.523 1.00 0.21 N ATOM 921 CA LEU A 57 15.412 1.961 -0.255 1.00 0.26 C ATOM 922 C LEU A 57 15.441 1.445 -1.690 1.00 0.36 C ATOM 923 O LEU A 57 15.839 2.164 -2.605 1.00 0.83 O ATOM 924 CB LEU A 57 16.745 1.660 0.439 1.00 0.34 C ATOM 925 CG LEU A 57 17.159 2.635 1.554 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.946 3.294 2.196 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.976 1.908 2.610 1.00 0.55 C ATOM 0 H LEU A 57 14.613 0.592 1.115 1.00 0.21 H new ATOM 0 HA LEU A 57 15.246 3.037 -0.306 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.694 0.657 0.861 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.531 1.648 -0.316 1.00 0.34 H new ATOM 0 HG LEU A 57 17.768 3.418 1.103 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.275 3.977 2.980 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.391 3.850 1.440 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.302 2.528 2.629 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.263 2.609 3.394 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.380 1.105 3.042 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.872 1.489 2.152 1.00 0.55 H new ATOM 939 N ALA A 58 15.021 0.202 -1.880 1.00 0.21 N ATOM 940 CA ALA A 58 15.009 -0.406 -3.203 1.00 0.17 C ATOM 941 C ALA A 58 14.226 0.424 -4.196 1.00 0.13 C ATOM 942 O ALA A 58 13.005 0.528 -4.103 1.00 0.12 O ATOM 943 CB ALA A 58 14.415 -1.796 -3.139 1.00 0.18 C ATOM 0 H ALA A 58 14.684 -0.406 -1.134 1.00 0.21 H new ATOM 0 HA ALA A 58 16.044 -0.461 -3.541 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.413 -2.237 -4.136 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.011 -2.416 -2.469 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.392 -1.738 -2.766 1.00 0.18 H new ATOM 949 N LEU A 59 14.936 1.022 -5.145 1.00 0.14 N ATOM 950 CA LEU A 59 14.289 1.802 -6.178 1.00 0.13 C ATOM 951 C LEU A 59 13.223 0.945 -6.831 1.00 0.12 C ATOM 952 O LEU A 59 12.219 1.443 -7.331 1.00 0.14 O ATOM 953 CB LEU A 59 15.309 2.264 -7.223 1.00 0.15 C ATOM 954 CG LEU A 59 15.823 3.691 -7.041 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.671 4.670 -7.151 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.528 3.842 -5.703 1.00 0.27 C ATOM 0 H LEU A 59 15.953 0.979 -5.216 1.00 0.14 H new ATOM 0 HA LEU A 59 13.836 2.690 -5.737 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.160 1.583 -7.203 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.857 2.181 -8.211 1.00 0.15 H new ATOM 0 HG LEU A 59 16.546 3.907 -7.828 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.043 5.686 -7.020 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.207 4.577 -8.133 1.00 0.24 H new ATOM 0 HD13 LEU A 59 13.933 4.452 -6.379 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.886 4.866 -5.594 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.831 3.614 -4.897 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.373 3.155 -5.657 1.00 0.27 H new ATOM 968 N GLY A 60 13.471 -0.359 -6.821 1.00 0.12 N ATOM 969 CA GLY A 60 12.538 -1.301 -7.389 1.00 0.12 C ATOM 970 C GLY A 60 11.330 -1.539 -6.503 1.00 0.11 C ATOM 971 O GLY A 60 10.208 -1.610 -6.989 1.00 0.14 O ATOM 0 H GLY A 60 14.311 -0.780 -6.424 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.204 -0.934 -8.360 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.047 -2.249 -7.564 1.00 0.12 H new ATOM 975 N ALA A 61 11.563 -1.657 -5.198 1.00 0.10 N ATOM 976 CA ALA A 61 10.489 -1.919 -4.239 1.00 0.10 C ATOM 977 C ALA A 61 9.589 -0.708 -3.996 1.00 0.11 C ATOM 978 O ALA A 61 8.364 -0.823 -4.048 1.00 0.16 O ATOM 979 CB ALA A 61 11.073 -2.404 -2.923 1.00 0.13 C ATOM 0 H ALA A 61 12.489 -1.575 -4.778 1.00 0.10 H new ATOM 0 HA ALA A 61 9.860 -2.694 -4.678 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.266 -2.596 -2.216 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.635 -3.323 -3.091 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.737 -1.641 -2.517 1.00 0.13 H new ATOM 985 N ARG A 62 10.190 0.451 -3.729 1.00 0.14 N ATOM 986 CA ARG A 62 9.415 1.653 -3.443 1.00 0.16 C ATOM 987 C ARG A 62 8.675 2.174 -4.663 1.00 0.11 C ATOM 988 O ARG A 62 7.449 2.294 -4.645 1.00 0.11 O ATOM 989 CB ARG A 62 10.311 2.744 -2.842 1.00 0.23 C ATOM 990 CG ARG A 62 11.387 3.288 -3.773 1.00 0.32 C ATOM 991 CD ARG A 62 12.370 4.167 -3.010 1.00 0.23 C ATOM 992 NE ARG A 62 13.402 4.739 -3.877 1.00 0.21 N ATOM 993 CZ ARG A 62 13.743 6.027 -3.867 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.117 6.876 -3.064 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.713 6.469 -4.655 1.00 0.48 N ATOM 0 H ARG A 62 11.201 0.581 -3.705 1.00 0.14 H new ATOM 0 HA ARG A 62 8.657 1.376 -2.710 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.680 3.572 -2.519 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.794 2.344 -1.950 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.920 2.461 -4.242 1.00 0.32 H new ATOM 0 HG3 ARG A 62 10.924 3.864 -4.574 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.825 4.973 -2.519 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.845 3.578 -2.225 1.00 0.23 H new ATOM 0 HE ARG A 62 13.887 4.117 -4.524 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.372 6.544 -2.452 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.380 7.861 -3.059 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.203 5.822 -5.273 1.00 0.48 H new ATOM 0 HH22 ARG A 62 14.970 7.456 -4.643 1.00 0.48 H new ATOM 1009 N ARG A 63 9.413 2.495 -5.712 1.00 0.12 N ATOM 1010 CA ARG A 63 8.805 2.999 -6.935 1.00 0.13 C ATOM 1011 C ARG A 63 7.672 2.080 -7.383 1.00 0.12 C ATOM 1012 O ARG A 63 6.758 2.504 -8.091 1.00 0.14 O ATOM 1013 CB ARG A 63 9.842 3.120 -8.049 1.00 0.16 C ATOM 1014 CG ARG A 63 10.817 4.270 -7.854 1.00 0.79 C ATOM 1015 CD ARG A 63 11.715 4.448 -9.067 1.00 0.75 C ATOM 1016 NE ARG A 63 10.950 4.773 -10.268 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.074 4.125 -11.421 1.00 1.56 C ATOM 1018 NH1 ARG A 63 11.924 3.112 -11.530 1.00 1.33 N ATOM 1019 NH2 ARG A 63 10.344 4.486 -12.468 1.00 2.47 N ATOM 0 H ARG A 63 10.430 2.417 -5.743 1.00 0.12 H new ATOM 0 HA ARG A 63 8.401 3.990 -6.726 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.402 2.187 -8.115 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.327 3.250 -9.001 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.264 5.191 -7.671 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.428 4.085 -6.971 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.437 5.241 -8.871 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.284 3.533 -9.235 1.00 0.75 H new ATOM 0 HE ARG A 63 10.282 5.542 -10.219 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.485 2.828 -10.727 1.00 1.33 H new ATOM 0 HH12 ARG A 63 12.016 2.617 -12.417 1.00 1.33 H new ATOM 0 HH21 ARG A 63 9.687 5.262 -12.388 1.00 2.47 H new ATOM 0 HH22 ARG A 63 10.440 3.988 -13.353 1.00 2.47 H new ATOM 1033 N LYS A 64 7.745 0.818 -6.964 1.00 0.10 N ATOM 1034 CA LYS A 64 6.725 -0.163 -7.311 1.00 0.13 C ATOM 1035 C LYS A 64 5.477 0.017 -6.466 1.00 0.11 C ATOM 1036 O LYS A 64 4.361 -0.066 -6.973 1.00 0.12 O ATOM 1037 CB LYS A 64 7.270 -1.572 -7.121 1.00 0.18 C ATOM 1038 CG LYS A 64 7.810 -2.187 -8.405 1.00 0.76 C ATOM 1039 CD LYS A 64 8.315 -3.603 -8.180 1.00 1.33 C ATOM 1040 CE LYS A 64 8.933 -4.180 -9.443 1.00 1.80 C ATOM 1041 NZ LYS A 64 10.037 -3.326 -9.962 1.00 2.52 N ATOM 0 H LYS A 64 8.501 0.453 -6.384 1.00 0.10 H new ATOM 0 HA LYS A 64 6.457 -0.011 -8.357 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.064 -1.549 -6.375 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.479 -2.210 -6.725 1.00 0.18 H new ATOM 0 HG2 LYS A 64 7.026 -2.196 -9.162 1.00 0.76 H new ATOM 0 HG3 LYS A 64 8.620 -1.569 -8.792 1.00 0.76 H new ATOM 0 HD2 LYS A 64 9.054 -3.604 -7.379 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.491 -4.237 -7.854 1.00 1.33 H new ATOM 0 HE2 LYS A 64 9.314 -5.180 -9.236 1.00 1.80 H new ATOM 0 HE3 LYS A 64 8.164 -4.284 -10.208 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 10.624 -3.879 -10.619 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 9.636 -2.506 -10.461 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 10.623 -2.996 -9.169 1.00 2.52 H new ATOM 1055 N LEU A 65 5.668 0.245 -5.171 1.00 0.11 N ATOM 1056 CA LEU A 65 4.546 0.443 -4.269 1.00 0.11 C ATOM 1057 C LEU A 65 3.673 1.590 -4.748 1.00 0.08 C ATOM 1058 O LEU A 65 2.477 1.634 -4.463 1.00 0.09 O ATOM 1059 CB LEU A 65 5.039 0.712 -2.855 1.00 0.13 C ATOM 1060 CG LEU A 65 5.119 -0.529 -1.973 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.390 -0.509 -1.152 1.00 0.22 C ATOM 1062 CD2 LEU A 65 3.900 -0.619 -1.075 1.00 0.23 C ATOM 0 H LEU A 65 6.585 0.297 -4.727 1.00 0.11 H new ATOM 0 HA LEU A 65 3.949 -0.469 -4.261 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.027 1.170 -2.908 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.376 1.437 -2.383 1.00 0.13 H new ATOM 0 HG LEU A 65 5.138 -1.412 -2.612 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.434 -1.401 -0.527 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.253 -0.490 -1.818 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.400 0.378 -0.519 1.00 0.22 H new ATOM 0 HD21 LEU A 65 3.972 -1.510 -0.452 1.00 0.23 H new ATOM 0 HD22 LEU A 65 3.850 0.265 -0.440 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.000 -0.677 -1.688 1.00 0.23 H new ATOM 1074 N LEU A 66 4.283 2.514 -5.484 1.00 0.08 N ATOM 1075 CA LEU A 66 3.560 3.657 -6.020 1.00 0.09 C ATOM 1076 C LEU A 66 2.409 3.189 -6.898 1.00 0.11 C ATOM 1077 O LEU A 66 1.430 3.910 -7.092 1.00 0.14 O ATOM 1078 CB LEU A 66 4.505 4.565 -6.805 1.00 0.11 C ATOM 1079 CG LEU A 66 5.233 5.603 -5.952 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.637 5.842 -6.477 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.443 6.902 -5.913 1.00 0.14 C ATOM 0 H LEU A 66 5.275 2.492 -5.721 1.00 0.08 H new ATOM 0 HA LEU A 66 3.147 4.230 -5.190 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.245 3.947 -7.314 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.935 5.082 -7.577 1.00 0.11 H new ATOM 0 HG LEU A 66 5.315 5.218 -4.935 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.137 6.584 -5.855 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.199 4.909 -6.450 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.585 6.205 -7.503 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.973 7.632 -5.302 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.330 7.290 -6.925 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.458 6.716 -5.484 1.00 0.14 H new ATOM 1093 N LYS A 67 2.533 1.975 -7.428 1.00 0.12 N ATOM 1094 CA LYS A 67 1.484 1.404 -8.256 1.00 0.16 C ATOM 1095 C LYS A 67 0.369 0.904 -7.361 1.00 0.14 C ATOM 1096 O LYS A 67 -0.814 1.071 -7.657 1.00 0.16 O ATOM 1097 CB LYS A 67 2.007 0.256 -9.100 1.00 0.22 C ATOM 1098 CG LYS A 67 1.062 -0.117 -10.227 1.00 0.84 C ATOM 1099 CD LYS A 67 1.689 -1.145 -11.131 1.00 1.26 C ATOM 1100 CE LYS A 67 1.586 -2.540 -10.537 1.00 1.56 C ATOM 1101 NZ LYS A 67 0.287 -3.189 -10.863 1.00 2.20 N ATOM 0 H LYS A 67 3.346 1.373 -7.298 1.00 0.12 H new ATOM 0 HA LYS A 67 1.116 2.177 -8.930 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.976 0.529 -9.518 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.169 -0.614 -8.463 1.00 0.22 H new ATOM 0 HG2 LYS A 67 0.132 -0.508 -9.814 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.806 0.772 -10.803 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.198 -1.125 -12.104 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.737 -0.895 -11.298 1.00 1.26 H new ATOM 0 HE2 LYS A 67 2.403 -3.155 -10.913 1.00 1.56 H new ATOM 0 HE3 LYS A 67 1.701 -2.483 -9.455 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 0.410 -4.222 -10.881 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -0.418 -2.936 -10.141 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 -0.040 -2.863 -11.795 1.00 2.20 H new ATOM 1115 N ALA A 68 0.773 0.293 -6.253 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.168 -0.237 -5.284 1.00 0.14 C ATOM 1117 C ALA A 68 -0.885 0.904 -4.579 1.00 0.13 C ATOM 1118 O ALA A 68 -1.975 0.732 -4.047 1.00 0.23 O ATOM 1119 CB ALA A 68 0.550 -1.127 -4.276 1.00 0.17 C ATOM 0 H ALA A 68 1.753 0.154 -6.006 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.908 -0.844 -5.806 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.170 -1.516 -3.556 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.026 -1.957 -4.798 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.308 -0.545 -3.752 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.259 2.073 -4.592 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.815 3.254 -3.953 1.00 0.11 C ATOM 1127 C PHE A 69 -2.021 3.797 -4.719 1.00 0.10 C ATOM 1128 O PHE A 69 -3.034 4.156 -4.122 1.00 0.12 O ATOM 1129 CB PHE A 69 0.259 4.342 -3.857 1.00 0.11 C ATOM 1130 CG PHE A 69 1.362 4.062 -2.867 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.287 2.998 -1.977 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.477 4.882 -2.825 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.301 2.763 -1.069 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.493 4.649 -1.921 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.406 3.589 -1.040 1.00 0.12 C ATOM 0 H PHE A 69 0.643 2.227 -5.043 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.149 2.967 -2.956 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.703 4.482 -4.843 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.221 5.283 -3.587 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.426 2.347 -1.995 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.552 5.715 -3.509 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.229 1.933 -0.382 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.357 5.296 -1.902 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.200 3.407 -0.331 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.908 3.852 -6.043 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.989 4.381 -6.858 1.00 0.13 C ATOM 1147 C GLY A 70 -4.176 3.447 -6.983 1.00 0.13 C ATOM 1148 O GLY A 70 -5.321 3.869 -6.821 1.00 0.13 O ATOM 0 H GLY A 70 -1.089 3.541 -6.566 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.325 5.325 -6.430 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.606 4.601 -7.854 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.908 2.181 -7.275 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.969 1.193 -7.431 1.00 0.15 C ATOM 1154 C ILE A 71 -5.874 1.168 -6.205 1.00 0.13 C ATOM 1155 O ILE A 71 -7.082 0.959 -6.316 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.385 -0.215 -7.658 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.385 -0.191 -8.815 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.499 -1.213 -7.934 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.350 -1.292 -8.743 1.00 0.25 C ATOM 0 H ILE A 71 -2.966 1.814 -7.409 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.555 1.481 -8.304 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.862 -0.527 -6.754 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.929 -0.276 -9.756 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.877 0.774 -8.826 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.070 -2.203 -8.092 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.179 -1.244 -7.083 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.048 -0.909 -8.825 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.675 -1.213 -9.595 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.780 -1.196 -7.819 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.848 -2.261 -8.763 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.282 1.384 -5.037 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.036 1.390 -3.788 1.00 0.11 C ATOM 1173 C VAL A 72 -6.919 2.623 -3.702 1.00 0.12 C ATOM 1174 O VAL A 72 -8.099 2.539 -3.366 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.105 1.368 -2.561 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.908 1.457 -1.268 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.235 0.126 -2.570 1.00 0.12 C ATOM 0 H VAL A 72 -4.283 1.557 -4.928 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.649 0.489 -3.785 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.454 2.240 -2.614 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.229 1.440 -0.416 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.479 2.385 -1.258 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.591 0.610 -1.205 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.585 0.131 -1.695 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.867 -0.761 -2.548 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.626 0.115 -3.474 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.325 3.768 -4.013 1.00 0.13 N ATOM 1188 CA ILE A 73 -7.026 5.041 -3.966 1.00 0.16 C ATOM 1189 C ILE A 73 -8.309 5.005 -4.784 1.00 0.19 C ATOM 1190 O ILE A 73 -9.380 5.309 -4.277 1.00 0.28 O ATOM 1191 CB ILE A 73 -6.126 6.178 -4.494 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -5.033 6.516 -3.482 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.955 7.412 -4.818 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.932 7.390 -4.042 1.00 0.16 C ATOM 0 H ILE A 73 -5.350 3.839 -4.303 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.280 5.227 -2.923 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.648 5.835 -5.412 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.485 7.020 -2.628 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.595 5.589 -3.111 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -6.302 8.202 -5.189 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.694 7.164 -5.580 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.464 7.755 -3.917 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.193 7.587 -3.265 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.453 6.880 -4.878 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.356 8.333 -4.387 1.00 0.16 H new ATOM 1206 N ASP A 74 -8.188 4.645 -6.049 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.338 4.582 -6.946 1.00 0.21 C ATOM 1208 C ASP A 74 -10.484 3.773 -6.338 1.00 0.19 C ATOM 1209 O ASP A 74 -11.615 4.251 -6.287 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.919 3.970 -8.285 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.965 4.161 -9.365 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.142 5.310 -9.819 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.607 3.164 -9.754 1.00 0.55 O ATOM 0 H ASP A 74 -7.302 4.390 -6.484 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.696 5.599 -7.104 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.981 4.421 -8.609 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.731 2.905 -8.151 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.203 2.549 -5.884 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.246 1.719 -5.283 1.00 0.25 C ATOM 1220 C TYR A 75 -11.820 2.405 -4.055 1.00 0.27 C ATOM 1221 O TYR A 75 -13.012 2.301 -3.775 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.715 0.322 -4.944 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.920 -0.694 -6.057 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.227 -0.286 -7.350 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.814 -2.058 -5.813 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.416 -1.202 -8.365 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -11.000 -2.983 -6.825 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.302 -2.550 -8.098 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.489 -3.466 -9.107 1.00 1.24 O ATOM 0 H TYR A 75 -9.279 2.118 -5.920 1.00 0.20 H new ATOM 0 HA TYR A 75 -12.048 1.592 -6.010 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.651 0.392 -4.719 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.209 -0.036 -4.041 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.319 0.768 -7.565 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.582 -2.402 -4.816 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.652 -0.865 -9.363 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.909 -4.039 -6.618 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.372 -4.372 -8.752 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.967 3.107 -3.322 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.404 3.856 -2.159 1.00 0.30 C ATOM 1241 C LYS A 76 -12.393 4.914 -2.614 1.00 0.37 C ATOM 1242 O LYS A 76 -13.487 5.076 -2.075 1.00 0.51 O ATOM 1243 CB LYS A 76 -10.208 4.569 -1.515 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.582 5.923 -0.925 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.406 6.642 -0.293 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.214 6.720 -1.224 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.499 8.017 -1.104 1.00 1.66 N ATOM 0 H LYS A 76 -9.968 3.172 -3.515 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.857 3.174 -1.439 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.792 3.937 -0.730 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.426 4.706 -2.262 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.005 6.550 -1.710 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -11.360 5.783 -0.175 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.709 7.650 -0.009 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.116 6.126 0.622 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.526 5.905 -1.001 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -8.548 6.584 -2.253 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -7.636 8.571 -1.974 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.876 8.548 -0.293 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -6.484 7.842 -0.961 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.945 5.620 -3.632 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.657 6.716 -4.239 1.00 0.36 C ATOM 1263 C GLU A 77 -13.871 6.242 -5.036 1.00 0.34 C ATOM 1264 O GLU A 77 -14.749 7.038 -5.372 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.651 7.453 -5.118 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.524 8.093 -4.309 1.00 0.49 C ATOM 1267 CD GLU A 77 -9.647 8.999 -5.149 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -9.302 8.606 -6.283 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -9.305 10.101 -4.672 1.00 1.09 O ATOM 0 H GLU A 77 -11.043 5.437 -4.072 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.062 7.380 -3.475 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.225 6.756 -5.840 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.168 8.225 -5.688 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.952 8.667 -3.487 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.910 7.309 -3.864 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.918 4.947 -5.333 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.039 4.372 -6.070 1.00 0.33 C ATOM 1278 C ARG A 78 -16.033 3.729 -5.114 1.00 0.36 C ATOM 1279 O ARG A 78 -16.923 2.990 -5.536 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.546 3.322 -7.062 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.982 3.899 -8.343 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.604 2.793 -9.313 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.142 3.326 -10.587 1.00 1.15 N ATOM 1284 CZ ARG A 78 -13.094 2.618 -11.713 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.476 1.348 -11.720 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.663 3.182 -12.833 1.00 2.37 N ATOM 0 H ARG A 78 -13.194 4.276 -5.075 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.532 5.178 -6.614 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.779 2.715 -6.581 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.372 2.655 -7.309 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.717 4.558 -8.805 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.106 4.507 -8.118 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.822 2.175 -8.872 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.465 2.146 -9.480 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.837 4.299 -10.618 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.808 0.911 -10.860 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.438 0.809 -12.585 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.368 4.158 -12.832 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.626 2.639 -13.696 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.870 4.010 -3.825 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.743 3.447 -2.802 1.00 0.43 C ATOM 1302 C ASP A 79 -16.624 1.926 -2.784 1.00 0.40 C ATOM 1303 O ASP A 79 -17.495 1.227 -2.267 1.00 0.47 O ATOM 1304 CB ASP A 79 -18.197 3.864 -3.044 1.00 0.54 C ATOM 1305 CG ASP A 79 -19.098 3.543 -1.867 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -19.078 4.305 -0.878 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.824 2.529 -1.934 1.00 2.00 O ATOM 0 H ASP A 79 -15.141 4.625 -3.464 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.431 3.834 -1.832 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.236 4.935 -3.245 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.573 3.359 -3.934 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.532 1.419 -3.354 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.292 -0.017 -3.403 1.00 0.32 C ATOM 1314 C LEU A 80 -14.670 -0.496 -2.095 1.00 0.31 C ATOM 1315 O LEU A 80 -14.943 -1.604 -1.633 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.398 -0.381 -4.590 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.144 -0.969 -5.787 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.556 0.131 -6.747 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.282 -1.989 -6.497 1.00 0.39 C ATOM 0 H LEU A 80 -14.801 1.984 -3.787 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.250 -0.519 -3.536 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.864 0.512 -4.914 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.648 -1.098 -4.257 1.00 0.29 H new ATOM 0 HG LEU A 80 -16.043 -1.467 -5.423 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.086 -0.305 -7.594 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.210 0.836 -6.234 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.669 0.653 -7.104 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.828 -2.398 -7.347 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.368 -1.511 -6.849 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -14.028 -2.794 -5.807 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.831 0.352 -1.505 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.182 0.037 -0.237 1.00 0.14 C ATOM 1333 C ILE A 81 -14.098 0.398 0.922 1.00 0.13 C ATOM 1334 O ILE A 81 -14.686 1.479 0.946 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.852 0.801 -0.077 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.864 0.377 -1.164 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.258 0.556 1.309 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.523 1.076 -1.080 1.00 0.17 C ATOM 0 H ILE A 81 -13.585 1.265 -1.887 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.974 -1.033 -0.233 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.049 1.868 -0.183 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.706 -0.700 -1.098 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.306 0.575 -2.140 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.320 1.103 1.405 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.958 0.900 2.071 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.072 -0.510 1.442 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.877 0.722 -1.884 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.667 2.152 -1.177 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.058 0.857 -0.119 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.218 -0.512 1.880 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.062 -0.282 3.041 1.00 0.13 C ATOM 1352 C ASP A 82 -14.617 0.970 3.779 1.00 0.13 C ATOM 1353 O ASP A 82 -13.432 1.148 4.059 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.003 -1.477 3.988 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.275 -1.639 4.797 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.448 -0.897 5.786 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.098 -2.508 4.441 1.00 0.47 O ATOM 0 H ASP A 82 -13.742 -1.414 1.875 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.087 -0.150 2.695 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.824 -2.385 3.412 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.158 -1.358 4.666 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.572 1.838 4.088 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.276 3.068 4.806 1.00 0.16 C ATOM 1364 C ARG A 83 -14.654 2.754 6.162 1.00 0.18 C ATOM 1365 O ARG A 83 -14.121 3.637 6.831 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.546 3.904 4.981 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.127 4.407 3.667 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.214 5.433 3.012 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.606 5.719 1.633 1.00 0.52 N ATOM 1370 CZ ARG A 83 -17.378 6.743 1.282 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.850 7.570 2.205 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.678 6.940 0.006 1.00 1.48 N ATOM 0 H ARG A 83 -16.556 1.712 3.852 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.560 3.646 4.222 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.297 3.306 5.496 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.324 4.758 5.622 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.278 3.567 2.989 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -18.106 4.851 3.847 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -16.232 6.356 3.592 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -15.188 5.066 3.028 1.00 0.63 H new ATOM 0 HE ARG A 83 -16.268 5.098 0.898 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.621 7.422 3.188 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.442 8.355 1.932 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -17.317 6.306 -0.707 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -18.270 7.726 -0.263 1.00 1.48 H new ATOM 1386 N SER A 84 -14.738 1.488 6.564 1.00 0.17 N ATOM 1387 CA SER A 84 -14.170 1.054 7.832 1.00 0.20 C ATOM 1388 C SER A 84 -12.651 1.169 7.800 1.00 0.19 C ATOM 1389 O SER A 84 -12.021 1.481 8.810 1.00 0.23 O ATOM 1390 CB SER A 84 -14.579 -0.388 8.137 1.00 0.22 C ATOM 1391 OG SER A 84 -14.105 -0.794 9.409 1.00 1.09 O ATOM 0 H SER A 84 -15.193 0.748 6.029 1.00 0.17 H new ATOM 0 HA SER A 84 -14.556 1.701 8.620 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.665 -0.476 8.105 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.183 -1.052 7.369 1.00 0.22 H new ATOM 0 HG SER A 84 -14.381 -1.719 9.581 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.066 0.925 6.627 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.620 1.010 6.468 1.00 0.16 C ATOM 1399 C ALA A 85 -10.156 2.431 6.721 1.00 0.19 C ATOM 1400 O ALA A 85 -9.120 2.660 7.346 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.209 0.566 5.071 1.00 0.14 C ATOM 0 H ALA A 85 -12.571 0.668 5.779 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.149 0.346 7.193 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.126 0.636 4.971 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.522 -0.466 4.910 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.684 1.209 4.330 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.946 3.376 6.228 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.648 4.803 6.380 1.00 0.25 C ATOM 1409 C TYR A 86 -10.147 5.119 7.787 1.00 0.31 C ATOM 1410 O TYR A 86 -8.915 5.229 7.964 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.893 5.647 6.081 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.260 5.724 4.614 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.172 4.608 3.794 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.701 6.915 4.054 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.511 4.674 2.457 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -13.043 6.992 2.718 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.948 5.869 1.923 1.00 0.34 C ATOM 1418 OH TYR A 86 -13.292 5.941 0.593 1.00 0.40 O ATOM 1419 OXT TYR A 86 -10.989 5.255 8.699 1.00 1.02 O ATOM 0 H TYR A 86 -11.806 3.182 5.715 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.862 5.051 5.667 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.738 5.235 6.633 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.730 6.658 6.456 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -11.832 3.671 4.209 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.778 7.796 4.673 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.435 3.796 1.833 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -13.383 7.927 2.298 1.00 0.44 H new ATOM 0 HH TYR A 86 -13.202 5.055 0.183 1.00 0.40 H new TER 1429 TYR A 86