USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 53 GLN : amide:sc= 0.0205 K(o=0.039,f=-0.51) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -164:sc= 0.0189 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -152:sc= -2.29 USER MOD Set 2.2: A 29 THR OG1 : rot 150:sc= 0 USER MOD Set 2.3: A 57 THR OG1 : rot -77:sc= 1.15 USER MOD Set 2.4: A 64 SER OG : rot 79:sc= -2.1! USER MOD Set 3.1: A 1 MET N :NH3+ -118:sc= 1.03 (180deg=-0.346!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -140:sc= -4.84 (180deg=-10.7!) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -1.01 (180deg=-1.39) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.252) USER MOD Single : A 11 ASN : amide:sc= -0.481 K(o=-0.48,f=-4.7!) USER MOD Single : A 15 ASN : amide:sc= -2.02! C(o=-2!,f=-2.3!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -1.04 (180deg=-1.07) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.024) USER MOD Single : A 37 ASN : amide:sc=-0.00388 X(o=-0.0039,f=-0.22) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.248 (180deg=-1.61!) USER MOD Single : A 44 ASN : amide:sc= -0.591 K(o=-0.59,f=-0.0006) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -123:sc= 0.419 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -115:sc= -0.168 (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.432 -10.263 8.375 1.00 0.00 N ATOM 2 CA MET A 1 -11.018 -10.577 8.480 1.00 0.00 C ATOM 3 C MET A 1 -10.436 -10.054 9.795 1.00 0.00 C ATOM 4 O MET A 1 -11.155 -9.480 10.612 1.00 0.00 O ATOM 5 CB MET A 1 -10.267 -9.950 7.304 1.00 0.00 C ATOM 6 CG MET A 1 -10.482 -8.436 7.260 1.00 0.00 C ATOM 7 SD MET A 1 -12.058 -8.065 6.508 1.00 0.00 S ATOM 8 CE MET A 1 -12.207 -6.339 6.937 1.00 0.00 C ATOM 0 H1 MET A 1 -12.981 -11.145 8.324 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.729 -9.718 9.209 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.600 -9.701 7.516 1.00 0.00 H new ATOM 0 HA MET A 1 -10.903 -11.661 8.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.202 -10.167 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.609 -10.397 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.446 -8.026 8.269 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.679 -7.963 6.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.238 -6.121 7.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.549 -6.115 7.777 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.925 -5.726 6.081 1.00 0.00 H new ATOM 18 N ASP A 2 -9.139 -10.270 9.958 1.00 0.00 N ATOM 19 CA ASP A 2 -8.452 -9.827 11.160 1.00 0.00 C ATOM 20 C ASP A 2 -7.493 -8.689 10.804 1.00 0.00 C ATOM 21 O ASP A 2 -6.896 -8.688 9.728 1.00 0.00 O ATOM 22 CB ASP A 2 -7.630 -10.962 11.774 1.00 0.00 C ATOM 23 CG ASP A 2 -8.002 -11.323 13.214 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.217 -11.478 13.465 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.063 -11.435 14.031 1.00 0.00 O ATOM 0 H ASP A 2 -8.546 -10.746 9.278 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.204 -9.497 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.743 -11.850 11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.576 -10.684 11.745 1.00 0.00 H new ATOM 30 N ILE A 3 -7.376 -7.746 11.727 1.00 0.00 N ATOM 31 CA ILE A 3 -6.500 -6.605 11.525 1.00 0.00 C ATOM 32 C ILE A 3 -5.625 -6.411 12.765 1.00 0.00 C ATOM 33 O ILE A 3 -6.108 -6.515 13.892 1.00 0.00 O ATOM 34 CB ILE A 3 -7.314 -5.365 11.147 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.027 -5.565 9.808 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.436 -4.112 11.148 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.657 -4.258 9.323 1.00 0.00 C ATOM 0 H ILE A 3 -7.874 -7.749 12.617 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.828 -6.786 10.686 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.085 -5.218 11.903 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.318 -5.929 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.798 -6.328 9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.039 -3.245 10.876 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.015 -3.964 12.142 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.628 -4.233 10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.157 -4.427 8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.383 -3.910 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.880 -3.505 9.196 1.00 0.00 H new ATOM 49 N LYS A 4 -4.354 -6.134 12.516 1.00 0.00 N ATOM 50 CA LYS A 4 -3.407 -5.926 13.599 1.00 0.00 C ATOM 51 C LYS A 4 -2.615 -4.643 13.338 1.00 0.00 C ATOM 52 O LYS A 4 -1.816 -4.582 12.405 1.00 0.00 O ATOM 53 CB LYS A 4 -2.528 -7.164 13.788 1.00 0.00 C ATOM 54 CG LYS A 4 -1.599 -7.365 12.589 1.00 0.00 C ATOM 55 CD LYS A 4 -1.064 -8.797 12.544 1.00 0.00 C ATOM 56 CE LYS A 4 0.465 -8.814 12.596 1.00 0.00 C ATOM 57 NZ LYS A 4 0.993 -10.024 11.926 1.00 0.00 N ATOM 0 H LYS A 4 -3.957 -6.049 11.580 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.933 -5.790 14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.936 -7.059 14.697 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.157 -8.045 13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.137 -7.145 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.767 -6.664 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.466 -9.366 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.406 -9.288 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.861 -7.921 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.800 -8.790 13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.019 -9.925 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.801 -10.859 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.530 -10.139 11.002 1.00 0.00 H new ATOM 71 N ILE A 5 -2.864 -3.651 14.179 1.00 0.00 N ATOM 72 CA ILE A 5 -2.184 -2.373 14.051 1.00 0.00 C ATOM 73 C ILE A 5 -0.682 -2.577 14.256 1.00 0.00 C ATOM 74 O ILE A 5 -0.243 -2.927 15.351 1.00 0.00 O ATOM 75 CB ILE A 5 -2.799 -1.341 14.999 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.263 -1.073 14.642 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.970 -0.056 15.023 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.147 -1.105 15.891 1.00 0.00 C ATOM 0 H ILE A 5 -3.527 -3.706 14.952 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.318 -1.969 13.047 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.784 -1.752 16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.350 -0.102 14.155 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.609 -1.820 13.928 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.429 0.660 15.704 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.959 -0.282 15.361 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.931 0.370 14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.182 -0.912 15.609 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.076 -2.086 16.362 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.813 -0.341 16.593 1.00 0.00 H new ATOM 90 N ILE A 6 0.065 -2.350 13.186 1.00 0.00 N ATOM 91 CA ILE A 6 1.509 -2.505 13.234 1.00 0.00 C ATOM 92 C ILE A 6 2.121 -1.312 13.972 1.00 0.00 C ATOM 93 O ILE A 6 2.556 -1.442 15.115 1.00 0.00 O ATOM 94 CB ILE A 6 2.073 -2.712 11.827 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.705 -4.095 11.287 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.584 -2.470 11.801 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.674 -5.161 11.802 1.00 0.00 C ATOM 0 H ILE A 6 -0.303 -2.060 12.280 1.00 0.00 H new ATOM 0 HA ILE A 6 1.778 -3.400 13.795 1.00 0.00 H new ATOM 0 HB ILE A 6 1.617 -1.976 11.165 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.688 -4.348 11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.721 -4.080 10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.960 -2.624 10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.794 -1.447 12.115 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.076 -3.166 12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.389 -6.135 11.403 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.687 -4.919 11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.637 -5.190 12.891 1.00 0.00 H new ATOM 109 N LYS A 7 2.135 -0.177 13.289 1.00 0.00 N ATOM 110 CA LYS A 7 2.686 1.037 13.865 1.00 0.00 C ATOM 111 C LYS A 7 1.765 2.215 13.539 1.00 0.00 C ATOM 112 O LYS A 7 0.964 2.142 12.609 1.00 0.00 O ATOM 113 CB LYS A 7 4.131 1.240 13.406 1.00 0.00 C ATOM 114 CG LYS A 7 5.118 0.714 14.450 1.00 0.00 C ATOM 115 CD LYS A 7 6.556 0.800 13.937 1.00 0.00 C ATOM 116 CE LYS A 7 7.509 1.243 15.049 1.00 0.00 C ATOM 117 NZ LYS A 7 8.313 2.405 14.610 1.00 0.00 N ATOM 0 H LYS A 7 1.773 -0.073 12.341 1.00 0.00 H new ATOM 0 HA LYS A 7 2.730 0.958 14.951 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.291 0.726 12.458 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.314 2.300 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.021 1.290 15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.877 -0.320 14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.867 -0.171 13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.608 1.504 13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.940 1.503 15.941 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.168 0.419 15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.954 2.693 15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.870 2.145 13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.680 3.195 14.373 1.00 0.00 H new ATOM 131 N ASP A 8 1.910 3.273 14.323 1.00 0.00 N ATOM 132 CA ASP A 8 1.102 4.464 14.130 1.00 0.00 C ATOM 133 C ASP A 8 2.019 5.684 14.010 1.00 0.00 C ATOM 134 O ASP A 8 2.615 6.116 14.995 1.00 0.00 O ATOM 135 CB ASP A 8 0.164 4.693 15.317 1.00 0.00 C ATOM 136 CG ASP A 8 -0.178 6.157 15.598 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.155 6.942 14.625 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.456 6.459 16.778 1.00 0.00 O ATOM 0 H ASP A 8 2.576 3.330 15.094 1.00 0.00 H new ATOM 0 HA ASP A 8 0.511 4.326 13.225 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.762 4.147 15.139 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.620 4.264 16.209 1.00 0.00 H new ATOM 143 N LYS A 9 2.103 6.204 12.794 1.00 0.00 N ATOM 144 CA LYS A 9 2.937 7.364 12.533 1.00 0.00 C ATOM 145 C LYS A 9 2.046 8.560 12.190 1.00 0.00 C ATOM 146 O LYS A 9 1.040 8.412 11.498 1.00 0.00 O ATOM 147 CB LYS A 9 3.978 7.045 11.458 1.00 0.00 C ATOM 148 CG LYS A 9 4.462 8.322 10.768 1.00 0.00 C ATOM 149 CD LYS A 9 5.949 8.226 10.418 1.00 0.00 C ATOM 150 CE LYS A 9 6.227 8.819 9.036 1.00 0.00 C ATOM 151 NZ LYS A 9 7.679 8.814 8.752 1.00 0.00 N ATOM 0 H LYS A 9 1.607 5.843 11.979 1.00 0.00 H new ATOM 0 HA LYS A 9 3.505 7.633 13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.825 6.528 11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.548 6.369 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.881 8.492 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.293 9.179 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.538 8.753 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.265 7.183 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.700 8.244 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.845 9.839 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.850 9.220 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.175 9.382 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.034 7.837 8.778 1.00 0.00 H new ATOM 165 N LYS A 10 2.447 9.719 12.691 1.00 0.00 N ATOM 166 CA LYS A 10 1.698 10.940 12.447 1.00 0.00 C ATOM 167 C LYS A 10 2.529 11.876 11.567 1.00 0.00 C ATOM 168 O LYS A 10 3.757 11.870 11.634 1.00 0.00 O ATOM 169 CB LYS A 10 1.256 11.571 13.769 1.00 0.00 C ATOM 170 CG LYS A 10 -0.229 11.937 13.732 1.00 0.00 C ATOM 171 CD LYS A 10 -0.497 13.220 14.521 1.00 0.00 C ATOM 172 CE LYS A 10 -0.464 12.955 16.028 1.00 0.00 C ATOM 173 NZ LYS A 10 0.898 13.178 16.564 1.00 0.00 N ATOM 0 H LYS A 10 3.282 9.838 13.265 1.00 0.00 H new ATOM 0 HA LYS A 10 0.780 10.721 11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.443 10.876 14.588 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.849 12.464 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.549 12.068 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.819 11.120 14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.249 13.972 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.469 13.627 14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.172 13.611 16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.778 11.931 16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.841 13.380 17.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.475 12.326 16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.336 13.985 16.075 1.00 0.00 H new ATOM 187 N ASN A 11 1.826 12.657 10.760 1.00 0.00 N ATOM 188 CA ASN A 11 2.483 13.596 9.867 1.00 0.00 C ATOM 189 C ASN A 11 1.713 14.918 9.868 1.00 0.00 C ATOM 190 O ASN A 11 0.739 15.074 9.134 1.00 0.00 O ATOM 191 CB ASN A 11 2.509 13.066 8.433 1.00 0.00 C ATOM 192 CG ASN A 11 3.431 13.912 7.552 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.101 14.824 8.007 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.425 13.561 6.269 1.00 0.00 N ATOM 0 H ASN A 11 0.807 12.659 10.706 1.00 0.00 H new ATOM 0 HA ASN A 11 3.505 13.736 10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.848 12.030 8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.500 13.072 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.006 14.066 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.840 12.787 5.955 1.00 0.00 H new ATOM 201 N PRO A 12 2.191 15.861 10.724 1.00 0.00 N ATOM 202 CA PRO A 12 1.559 17.165 10.830 1.00 0.00 C ATOM 203 C PRO A 12 1.898 18.040 9.621 1.00 0.00 C ATOM 204 O PRO A 12 1.238 19.047 9.375 1.00 0.00 O ATOM 205 CB PRO A 12 2.065 17.742 12.142 1.00 0.00 C ATOM 206 CG PRO A 12 3.314 16.949 12.492 1.00 0.00 C ATOM 207 CD PRO A 12 3.343 15.712 11.609 1.00 0.00 C ATOM 0 HA PRO A 12 0.471 17.106 10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.292 18.803 12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.312 17.651 12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.207 17.553 12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.304 16.667 13.545 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.272 15.652 11.043 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.271 14.800 12.202 1.00 0.00 H new ATOM 215 N LEU A 13 2.928 17.622 8.900 1.00 0.00 N ATOM 216 CA LEU A 13 3.363 18.355 7.723 1.00 0.00 C ATOM 217 C LEU A 13 2.262 18.307 6.662 1.00 0.00 C ATOM 218 O LEU A 13 1.790 19.347 6.205 1.00 0.00 O ATOM 219 CB LEU A 13 4.713 17.827 7.232 1.00 0.00 C ATOM 220 CG LEU A 13 5.827 17.760 8.279 1.00 0.00 C ATOM 221 CD1 LEU A 13 7.047 17.014 7.734 1.00 0.00 C ATOM 222 CD2 LEU A 13 6.189 19.157 8.785 1.00 0.00 C ATOM 0 H LEU A 13 3.474 16.786 9.108 1.00 0.00 H new ATOM 0 HA LEU A 13 3.526 19.405 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.563 16.827 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.051 18.459 6.410 1.00 0.00 H new ATOM 0 HG LEU A 13 5.458 17.194 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.824 16.981 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.761 15.998 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.426 17.532 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.983 19.080 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.531 19.769 7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.312 19.619 9.238 1.00 0.00 H new ATOM 234 N LEU A 14 1.885 17.090 6.301 1.00 0.00 N ATOM 235 CA LEU A 14 0.848 16.893 5.302 1.00 0.00 C ATOM 236 C LEU A 14 -0.523 16.947 5.979 1.00 0.00 C ATOM 237 O LEU A 14 -1.539 17.151 5.316 1.00 0.00 O ATOM 238 CB LEU A 14 1.097 15.603 4.518 1.00 0.00 C ATOM 239 CG LEU A 14 2.393 15.550 3.707 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.480 14.255 2.897 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.538 16.790 2.823 1.00 0.00 C ATOM 0 H LEU A 14 2.279 16.230 6.682 1.00 0.00 H new ATOM 0 HA LEU A 14 0.872 17.696 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.097 14.769 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.260 15.447 3.838 1.00 0.00 H new ATOM 0 HG LEU A 14 3.232 15.551 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.411 14.243 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.456 13.401 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.636 14.198 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.468 16.727 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.696 16.845 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.554 17.683 3.448 1.00 0.00 H new ATOM 253 N ASN A 15 -0.508 16.760 7.290 1.00 0.00 N ATOM 254 CA ASN A 15 -1.737 16.785 8.064 1.00 0.00 C ATOM 255 C ASN A 15 -2.443 15.433 7.936 1.00 0.00 C ATOM 256 O ASN A 15 -3.671 15.368 7.938 1.00 0.00 O ATOM 257 CB ASN A 15 -2.690 17.866 7.550 1.00 0.00 C ATOM 258 CG ASN A 15 -3.677 18.290 8.640 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.850 17.957 8.614 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.138 19.042 9.595 1.00 0.00 N ATOM 0 H ASN A 15 0.336 16.590 7.836 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.478 16.996 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.118 18.731 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.237 17.492 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.715 19.377 10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.148 19.284 9.556 1.00 0.00 H new ATOM 267 N ARG A 16 -1.635 14.388 7.828 1.00 0.00 N ATOM 268 CA ARG A 16 -2.167 13.042 7.699 1.00 0.00 C ATOM 269 C ARG A 16 -1.589 12.137 8.789 1.00 0.00 C ATOM 270 O ARG A 16 -0.866 12.602 9.669 1.00 0.00 O ATOM 271 CB ARG A 16 -1.839 12.450 6.327 1.00 0.00 C ATOM 272 CG ARG A 16 -0.339 12.181 6.190 1.00 0.00 C ATOM 273 CD ARG A 16 0.006 11.712 4.775 1.00 0.00 C ATOM 274 NE ARG A 16 1.365 11.127 4.754 1.00 0.00 N ATOM 275 CZ ARG A 16 2.037 10.829 3.633 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.480 11.058 2.437 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.266 10.301 3.710 1.00 0.00 N ATOM 0 H ARG A 16 -0.617 14.446 7.827 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.250 13.101 7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.393 11.522 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.162 13.136 5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.220 13.088 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.034 11.424 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.722 10.973 4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.049 12.551 4.081 1.00 0.00 H new ATOM 0 HE ARG A 16 1.819 10.939 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.544 11.459 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.992 10.831 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.690 10.126 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.778 10.074 2.857 1.00 0.00 H new ATOM 291 N ARG A 17 -1.930 10.860 8.696 1.00 0.00 N ATOM 292 CA ARG A 17 -1.455 9.886 9.663 1.00 0.00 C ATOM 293 C ARG A 17 -1.104 8.571 8.963 1.00 0.00 C ATOM 294 O ARG A 17 -1.933 8.001 8.255 1.00 0.00 O ATOM 295 CB ARG A 17 -2.509 9.618 10.739 1.00 0.00 C ATOM 296 CG ARG A 17 -1.878 9.605 12.133 1.00 0.00 C ATOM 297 CD ARG A 17 -2.467 8.484 12.991 1.00 0.00 C ATOM 298 NE ARG A 17 -3.142 9.056 14.177 1.00 0.00 N ATOM 299 CZ ARG A 17 -2.519 9.355 15.325 1.00 0.00 C ATOM 300 NH1 ARG A 17 -1.202 9.138 15.449 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.212 9.870 16.349 1.00 0.00 N ATOM 0 H ARG A 17 -2.530 10.478 7.965 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.565 10.298 10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.283 10.384 10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.995 8.661 10.547 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.799 9.473 12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.044 10.566 12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.177 7.901 12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.677 7.802 13.306 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.145 9.234 14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.674 8.745 14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.728 9.366 16.323 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.214 10.035 16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.738 10.097 17.223 1.00 0.00 H new ATOM 315 N GLU A 18 0.124 8.128 9.186 1.00 0.00 N ATOM 316 CA GLU A 18 0.594 6.891 8.586 1.00 0.00 C ATOM 317 C GLU A 18 0.398 5.723 9.554 1.00 0.00 C ATOM 318 O GLU A 18 1.117 5.606 10.545 1.00 0.00 O ATOM 319 CB GLU A 18 2.059 7.010 8.160 1.00 0.00 C ATOM 320 CG GLU A 18 2.290 8.279 7.338 1.00 0.00 C ATOM 321 CD GLU A 18 2.290 7.969 5.839 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.178 7.902 5.273 1.00 0.00 O ATOM 323 OE2 GLU A 18 3.403 7.807 5.294 1.00 0.00 O ATOM 0 H GLU A 18 0.808 8.604 9.774 1.00 0.00 H new ATOM 0 HA GLU A 18 0.004 6.698 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.698 7.023 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.343 6.136 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.512 9.008 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.241 8.731 7.620 1.00 0.00 H new ATOM 330 N LEU A 19 -0.580 4.888 9.233 1.00 0.00 N ATOM 331 CA LEU A 19 -0.880 3.733 10.062 1.00 0.00 C ATOM 332 C LEU A 19 -0.625 2.455 9.260 1.00 0.00 C ATOM 333 O LEU A 19 -1.033 2.351 8.104 1.00 0.00 O ATOM 334 CB LEU A 19 -2.298 3.833 10.627 1.00 0.00 C ATOM 335 CG LEU A 19 -2.727 5.215 11.124 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.909 5.748 10.311 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.028 5.189 12.624 1.00 0.00 C ATOM 0 H LEU A 19 -1.175 4.989 8.410 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.219 3.703 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.998 3.513 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.389 3.128 11.453 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.896 5.905 10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.194 6.731 10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.623 5.827 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.753 5.065 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.331 6.184 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.833 4.481 12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.135 4.884 13.169 1.00 0.00 H new ATOM 349 N ASP A 20 0.047 1.513 9.906 1.00 0.00 N ATOM 350 CA ASP A 20 0.360 0.246 9.268 1.00 0.00 C ATOM 351 C ASP A 20 -0.301 -0.891 10.049 1.00 0.00 C ATOM 352 O ASP A 20 -0.402 -0.831 11.273 1.00 0.00 O ATOM 353 CB ASP A 20 1.870 -0.005 9.254 1.00 0.00 C ATOM 354 CG ASP A 20 2.706 1.118 8.638 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.085 2.078 8.135 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.949 0.990 8.683 1.00 0.00 O ATOM 0 H ASP A 20 0.383 1.602 10.865 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.009 0.284 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.206 -0.168 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.065 -0.926 8.705 1.00 0.00 H new ATOM 361 N PHE A 21 -0.734 -1.901 9.309 1.00 0.00 N ATOM 362 CA PHE A 21 -1.383 -3.050 9.917 1.00 0.00 C ATOM 363 C PHE A 21 -1.373 -4.251 8.968 1.00 0.00 C ATOM 364 O PHE A 21 -1.128 -4.100 7.772 1.00 0.00 O ATOM 365 CB PHE A 21 -2.833 -2.649 10.196 1.00 0.00 C ATOM 366 CG PHE A 21 -3.656 -2.371 8.937 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.483 -1.208 8.254 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.561 -3.287 8.500 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.247 -0.950 7.085 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.325 -3.029 7.331 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.152 -1.866 6.649 1.00 0.00 C ATOM 0 H PHE A 21 -0.648 -1.948 8.294 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.857 -3.335 10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.316 -3.444 10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.838 -1.759 10.825 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.764 -0.480 8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.699 -4.211 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.109 -0.026 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.043 -3.757 6.984 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.734 -1.670 5.760 1.00 0.00 H new ATOM 381 N ILE A 22 -1.642 -5.416 9.538 1.00 0.00 N ATOM 382 CA ILE A 22 -1.666 -6.642 8.759 1.00 0.00 C ATOM 383 C ILE A 22 -3.092 -7.198 8.735 1.00 0.00 C ATOM 384 O ILE A 22 -3.750 -7.274 9.771 1.00 0.00 O ATOM 385 CB ILE A 22 -0.629 -7.634 9.287 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.768 -7.010 9.304 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.663 -8.941 8.491 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.340 -6.908 7.889 1.00 0.00 C ATOM 0 H ILE A 22 -1.845 -5.537 10.530 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.383 -6.441 7.726 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.886 -7.879 10.318 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.722 -6.018 9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.431 -7.611 9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.084 -9.628 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.652 -9.392 8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.446 -8.734 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.333 -6.461 7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.408 -7.904 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.687 -6.286 7.277 1.00 0.00 H new ATOM 400 N VAL A 23 -3.527 -7.572 7.541 1.00 0.00 N ATOM 401 CA VAL A 23 -4.862 -8.118 7.368 1.00 0.00 C ATOM 402 C VAL A 23 -4.772 -9.638 7.222 1.00 0.00 C ATOM 403 O VAL A 23 -4.164 -10.140 6.278 1.00 0.00 O ATOM 404 CB VAL A 23 -5.554 -7.444 6.181 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.043 -7.794 6.144 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.348 -5.928 6.215 1.00 0.00 C ATOM 0 H VAL A 23 -2.978 -7.508 6.684 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.475 -7.911 8.245 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.097 -7.824 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.511 -7.302 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.161 -8.874 6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.519 -7.456 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.850 -5.473 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.765 -5.525 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.282 -5.705 6.171 1.00 0.00 H new ATOM 416 N LYS A 24 -5.386 -10.329 8.172 1.00 0.00 N ATOM 417 CA LYS A 24 -5.382 -11.782 8.161 1.00 0.00 C ATOM 418 C LYS A 24 -6.809 -12.290 7.943 1.00 0.00 C ATOM 419 O LYS A 24 -7.774 -11.594 8.257 1.00 0.00 O ATOM 420 CB LYS A 24 -4.723 -12.326 9.430 1.00 0.00 C ATOM 421 CG LYS A 24 -3.210 -12.462 9.247 1.00 0.00 C ATOM 422 CD LYS A 24 -2.455 -11.773 10.385 1.00 0.00 C ATOM 423 CE LYS A 24 -1.086 -12.418 10.605 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.374 -12.575 9.317 1.00 0.00 N ATOM 0 H LYS A 24 -5.889 -9.910 8.954 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.780 -12.155 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.933 -11.660 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.152 -13.297 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.938 -13.517 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.915 -12.025 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.330 -10.715 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.040 -11.832 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.493 -11.804 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.208 -13.391 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.524 -13.075 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.964 -13.123 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.181 -11.637 8.911 1.00 0.00 H new ATOM 438 N TYR A 25 -6.897 -13.498 7.407 1.00 0.00 N ATOM 439 CA TYR A 25 -8.190 -14.107 7.144 1.00 0.00 C ATOM 440 C TYR A 25 -8.039 -15.591 6.805 1.00 0.00 C ATOM 441 O TYR A 25 -6.926 -16.116 6.781 1.00 0.00 O ATOM 442 CB TYR A 25 -8.762 -13.374 5.929 1.00 0.00 C ATOM 443 CG TYR A 25 -7.784 -13.253 4.758 1.00 0.00 C ATOM 444 CD1 TYR A 25 -6.821 -12.264 4.763 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.864 -14.133 3.698 1.00 0.00 C ATOM 446 CE1 TYR A 25 -5.901 -12.150 3.662 1.00 0.00 C ATOM 447 CE2 TYR A 25 -6.943 -14.019 2.597 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.007 -13.033 2.633 1.00 0.00 C ATOM 449 OH TYR A 25 -5.138 -12.926 1.593 1.00 0.00 O ATOM 0 H TYR A 25 -6.094 -14.072 7.148 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.835 -14.032 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.656 -13.897 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.073 -12.375 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.758 -11.576 5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.617 -14.907 3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.143 -11.380 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.994 -14.701 1.761 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.559 -13.270 0.778 1.00 0.00 H new ATOM 459 N GLU A 26 -9.173 -16.226 6.550 1.00 0.00 N ATOM 460 CA GLU A 26 -9.180 -17.640 6.214 1.00 0.00 C ATOM 461 C GLU A 26 -10.162 -17.908 5.071 1.00 0.00 C ATOM 462 O GLU A 26 -11.239 -18.461 5.290 1.00 0.00 O ATOM 463 CB GLU A 26 -9.518 -18.493 7.438 1.00 0.00 C ATOM 464 CG GLU A 26 -8.254 -19.114 8.038 1.00 0.00 C ATOM 465 CD GLU A 26 -8.528 -19.667 9.438 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.909 -18.853 10.306 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.349 -20.893 9.609 1.00 0.00 O ATOM 0 H GLU A 26 -10.094 -15.788 6.569 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.180 -17.920 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.017 -17.879 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.216 -19.281 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.895 -19.914 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.464 -18.365 8.087 1.00 0.00 H new ATOM 474 N GLY A 27 -9.754 -17.505 3.876 1.00 0.00 N ATOM 475 CA GLY A 27 -10.584 -17.695 2.699 1.00 0.00 C ATOM 476 C GLY A 27 -10.376 -16.561 1.692 1.00 0.00 C ATOM 477 O GLY A 27 -9.254 -16.095 1.501 1.00 0.00 O ATOM 0 H GLY A 27 -8.860 -17.048 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.345 -18.650 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.633 -17.738 2.992 1.00 0.00 H new ATOM 481 N SER A 28 -11.474 -16.151 1.076 1.00 0.00 N ATOM 482 CA SER A 28 -11.426 -15.081 0.094 1.00 0.00 C ATOM 483 C SER A 28 -10.740 -13.852 0.692 1.00 0.00 C ATOM 484 O SER A 28 -10.659 -13.714 1.912 1.00 0.00 O ATOM 485 CB SER A 28 -12.829 -14.720 -0.397 1.00 0.00 C ATOM 486 OG SER A 28 -13.265 -15.578 -1.448 1.00 0.00 O ATOM 0 H SER A 28 -12.403 -16.540 1.238 1.00 0.00 H new ATOM 0 HA SER A 28 -10.850 -15.430 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.531 -14.781 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.836 -13.687 -0.746 1.00 0.00 H new ATOM 0 HG SER A 28 -14.165 -15.316 -1.732 1.00 0.00 H new ATOM 492 N THR A 29 -10.265 -12.989 -0.193 1.00 0.00 N ATOM 493 CA THR A 29 -9.589 -11.775 0.233 1.00 0.00 C ATOM 494 C THR A 29 -10.607 -10.668 0.514 1.00 0.00 C ATOM 495 O THR A 29 -11.615 -10.556 -0.181 1.00 0.00 O ATOM 496 CB THR A 29 -8.566 -11.401 -0.842 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.473 -12.284 -0.604 1.00 0.00 O ATOM 498 CG2 THR A 29 -7.974 -10.007 -0.627 1.00 0.00 C ATOM 0 H THR A 29 -10.335 -13.106 -1.204 1.00 0.00 H new ATOM 0 HA THR A 29 -9.055 -11.928 1.171 1.00 0.00 H new ATOM 0 HB THR A 29 -9.038 -11.447 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.014 -12.471 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.254 -9.791 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.772 -9.265 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.473 -9.970 0.340 1.00 0.00 H new ATOM 506 N PRO A 30 -10.299 -9.858 1.562 1.00 0.00 N ATOM 507 CA PRO A 30 -11.175 -8.763 1.944 1.00 0.00 C ATOM 508 C PRO A 30 -11.056 -7.597 0.962 1.00 0.00 C ATOM 509 O PRO A 30 -10.160 -7.579 0.120 1.00 0.00 O ATOM 510 CB PRO A 30 -10.752 -8.396 3.357 1.00 0.00 C ATOM 511 CG PRO A 30 -9.360 -8.977 3.540 1.00 0.00 C ATOM 512 CD PRO A 30 -9.113 -9.960 2.407 1.00 0.00 C ATOM 0 HA PRO A 30 -12.229 -9.039 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.745 -7.315 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.446 -8.806 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.611 -8.185 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.279 -9.478 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.209 -9.707 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.982 -10.974 2.784 1.00 0.00 H new ATOM 520 N SER A 31 -11.974 -6.651 1.102 1.00 0.00 N ATOM 521 CA SER A 31 -11.983 -5.483 0.237 1.00 0.00 C ATOM 522 C SER A 31 -11.481 -4.259 1.005 1.00 0.00 C ATOM 523 O SER A 31 -11.759 -4.111 2.194 1.00 0.00 O ATOM 524 CB SER A 31 -13.383 -5.222 -0.321 1.00 0.00 C ATOM 525 OG SER A 31 -13.835 -6.289 -1.151 1.00 0.00 O ATOM 0 H SER A 31 -12.716 -6.670 1.801 1.00 0.00 H new ATOM 0 HA SER A 31 -11.316 -5.675 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.082 -5.083 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.378 -4.295 -0.894 1.00 0.00 H new ATOM 0 HG SER A 31 -14.733 -6.085 -1.486 1.00 0.00 H new ATOM 531 N ARG A 32 -10.750 -3.413 0.294 1.00 0.00 N ATOM 532 CA ARG A 32 -10.207 -2.206 0.895 1.00 0.00 C ATOM 533 C ARG A 32 -11.281 -1.494 1.720 1.00 0.00 C ATOM 534 O ARG A 32 -10.990 -0.945 2.781 1.00 0.00 O ATOM 535 CB ARG A 32 -9.678 -1.249 -0.175 1.00 0.00 C ATOM 536 CG ARG A 32 -8.235 -1.591 -0.551 1.00 0.00 C ATOM 537 CD ARG A 32 -7.764 -0.750 -1.739 1.00 0.00 C ATOM 538 NE ARG A 32 -7.492 -1.624 -2.903 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.133 -1.174 -4.112 1.00 0.00 C ATOM 540 NH1 ARG A 32 -6.999 0.142 -4.326 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.907 -2.041 -5.109 1.00 0.00 N ATOM 0 H ARG A 32 -10.521 -3.539 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.382 -2.501 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.311 -1.303 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.729 -0.224 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.582 -1.417 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.161 -2.650 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.524 -0.013 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.863 -0.198 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.584 -2.632 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.170 0.802 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.725 0.484 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.009 -3.043 -4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.634 -1.699 -6.030 1.00 0.00 H new ATOM 555 N ASN A 33 -12.499 -1.526 1.201 1.00 0.00 N ATOM 556 CA ASN A 33 -13.618 -0.891 1.876 1.00 0.00 C ATOM 557 C ASN A 33 -13.883 -1.609 3.201 1.00 0.00 C ATOM 558 O ASN A 33 -14.096 -0.967 4.228 1.00 0.00 O ATOM 559 CB ASN A 33 -14.890 -0.973 1.031 1.00 0.00 C ATOM 560 CG ASN A 33 -14.659 -0.393 -0.366 1.00 0.00 C ATOM 561 OD1 ASN A 33 -14.194 0.722 -0.534 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.010 -1.209 -1.355 1.00 0.00 N ATOM 0 H ASN A 33 -12.736 -1.982 0.320 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.362 0.156 2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.210 -2.012 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.695 -0.430 1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.896 -0.914 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.394 -2.130 -1.144 1.00 0.00 H new ATOM 569 N ASP A 34 -13.861 -2.932 3.134 1.00 0.00 N ATOM 570 CA ASP A 34 -14.096 -3.745 4.316 1.00 0.00 C ATOM 571 C ASP A 34 -13.027 -3.433 5.365 1.00 0.00 C ATOM 572 O ASP A 34 -13.347 -3.177 6.525 1.00 0.00 O ATOM 573 CB ASP A 34 -14.012 -5.236 3.984 1.00 0.00 C ATOM 574 CG ASP A 34 -15.352 -5.906 3.673 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.151 -5.269 2.954 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.546 -7.040 4.162 1.00 0.00 O ATOM 0 H ASP A 34 -13.684 -3.461 2.280 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.093 -3.515 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.351 -5.365 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.550 -5.754 4.824 1.00 0.00 H new ATOM 581 N VAL A 35 -11.780 -3.465 4.920 1.00 0.00 N ATOM 582 CA VAL A 35 -10.662 -3.188 5.807 1.00 0.00 C ATOM 583 C VAL A 35 -10.768 -1.751 6.321 1.00 0.00 C ATOM 584 O VAL A 35 -10.490 -1.484 7.489 1.00 0.00 O ATOM 585 CB VAL A 35 -9.342 -3.471 5.087 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.152 -2.974 5.911 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.201 -4.959 4.763 1.00 0.00 C ATOM 0 H VAL A 35 -11.518 -3.678 3.957 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.690 -3.846 6.676 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.350 -2.923 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.226 -3.187 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.242 -1.899 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.140 -3.481 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.254 -5.132 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.225 -5.536 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.023 -5.271 4.119 1.00 0.00 H new ATOM 597 N ARG A 36 -11.170 -0.863 5.423 1.00 0.00 N ATOM 598 CA ARG A 36 -11.315 0.540 5.771 1.00 0.00 C ATOM 599 C ARG A 36 -12.324 0.702 6.910 1.00 0.00 C ATOM 600 O ARG A 36 -12.038 1.362 7.908 1.00 0.00 O ATOM 601 CB ARG A 36 -11.779 1.361 4.566 1.00 0.00 C ATOM 602 CG ARG A 36 -10.667 2.287 4.073 1.00 0.00 C ATOM 603 CD ARG A 36 -11.248 3.532 3.399 1.00 0.00 C ATOM 604 NE ARG A 36 -10.485 3.845 2.170 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.909 4.687 1.217 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.091 5.304 1.345 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.149 4.911 0.136 1.00 0.00 N ATOM 0 H ARG A 36 -11.400 -1.088 4.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.339 0.906 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.084 0.692 3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.654 1.951 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.037 2.584 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.029 1.752 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.297 3.367 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.211 4.378 4.085 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.580 3.392 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.669 5.133 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.413 5.945 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.249 4.441 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.471 5.551 -0.590 1.00 0.00 H new ATOM 621 N ASN A 37 -13.484 0.090 6.722 1.00 0.00 N ATOM 622 CA ASN A 37 -14.537 0.158 7.721 1.00 0.00 C ATOM 623 C ASN A 37 -14.041 -0.475 9.022 1.00 0.00 C ATOM 624 O ASN A 37 -14.433 -0.055 10.110 1.00 0.00 O ATOM 625 CB ASN A 37 -15.779 -0.609 7.265 1.00 0.00 C ATOM 626 CG ASN A 37 -16.863 0.349 6.765 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.253 1.291 7.435 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.325 0.057 5.552 1.00 0.00 N ATOM 0 H ASN A 37 -13.718 -0.455 5.892 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.795 1.207 7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.510 -1.305 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.167 -1.204 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.050 0.637 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.955 -0.747 5.045 1.00 0.00 H new ATOM 635 N LYS A 38 -13.187 -1.476 8.868 1.00 0.00 N ATOM 636 CA LYS A 38 -12.634 -2.172 10.017 1.00 0.00 C ATOM 637 C LYS A 38 -11.726 -1.218 10.797 1.00 0.00 C ATOM 638 O LYS A 38 -11.892 -1.046 12.004 1.00 0.00 O ATOM 639 CB LYS A 38 -11.938 -3.462 9.579 1.00 0.00 C ATOM 640 CG LYS A 38 -11.977 -4.511 10.692 1.00 0.00 C ATOM 641 CD LYS A 38 -12.306 -5.896 10.129 1.00 0.00 C ATOM 642 CE LYS A 38 -12.934 -6.789 11.201 1.00 0.00 C ATOM 643 NZ LYS A 38 -13.981 -7.651 10.609 1.00 0.00 N ATOM 0 H LYS A 38 -12.864 -1.822 7.964 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.430 -2.481 10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.423 -3.856 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.903 -3.248 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.014 -4.541 11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.723 -4.230 11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.991 -5.797 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.398 -6.363 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.165 -7.407 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.365 -6.172 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.169 -8.454 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.853 -7.099 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.658 -8.006 9.687 1.00 0.00 H new ATOM 657 N LEU A 39 -10.788 -0.623 10.076 1.00 0.00 N ATOM 658 CA LEU A 39 -9.854 0.309 10.685 1.00 0.00 C ATOM 659 C LEU A 39 -10.625 1.512 11.232 1.00 0.00 C ATOM 660 O LEU A 39 -10.484 1.863 12.402 1.00 0.00 O ATOM 661 CB LEU A 39 -8.749 0.684 9.695 1.00 0.00 C ATOM 662 CG LEU A 39 -7.314 0.515 10.196 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.782 -0.884 9.875 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.406 1.614 9.641 1.00 0.00 C ATOM 0 H LEU A 39 -10.654 -0.768 9.075 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.347 -0.156 11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.873 0.079 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.890 1.724 9.401 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.317 0.617 11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.760 -0.978 10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.411 -1.632 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.796 -1.040 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.392 1.470 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.403 1.568 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.775 2.588 9.962 1.00 0.00 H new ATOM 676 N ALA A 40 -11.422 2.110 10.359 1.00 0.00 N ATOM 677 CA ALA A 40 -12.215 3.266 10.740 1.00 0.00 C ATOM 678 C ALA A 40 -12.948 2.967 12.049 1.00 0.00 C ATOM 679 O ALA A 40 -13.091 3.845 12.899 1.00 0.00 O ATOM 680 CB ALA A 40 -13.174 3.625 9.603 1.00 0.00 C ATOM 0 H ALA A 40 -11.536 1.816 9.389 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.575 4.131 10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.769 4.492 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.602 3.857 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.835 2.781 9.404 1.00 0.00 H new ATOM 686 N ALA A 41 -13.394 1.726 12.170 1.00 0.00 N ATOM 687 CA ALA A 41 -14.109 1.300 13.361 1.00 0.00 C ATOM 688 C ALA A 41 -13.115 1.116 14.510 1.00 0.00 C ATOM 689 O ALA A 41 -13.419 1.438 15.657 1.00 0.00 O ATOM 690 CB ALA A 41 -14.892 0.021 13.057 1.00 0.00 C ATOM 0 H ALA A 41 -13.274 1.001 11.463 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.830 2.058 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.428 -0.298 13.951 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.605 0.213 12.255 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.201 -0.764 12.748 1.00 0.00 H new ATOM 696 N MET A 42 -11.946 0.598 14.160 1.00 0.00 N ATOM 697 CA MET A 42 -10.905 0.367 15.147 1.00 0.00 C ATOM 698 C MET A 42 -10.355 1.690 15.684 1.00 0.00 C ATOM 699 O MET A 42 -10.212 1.862 16.893 1.00 0.00 O ATOM 700 CB MET A 42 -9.770 -0.439 14.513 1.00 0.00 C ATOM 701 CG MET A 42 -10.117 -1.928 14.461 1.00 0.00 C ATOM 702 SD MET A 42 -9.234 -2.806 15.741 1.00 0.00 S ATOM 703 CE MET A 42 -7.688 -3.105 14.901 1.00 0.00 C ATOM 0 H MET A 42 -11.697 0.332 13.207 1.00 0.00 H new ATOM 0 HA MET A 42 -11.336 -0.189 15.979 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.577 -0.072 13.505 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.854 -0.295 15.085 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.191 -2.064 14.589 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.859 -2.336 13.484 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.902 -3.280 15.636 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.786 -3.981 14.259 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.430 -2.237 14.294 1.00 0.00 H new ATOM 713 N LEU A 43 -10.061 2.591 14.758 1.00 0.00 N ATOM 714 CA LEU A 43 -9.529 3.893 15.122 1.00 0.00 C ATOM 715 C LEU A 43 -10.688 4.861 15.368 1.00 0.00 C ATOM 716 O LEU A 43 -10.470 6.051 15.594 1.00 0.00 O ATOM 717 CB LEU A 43 -8.534 4.380 14.067 1.00 0.00 C ATOM 718 CG LEU A 43 -7.853 3.292 13.234 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.658 3.857 12.464 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.460 2.099 14.107 1.00 0.00 C ATOM 0 H LEU A 43 -10.181 2.445 13.756 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.964 3.828 16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.055 5.056 13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.761 4.964 14.567 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.568 2.930 12.496 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.193 3.063 11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.997 4.648 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.931 4.264 13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.978 1.340 13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.769 2.428 14.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.352 1.677 14.570 1.00 0.00 H new ATOM 732 N ASN A 44 -11.894 4.316 15.315 1.00 0.00 N ATOM 733 CA ASN A 44 -13.088 5.117 15.529 1.00 0.00 C ATOM 734 C ASN A 44 -12.964 6.427 14.749 1.00 0.00 C ATOM 735 O ASN A 44 -13.369 7.483 15.233 1.00 0.00 O ATOM 736 CB ASN A 44 -13.260 5.463 17.010 1.00 0.00 C ATOM 737 CG ASN A 44 -13.035 4.232 17.890 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.957 3.523 18.258 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.761 4.020 18.207 1.00 0.00 N ATOM 0 H ASN A 44 -12.071 3.329 15.127 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.948 4.539 15.191 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.556 6.247 17.288 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.261 5.859 17.181 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.507 3.224 18.792 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.038 4.653 17.865 1.00 0.00 H new ATOM 746 N ALA A 45 -12.403 6.316 13.554 1.00 0.00 N ATOM 747 CA ALA A 45 -12.222 7.479 12.701 1.00 0.00 C ATOM 748 C ALA A 45 -13.133 7.357 11.479 1.00 0.00 C ATOM 749 O ALA A 45 -13.663 6.282 11.199 1.00 0.00 O ATOM 750 CB ALA A 45 -10.746 7.605 12.318 1.00 0.00 C ATOM 0 H ALA A 45 -12.068 5.439 13.156 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.501 8.390 13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.609 8.477 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.145 7.719 13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.431 6.709 11.783 1.00 0.00 H new ATOM 756 N PRO A 46 -13.292 8.503 10.763 1.00 0.00 N ATOM 757 CA PRO A 46 -14.130 8.534 9.577 1.00 0.00 C ATOM 758 C PRO A 46 -13.435 7.853 8.396 1.00 0.00 C ATOM 759 O PRO A 46 -12.234 8.023 8.196 1.00 0.00 O ATOM 760 CB PRO A 46 -14.409 10.008 9.332 1.00 0.00 C ATOM 761 CG PRO A 46 -13.344 10.768 10.106 1.00 0.00 C ATOM 762 CD PRO A 46 -12.679 9.793 11.064 1.00 0.00 C ATOM 0 HA PRO A 46 -15.061 7.981 9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.361 10.243 8.269 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.408 10.279 9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.608 11.195 9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.790 11.598 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.600 9.764 10.914 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.848 10.080 12.102 1.00 0.00 H new ATOM 770 N LEU A 47 -14.221 7.095 7.646 1.00 0.00 N ATOM 771 CA LEU A 47 -13.697 6.387 6.491 1.00 0.00 C ATOM 772 C LEU A 47 -13.184 7.401 5.466 1.00 0.00 C ATOM 773 O LEU A 47 -12.057 7.289 4.987 1.00 0.00 O ATOM 774 CB LEU A 47 -14.745 5.423 5.931 1.00 0.00 C ATOM 775 CG LEU A 47 -14.207 4.134 5.307 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.230 2.985 6.317 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.967 3.786 4.026 1.00 0.00 C ATOM 0 H LEU A 47 -15.217 6.956 7.816 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.849 5.766 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.430 5.155 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.330 5.951 5.178 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.166 4.298 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.843 2.081 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.610 3.243 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.254 2.812 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.565 2.866 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.024 3.648 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.855 4.596 3.305 1.00 0.00 H new ATOM 789 N GLU A 48 -14.037 8.367 5.160 1.00 0.00 N ATOM 790 CA GLU A 48 -13.685 9.400 4.200 1.00 0.00 C ATOM 791 C GLU A 48 -12.271 9.918 4.473 1.00 0.00 C ATOM 792 O GLU A 48 -11.453 10.011 3.559 1.00 0.00 O ATOM 793 CB GLU A 48 -14.702 10.543 4.227 1.00 0.00 C ATOM 794 CG GLU A 48 -14.914 11.055 5.652 1.00 0.00 C ATOM 795 CD GLU A 48 -16.255 11.781 5.781 1.00 0.00 C ATOM 796 OE1 GLU A 48 -17.282 11.071 5.830 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.222 13.030 5.826 1.00 0.00 O ATOM 0 H GLU A 48 -14.971 8.457 5.560 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.705 8.963 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.355 11.358 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.651 10.200 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.880 10.219 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.103 11.731 5.924 1.00 0.00 H new ATOM 804 N LEU A 49 -12.027 10.241 5.735 1.00 0.00 N ATOM 805 CA LEU A 49 -10.727 10.748 6.139 1.00 0.00 C ATOM 806 C LEU A 49 -9.691 9.627 6.027 1.00 0.00 C ATOM 807 O LEU A 49 -8.506 9.890 5.827 1.00 0.00 O ATOM 808 CB LEU A 49 -10.806 11.375 7.532 1.00 0.00 C ATOM 809 CG LEU A 49 -11.739 12.579 7.674 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.522 13.287 9.013 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.586 13.534 6.489 1.00 0.00 C ATOM 0 H LEU A 49 -12.708 10.161 6.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.406 11.548 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.126 10.607 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.803 11.681 7.828 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.767 12.217 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.198 14.139 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.722 12.592 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.491 13.635 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.260 14.381 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.558 13.893 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.831 13.010 5.565 1.00 0.00 H new ATOM 823 N LEU A 50 -10.175 8.401 6.162 1.00 0.00 N ATOM 824 CA LEU A 50 -9.306 7.240 6.078 1.00 0.00 C ATOM 825 C LEU A 50 -9.083 6.880 4.608 1.00 0.00 C ATOM 826 O LEU A 50 -10.014 6.924 3.806 1.00 0.00 O ATOM 827 CB LEU A 50 -9.869 6.088 6.914 1.00 0.00 C ATOM 828 CG LEU A 50 -8.875 5.381 7.837 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.120 5.758 9.299 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.908 3.867 7.622 1.00 0.00 C ATOM 0 H LEU A 50 -11.158 8.187 6.329 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.328 7.465 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.688 6.473 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.295 5.348 6.236 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.871 5.720 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.400 5.242 9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.005 6.835 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.130 5.466 9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.192 3.389 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.909 3.491 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.646 3.641 6.588 1.00 0.00 H new ATOM 842 N VAL A 51 -7.842 6.533 4.299 1.00 0.00 N ATOM 843 CA VAL A 51 -7.484 6.166 2.939 1.00 0.00 C ATOM 844 C VAL A 51 -6.533 4.968 2.972 1.00 0.00 C ATOM 845 O VAL A 51 -5.893 4.707 3.990 1.00 0.00 O ATOM 846 CB VAL A 51 -6.897 7.375 2.208 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.003 7.204 0.692 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.571 8.671 2.663 1.00 0.00 C ATOM 0 H VAL A 51 -7.072 6.498 4.967 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.369 5.863 2.380 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.839 7.440 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.579 8.077 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.455 6.312 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.051 7.100 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.135 9.515 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.639 8.619 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.420 8.803 3.734 1.00 0.00 H new ATOM 858 N ILE A 52 -6.471 4.271 1.847 1.00 0.00 N ATOM 859 CA ILE A 52 -5.610 3.106 1.735 1.00 0.00 C ATOM 860 C ILE A 52 -4.610 3.325 0.597 1.00 0.00 C ATOM 861 O ILE A 52 -5.004 3.605 -0.535 1.00 0.00 O ATOM 862 CB ILE A 52 -6.446 1.834 1.583 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.555 1.778 2.635 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.559 0.588 1.619 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.048 1.149 3.934 1.00 0.00 C ATOM 0 H ILE A 52 -7.003 4.491 1.005 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.031 2.971 2.648 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.929 1.858 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.924 2.784 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.396 1.201 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.178 -0.302 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.837 0.631 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.029 0.546 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.856 1.122 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.703 0.134 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.223 1.743 4.328 1.00 0.00 H new ATOM 877 N GLN A 53 -3.337 3.189 0.936 1.00 0.00 N ATOM 878 CA GLN A 53 -2.278 3.368 -0.043 1.00 0.00 C ATOM 879 C GLN A 53 -2.315 2.240 -1.076 1.00 0.00 C ATOM 880 O GLN A 53 -2.569 2.482 -2.255 1.00 0.00 O ATOM 881 CB GLN A 53 -0.910 3.444 0.637 1.00 0.00 C ATOM 882 CG GLN A 53 0.199 3.686 -0.388 1.00 0.00 C ATOM 883 CD GLN A 53 1.441 4.284 0.277 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.687 5.477 0.233 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.207 3.389 0.895 1.00 0.00 N ATOM 0 H GLN A 53 -3.014 2.957 1.875 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.443 4.313 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.910 4.247 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.716 2.517 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.460 2.746 -0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.161 4.359 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.943 2.404 0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.059 3.688 1.370 1.00 0.00 H new ATOM 894 N ARG A 54 -2.057 1.033 -0.597 1.00 0.00 N ATOM 895 CA ARG A 54 -2.057 -0.133 -1.464 1.00 0.00 C ATOM 896 C ARG A 54 -1.962 -1.414 -0.633 1.00 0.00 C ATOM 897 O ARG A 54 -1.037 -1.574 0.163 1.00 0.00 O ATOM 898 CB ARG A 54 -0.888 -0.086 -2.450 1.00 0.00 C ATOM 899 CG ARG A 54 -1.240 -0.807 -3.753 1.00 0.00 C ATOM 900 CD ARG A 54 -0.116 -0.663 -4.781 1.00 0.00 C ATOM 901 NE ARG A 54 0.611 -1.944 -4.919 1.00 0.00 N ATOM 902 CZ ARG A 54 1.681 -2.119 -5.706 1.00 0.00 C ATOM 903 NH1 ARG A 54 2.156 -1.096 -6.430 1.00 0.00 N ATOM 904 NH2 ARG A 54 2.278 -3.318 -5.769 1.00 0.00 N ATOM 0 H ARG A 54 -1.846 0.837 0.381 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.992 -0.128 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.629 0.951 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.009 -0.549 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.420 -1.863 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.165 -0.398 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.529 -0.364 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.572 0.124 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 54 0.277 -2.744 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.703 -0.183 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.971 -1.230 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.917 -4.097 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.093 -3.451 -6.368 1.00 0.00 H new ATOM 918 N ILE A 55 -2.930 -2.293 -0.845 1.00 0.00 N ATOM 919 CA ILE A 55 -2.967 -3.554 -0.125 1.00 0.00 C ATOM 920 C ILE A 55 -2.218 -4.618 -0.930 1.00 0.00 C ATOM 921 O ILE A 55 -2.341 -4.678 -2.152 1.00 0.00 O ATOM 922 CB ILE A 55 -4.410 -3.938 0.208 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.982 -3.030 1.299 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.511 -5.418 0.585 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.414 -3.435 1.655 1.00 0.00 C ATOM 0 H ILE A 55 -3.695 -2.157 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.457 -3.461 0.834 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.017 -3.790 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.354 -3.084 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.967 -1.994 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.547 -5.664 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.171 -6.030 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.887 -5.615 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.796 -2.774 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.045 -3.357 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.422 -4.463 2.017 1.00 0.00 H new ATOM 937 N LYS A 56 -1.457 -5.431 -0.211 1.00 0.00 N ATOM 938 CA LYS A 56 -0.688 -6.489 -0.843 1.00 0.00 C ATOM 939 C LYS A 56 -1.041 -7.828 -0.193 1.00 0.00 C ATOM 940 O LYS A 56 -0.825 -8.018 1.003 1.00 0.00 O ATOM 941 CB LYS A 56 0.806 -6.162 -0.804 1.00 0.00 C ATOM 942 CG LYS A 56 1.634 -7.309 -1.385 1.00 0.00 C ATOM 943 CD LYS A 56 2.657 -6.789 -2.397 1.00 0.00 C ATOM 944 CE LYS A 56 2.289 -7.219 -3.819 1.00 0.00 C ATOM 945 NZ LYS A 56 3.331 -8.111 -4.377 1.00 0.00 N ATOM 0 H LYS A 56 -1.357 -5.378 0.803 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.946 -6.569 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.997 -5.249 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.113 -5.971 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.148 -7.835 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.974 -8.030 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.706 -5.701 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.648 -7.166 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.328 -7.733 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.177 -6.340 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.066 -8.393 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.241 -7.609 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.419 -8.958 -3.780 1.00 0.00 H new ATOM 959 N THR A 57 -1.579 -8.722 -1.010 1.00 0.00 N ATOM 960 CA THR A 57 -1.964 -10.038 -0.529 1.00 0.00 C ATOM 961 C THR A 57 -0.846 -11.050 -0.789 1.00 0.00 C ATOM 962 O THR A 57 -0.232 -11.042 -1.855 1.00 0.00 O ATOM 963 CB THR A 57 -3.290 -10.415 -1.194 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.112 -9.266 -1.004 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.025 -11.528 -0.444 1.00 0.00 C ATOM 0 H THR A 57 -1.757 -8.561 -2.001 1.00 0.00 H new ATOM 0 HA THR A 57 -2.113 -10.036 0.551 1.00 0.00 H new ATOM 0 HB THR A 57 -3.105 -10.730 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.436 -9.245 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.959 -11.757 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.400 -12.420 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.241 -11.200 0.573 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.703 -13.599 3.897 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.573 -12.352 4.630 1.00 0.00 C ATOM 1052 C GLU A 63 -2.355 -11.187 3.663 1.00 0.00 C ATOM 1053 O GLU A 63 -1.645 -11.326 2.668 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.439 -12.434 5.654 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.997 -11.037 6.097 1.00 0.00 C ATOM 1056 CD GLU A 63 0.061 -10.470 5.148 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.160 -11.063 5.105 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.254 -9.456 4.487 1.00 0.00 O ATOM 0 HA GLU A 63 -3.500 -12.176 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.768 -13.007 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.592 -12.967 5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.859 -10.371 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.596 -11.083 7.109 1.00 0.00 H new ATOM 1065 N SER A 64 -2.978 -10.064 3.988 1.00 0.00 N ATOM 1066 CA SER A 64 -2.861 -8.876 3.160 1.00 0.00 C ATOM 1067 C SER A 64 -2.411 -7.687 4.011 1.00 0.00 C ATOM 1068 O SER A 64 -2.935 -7.467 5.103 1.00 0.00 O ATOM 1069 CB SER A 64 -4.185 -8.558 2.462 1.00 0.00 C ATOM 1070 OG SER A 64 -4.584 -9.599 1.575 1.00 0.00 O ATOM 0 H SER A 64 -3.566 -9.952 4.814 1.00 0.00 H new ATOM 0 HA SER A 64 -2.113 -9.068 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.961 -8.402 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.087 -7.626 1.906 1.00 0.00 H new ATOM 0 HG SER A 64 -4.988 -10.329 2.088 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.446 -6.951 3.480 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.920 -5.790 4.178 1.00 0.00 C ATOM 1078 C LYS A 65 -1.119 -4.546 3.310 1.00 0.00 C ATOM 1079 O LYS A 65 -0.961 -4.603 2.092 1.00 0.00 O ATOM 1080 CB LYS A 65 0.535 -6.026 4.590 1.00 0.00 C ATOM 1081 CG LYS A 65 1.494 -5.639 3.463 1.00 0.00 C ATOM 1082 CD LYS A 65 2.950 -5.740 3.922 1.00 0.00 C ATOM 1083 CE LYS A 65 3.407 -7.199 3.977 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.999 -7.606 2.683 1.00 0.00 N ATOM 0 H LYS A 65 -1.014 -7.136 2.574 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.467 -5.623 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.763 -5.443 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.678 -7.075 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.334 -6.291 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.283 -4.622 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.590 -5.180 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.057 -5.284 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.139 -7.327 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.560 -7.843 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.304 -8.599 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.290 -7.502 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.820 -7.003 2.472 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.462 -3.451 3.972 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.684 -2.194 3.277 1.00 0.00 C ATOM 1100 C GLY A 66 -1.607 -1.011 4.243 1.00 0.00 C ATOM 1101 O GLY A 66 -2.127 -1.079 5.356 1.00 0.00 O ATOM 0 H GLY A 66 -1.592 -3.408 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.940 -2.074 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.661 -2.210 2.793 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.953 0.046 3.784 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.801 1.242 4.594 1.00 0.00 C ATOM 1107 C TYR A 67 -1.970 2.204 4.376 1.00 0.00 C ATOM 1108 O TYR A 67 -2.242 2.611 3.248 1.00 0.00 O ATOM 1109 CB TYR A 67 0.490 1.912 4.118 1.00 0.00 C ATOM 1110 CG TYR A 67 1.759 1.338 4.752 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.043 -0.008 4.630 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.620 2.165 5.444 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.237 -0.548 5.226 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.814 1.624 6.040 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.064 0.294 5.902 1.00 0.00 C ATOM 1116 OH TYR A 67 5.192 -0.216 6.465 1.00 0.00 O ATOM 0 H TYR A 67 -0.522 0.099 2.861 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.774 0.987 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.561 1.813 3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.436 2.978 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.370 -0.655 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.398 3.218 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.471 -1.599 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.496 2.260 6.585 1.00 0.00 H new ATOM 0 HH TYR A 67 5.196 -0.019 7.425 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.631 2.540 5.475 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.765 3.446 5.418 1.00 0.00 C ATOM 1128 C ALA A 68 -3.313 4.848 5.833 1.00 0.00 C ATOM 1129 O ALA A 68 -2.340 4.998 6.570 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.891 2.911 6.305 1.00 0.00 C ATOM 0 H ALA A 68 -2.402 2.201 6.409 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.153 3.511 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.742 3.591 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.195 1.926 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.539 2.835 7.334 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.042 5.840 5.342 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.728 7.224 5.652 1.00 0.00 C ATOM 1138 C LYS A 69 -4.923 7.867 6.359 1.00 0.00 C ATOM 1139 O LYS A 69 -5.983 8.041 5.759 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.286 7.969 4.391 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.931 7.455 3.898 1.00 0.00 C ATOM 1142 CD LYS A 69 -2.007 7.033 2.429 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.538 8.161 1.509 1.00 0.00 C ATOM 1144 NZ LYS A 69 -0.604 7.641 0.486 1.00 0.00 N ATOM 0 H LYS A 69 -4.849 5.712 4.732 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.883 7.278 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.034 7.842 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.220 9.037 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.177 8.233 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.615 6.608 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.391 6.148 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.031 6.757 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.397 8.623 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.048 8.937 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.091 8.433 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.075 6.993 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.139 7.131 -0.245 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.712 8.203 7.623 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.759 8.823 8.417 1.00 0.00 C ATOM 1160 C LEU A 70 -5.520 10.333 8.478 1.00 0.00 C ATOM 1161 O LEU A 70 -4.441 10.779 8.865 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.853 8.159 9.792 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.685 8.901 10.840 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.069 9.254 10.292 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.771 8.099 12.140 1.00 0.00 C ATOM 0 H LEU A 70 -3.831 8.058 8.117 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.732 8.672 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.273 7.161 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.843 8.032 10.182 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.182 9.840 11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.640 9.781 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.961 9.893 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.594 8.340 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.368 8.649 12.868 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.238 7.134 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.768 7.942 12.538 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.545 11.078 8.091 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.460 12.529 8.097 1.00 0.00 C ATOM 1179 C TYR A 71 -7.321 13.124 9.213 1.00 0.00 C ATOM 1180 O TYR A 71 -8.253 12.481 9.693 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.009 12.989 6.745 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.066 12.727 5.569 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.802 11.432 5.171 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.480 13.786 4.906 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.915 11.186 4.064 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.593 13.539 3.799 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.354 12.251 3.432 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.516 12.019 2.387 1.00 0.00 O ATOM 0 H TYR A 71 -7.439 10.704 7.771 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.432 12.853 8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.956 12.483 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.223 14.057 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.261 10.603 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.687 14.799 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.700 10.178 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.128 14.358 3.271 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.191 12.873 2.032 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.977 14.346 9.594 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.707 15.035 10.645 1.00 0.00 C ATOM 1200 C GLU A 72 -8.913 15.771 10.058 1.00 0.00 C ATOM 1201 O GLU A 72 -9.887 16.034 10.762 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.794 15.998 11.405 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.038 15.272 12.520 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.434 16.269 13.512 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.227 16.864 14.273 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -4.193 16.412 13.487 1.00 0.00 O ATOM 0 H GLU A 72 -6.203 14.876 9.194 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.070 14.293 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.083 16.452 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.387 16.808 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.715 14.597 13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.247 14.658 12.088 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.810 16.082 8.774 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.880 16.782 8.085 1.00 0.00 C ATOM 1215 C ASP A 73 -9.902 16.352 6.617 1.00 0.00 C ATOM 1216 O ASP A 73 -8.905 15.853 6.097 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.667 18.296 8.131 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.369 19.013 9.286 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.606 18.862 9.380 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.653 19.697 10.049 1.00 0.00 O ATOM 0 H ASP A 73 -8.001 15.862 8.193 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.819 16.535 8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.597 18.495 8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.015 18.725 7.192 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.050 16.562 5.989 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.215 16.202 4.591 1.00 0.00 C ATOM 1227 C ALA A 74 -10.654 17.321 3.712 1.00 0.00 C ATOM 1228 O ALA A 74 -10.040 17.056 2.679 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.692 15.923 4.307 1.00 0.00 C ATOM 0 H ALA A 74 -11.875 16.977 6.423 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.661 15.292 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.816 15.653 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.035 15.102 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.279 16.815 4.524 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.884 18.549 4.153 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.409 19.710 3.419 1.00 0.00 C ATOM 1237 C ASP A 75 -8.918 19.544 3.121 1.00 0.00 C ATOM 1238 O ASP A 75 -8.473 19.792 2.001 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.589 20.990 4.236 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.316 22.124 3.510 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.298 22.101 2.261 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.873 22.988 4.222 1.00 0.00 O ATOM 0 H ASP A 75 -11.393 18.765 5.010 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.987 19.787 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.140 20.748 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.607 21.347 4.545 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.186 19.126 4.143 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.754 18.924 4.006 1.00 0.00 C ATOM 1249 C ARG A 76 -6.469 17.810 2.997 1.00 0.00 C ATOM 1250 O ARG A 76 -5.627 17.967 2.114 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.117 18.562 5.349 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.187 19.676 5.834 1.00 0.00 C ATOM 1253 CD ARG A 76 -4.023 19.880 4.863 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.968 20.697 5.503 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.687 20.713 5.109 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.295 19.956 4.075 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.798 21.485 5.749 1.00 0.00 N ATOM 0 H ARG A 76 -8.558 18.922 5.070 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.320 19.859 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.897 18.387 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.556 17.633 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.748 20.605 5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.801 19.428 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.615 18.915 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.376 20.372 3.957 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.232 21.285 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.971 19.368 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.320 19.968 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.096 22.061 6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.177 21.497 5.449 1.00 0.00 H new ATOM 1271 N MET A 77 -7.187 16.708 3.162 1.00 0.00 N ATOM 1272 CA MET A 77 -7.022 15.568 2.276 1.00 0.00 C ATOM 1273 C MET A 77 -7.118 15.994 0.810 1.00 0.00 C ATOM 1274 O MET A 77 -6.407 15.463 -0.042 1.00 0.00 O ATOM 1275 CB MET A 77 -8.103 14.528 2.577 1.00 0.00 C ATOM 1276 CG MET A 77 -8.127 13.437 1.504 1.00 0.00 C ATOM 1277 SD MET A 77 -8.893 11.960 2.153 1.00 0.00 S ATOM 1278 CE MET A 77 -10.613 12.422 2.027 1.00 0.00 C ATOM 0 H MET A 77 -7.884 16.581 3.896 1.00 0.00 H new ATOM 0 HA MET A 77 -6.034 15.139 2.446 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.919 14.079 3.553 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.077 15.015 2.628 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.676 13.787 0.630 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.111 13.216 1.176 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.045 12.491 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.695 13.388 1.528 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.151 11.669 1.450 1.00 0.00 H new