USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 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 28 ASN : amide:sc= 0.0181 X(o=-0.33,f=-0.4) USER MOD Set 1.2: A 48 MET CE :methyl 174:sc= -0.0224 (180deg=-0.032) USER MOD Set 1.3: A 58 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.8) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -165:sc= 1.45 (180deg=0.385) USER MOD Set 2.2: A 55 SER OG : rot -15:sc= 0.504 USER MOD Set 3.1: A 18 THR OG1 : rot 160:sc= 0 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0806 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.0022 USER MOD Single : A 4 MET CE :methyl -175:sc= 0 (180deg=-0.00898) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00205 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0598) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 MET CE :methyl 170:sc= -0.0298 (180deg=-0.333) USER MOD Single : A 32 GLN : amide:sc= 0.0164 K(o=0.016,f=-1.1) USER MOD Single : A 37 MET CE :methyl -168:sc= -0.276 (180deg=-0.854) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.892 (180deg=0.859) USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= 0.902 (180deg=-1.05) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 12:sc= 0.104 USER MOD Single : A 59 TYR OH : rot -10:sc= 0.361 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0064) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.42) USER MOD Single : A 74 LYS NZ :NH3+ -146:sc= 0.585 (180deg=0.0641) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.138 X(o=0.14,f=-0.049) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.29) USER MOD Single : A 103 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.607) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.250 8.202 -20.983 1.00 0.00 N ATOM 2 CA GLY A 1 17.536 8.849 -19.860 1.00 0.00 C ATOM 3 C GLY A 1 18.456 9.762 -19.063 1.00 0.00 C ATOM 4 O GLY A 1 19.542 10.117 -19.526 1.00 0.00 O ATOM 0 H1 GLY A 1 17.731 8.371 -21.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.207 8.601 -21.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.315 7.179 -20.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.696 9.426 -20.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.122 8.084 -19.202 1.00 0.00 H new ATOM 10 N SER A 2 18.024 10.171 -17.866 1.00 0.00 N ATOM 11 CA SER A 2 18.708 11.139 -16.988 1.00 0.00 C ATOM 12 C SER A 2 18.869 10.605 -15.557 1.00 0.00 C ATOM 13 O SER A 2 17.906 10.163 -14.922 1.00 0.00 O ATOM 14 CB SER A 2 17.972 12.490 -17.004 1.00 0.00 C ATOM 15 OG SER A 2 16.582 12.349 -16.738 1.00 0.00 O ATOM 0 H SER A 2 17.154 9.826 -17.462 1.00 0.00 H new ATOM 0 HA SER A 2 19.714 11.290 -17.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.417 13.153 -16.261 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.108 12.964 -17.976 1.00 0.00 H new ATOM 0 HG SER A 2 16.446 11.641 -16.074 1.00 0.00 H new ATOM 21 N ALA A 3 20.107 10.615 -15.048 1.00 0.00 N ATOM 22 CA ALA A 3 20.450 10.150 -13.700 1.00 0.00 C ATOM 23 C ALA A 3 19.900 11.079 -12.597 1.00 0.00 C ATOM 24 O ALA A 3 19.263 10.619 -11.646 1.00 0.00 O ATOM 25 CB ALA A 3 21.977 10.015 -13.611 1.00 0.00 C ATOM 0 H ALA A 3 20.914 10.953 -15.573 1.00 0.00 H new ATOM 0 HA ALA A 3 19.979 9.182 -13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 3 22.254 9.670 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.323 9.296 -14.354 1.00 0.00 H new ATOM 0 HB3 ALA A 3 22.440 10.983 -13.801 1.00 0.00 H new ATOM 31 N MET A 4 20.142 12.390 -12.723 1.00 0.00 N ATOM 32 CA MET A 4 19.664 13.427 -11.801 1.00 0.00 C ATOM 33 C MET A 4 18.225 13.839 -12.160 1.00 0.00 C ATOM 34 O MET A 4 17.988 14.475 -13.190 1.00 0.00 O ATOM 35 CB MET A 4 20.653 14.609 -11.806 1.00 0.00 C ATOM 36 CG MET A 4 20.528 15.490 -10.556 1.00 0.00 C ATOM 37 SD MET A 4 19.072 16.572 -10.474 1.00 0.00 S ATOM 38 CE MET A 4 19.887 18.186 -10.635 1.00 0.00 C ATOM 0 H MET A 4 20.693 12.769 -13.493 1.00 0.00 H new ATOM 0 HA MET A 4 19.626 13.041 -10.782 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.671 14.226 -11.875 1.00 0.00 H new ATOM 0 HB3 MET A 4 20.481 15.218 -12.694 1.00 0.00 H new ATOM 0 HG2 MET A 4 20.522 14.841 -9.680 1.00 0.00 H new ATOM 0 HG3 MET A 4 21.420 16.112 -10.486 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.149 18.980 -10.516 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.654 18.285 -9.866 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.348 18.264 -11.620 1.00 0.00 H new ATOM 48 N ALA A 5 17.262 13.431 -11.327 1.00 0.00 N ATOM 49 CA ALA A 5 15.818 13.639 -11.516 1.00 0.00 C ATOM 50 C ALA A 5 15.129 14.304 -10.299 1.00 0.00 C ATOM 51 O ALA A 5 13.902 14.411 -10.247 1.00 0.00 O ATOM 52 CB ALA A 5 15.190 12.289 -11.889 1.00 0.00 C ATOM 0 H ALA A 5 17.473 12.926 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 5 15.664 14.352 -12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.117 12.415 -12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.641 11.920 -12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.365 11.572 -11.087 1.00 0.00 H new ATOM 58 N ASP A 6 15.906 14.756 -9.312 1.00 0.00 N ATOM 59 CA ASP A 6 15.467 15.365 -8.052 1.00 0.00 C ATOM 60 C ASP A 6 15.555 16.906 -8.091 1.00 0.00 C ATOM 61 O ASP A 6 16.369 17.529 -7.406 1.00 0.00 O ATOM 62 CB ASP A 6 16.213 14.709 -6.871 1.00 0.00 C ATOM 63 CG ASP A 6 17.753 14.748 -6.973 1.00 0.00 C ATOM 64 OD1 ASP A 6 18.313 14.122 -7.907 1.00 0.00 O ATOM 65 OD2 ASP A 6 18.414 15.331 -6.078 1.00 0.00 O ATOM 0 H ASP A 6 16.923 14.704 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 6 14.406 15.166 -7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 6 15.912 15.206 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 6 15.895 13.670 -6.792 1.00 0.00 H new ATOM 70 N ILE A 7 14.678 17.524 -8.896 1.00 0.00 N ATOM 71 CA ILE A 7 14.527 18.987 -9.059 1.00 0.00 C ATOM 72 C ILE A 7 13.173 19.540 -8.562 1.00 0.00 C ATOM 73 O ILE A 7 12.942 20.749 -8.618 1.00 0.00 O ATOM 74 CB ILE A 7 14.839 19.448 -10.508 1.00 0.00 C ATOM 75 CG1 ILE A 7 13.891 18.903 -11.607 1.00 0.00 C ATOM 76 CG2 ILE A 7 16.319 19.214 -10.846 1.00 0.00 C ATOM 77 CD1 ILE A 7 14.184 17.500 -12.158 1.00 0.00 C ATOM 0 H ILE A 7 14.024 17.000 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 7 15.279 19.424 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 7 14.637 20.519 -10.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.877 18.904 -11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.905 19.603 -12.442 1.00 0.00 H new ATOM 0 HG21 ILE A 7 16.516 19.544 -11.866 1.00 0.00 H new ATOM 0 HG22 ILE A 7 16.944 19.779 -10.155 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.549 18.152 -10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.445 17.246 -12.918 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.180 17.484 -12.601 1.00 0.00 H new ATOM 0 HD13 ILE A 7 14.135 16.773 -11.347 1.00 0.00 H new ATOM 89 N GLY A 8 12.279 18.678 -8.058 1.00 0.00 N ATOM 90 CA GLY A 8 10.959 19.042 -7.523 1.00 0.00 C ATOM 91 C GLY A 8 10.987 19.338 -6.018 1.00 0.00 C ATOM 92 O GLY A 8 10.764 20.476 -5.596 1.00 0.00 O ATOM 0 H GLY A 8 12.460 17.675 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.586 19.918 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.258 18.230 -7.716 1.00 0.00 H new ATOM 96 N SER A 9 11.268 18.314 -5.207 1.00 0.00 N ATOM 97 CA SER A 9 11.412 18.386 -3.741 1.00 0.00 C ATOM 98 C SER A 9 12.486 17.410 -3.224 1.00 0.00 C ATOM 99 O SER A 9 13.026 16.599 -3.982 1.00 0.00 O ATOM 100 CB SER A 9 10.057 18.100 -3.076 1.00 0.00 C ATOM 101 OG SER A 9 10.065 18.507 -1.713 1.00 0.00 O ATOM 0 H SER A 9 11.408 17.369 -5.565 1.00 0.00 H new ATOM 0 HA SER A 9 11.739 19.392 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.266 18.625 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.833 17.035 -3.141 1.00 0.00 H new ATOM 0 HG SER A 9 9.192 18.317 -1.310 1.00 0.00 H new ATOM 107 N GLU A 10 12.795 17.480 -1.927 1.00 0.00 N ATOM 108 CA GLU A 10 13.783 16.635 -1.231 1.00 0.00 C ATOM 109 C GLU A 10 13.329 16.110 0.149 1.00 0.00 C ATOM 110 O GLU A 10 14.010 15.258 0.730 1.00 0.00 O ATOM 111 CB GLU A 10 15.120 17.392 -1.120 1.00 0.00 C ATOM 112 CG GLU A 10 15.050 18.647 -0.235 1.00 0.00 C ATOM 113 CD GLU A 10 16.430 19.322 -0.128 1.00 0.00 C ATOM 114 OE1 GLU A 10 16.767 20.173 -0.990 1.00 0.00 O ATOM 115 OE2 GLU A 10 17.190 19.018 0.824 1.00 0.00 O ATOM 0 H GLU A 10 12.349 18.152 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 10 13.902 15.739 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.877 16.718 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.448 17.681 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.328 19.350 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.695 18.376 0.759 1.00 0.00 H new ATOM 122 N PHE A 11 12.202 16.593 0.688 1.00 0.00 N ATOM 123 CA PHE A 11 11.659 16.186 1.990 1.00 0.00 C ATOM 124 C PHE A 11 10.124 16.260 2.003 1.00 0.00 C ATOM 125 O PHE A 11 9.531 17.337 2.104 1.00 0.00 O ATOM 126 CB PHE A 11 12.279 17.032 3.115 1.00 0.00 C ATOM 127 CG PHE A 11 11.907 16.536 4.501 1.00 0.00 C ATOM 128 CD1 PHE A 11 12.568 15.417 5.043 1.00 0.00 C ATOM 129 CD2 PHE A 11 10.883 17.165 5.236 1.00 0.00 C ATOM 130 CE1 PHE A 11 12.211 14.931 6.313 1.00 0.00 C ATOM 131 CE2 PHE A 11 10.527 16.678 6.508 1.00 0.00 C ATOM 132 CZ PHE A 11 11.190 15.561 7.046 1.00 0.00 C ATOM 0 H PHE A 11 11.629 17.295 0.219 1.00 0.00 H new ATOM 0 HA PHE A 11 11.928 15.144 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.364 17.026 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.954 18.067 3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.352 14.931 4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.371 18.022 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.721 14.073 6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.744 17.163 7.071 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.915 15.187 8.021 1.00 0.00 H new ATOM 142 N GLU A 12 9.468 15.108 1.866 1.00 0.00 N ATOM 143 CA GLU A 12 8.007 14.982 1.884 1.00 0.00 C ATOM 144 C GLU A 12 7.456 15.116 3.317 1.00 0.00 C ATOM 145 O GLU A 12 7.757 14.298 4.195 1.00 0.00 O ATOM 146 CB GLU A 12 7.569 13.647 1.255 1.00 0.00 C ATOM 147 CG GLU A 12 7.873 13.549 -0.252 1.00 0.00 C ATOM 148 CD GLU A 12 9.374 13.393 -0.586 1.00 0.00 C ATOM 149 OE1 GLU A 12 10.060 12.536 0.023 1.00 0.00 O ATOM 150 OE2 GLU A 12 9.877 14.123 -1.473 1.00 0.00 O ATOM 0 H GLU A 12 9.946 14.216 1.737 1.00 0.00 H new ATOM 0 HA GLU A 12 7.592 15.795 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.070 12.829 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.498 13.515 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.330 12.700 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.493 14.443 -0.747 1.00 0.00 H new ATOM 157 N LYS A 13 6.651 16.158 3.564 1.00 0.00 N ATOM 158 CA LYS A 13 5.874 16.333 4.806 1.00 0.00 C ATOM 159 C LYS A 13 4.782 15.257 4.975 1.00 0.00 C ATOM 160 O LYS A 13 4.512 14.467 4.067 1.00 0.00 O ATOM 161 CB LYS A 13 5.307 17.766 4.867 1.00 0.00 C ATOM 162 CG LYS A 13 4.163 18.021 3.870 1.00 0.00 C ATOM 163 CD LYS A 13 3.625 19.455 3.986 1.00 0.00 C ATOM 164 CE LYS A 13 2.316 19.629 3.203 1.00 0.00 C ATOM 165 NZ LYS A 13 1.172 18.948 3.872 1.00 0.00 N ATOM 0 H LYS A 13 6.517 16.918 2.897 1.00 0.00 H new ATOM 0 HA LYS A 13 6.546 16.195 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.947 17.962 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.112 18.474 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.518 17.845 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.355 17.312 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.458 19.698 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.371 20.156 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.095 20.691 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.439 19.228 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.285 19.214 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.300 17.917 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.132 19.236 4.870 1.00 0.00 H new ATOM 179 N THR A 14 4.119 15.248 6.130 1.00 0.00 N ATOM 180 CA THR A 14 2.971 14.373 6.435 1.00 0.00 C ATOM 181 C THR A 14 1.753 14.622 5.515 1.00 0.00 C ATOM 182 O THR A 14 1.565 15.743 5.025 1.00 0.00 O ATOM 183 CB THR A 14 2.553 14.547 7.906 1.00 0.00 C ATOM 184 OG1 THR A 14 2.570 15.909 8.285 1.00 0.00 O ATOM 185 CG2 THR A 14 3.496 13.794 8.845 1.00 0.00 C ATOM 0 H THR A 14 4.366 15.863 6.905 1.00 0.00 H new ATOM 0 HA THR A 14 3.302 13.351 6.253 1.00 0.00 H new ATOM 0 HB THR A 14 1.543 14.146 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.299 15.991 9.223 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.173 13.937 9.876 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.478 12.731 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.510 14.176 8.726 1.00 0.00 H new ATOM 193 N PRO A 15 0.888 13.608 5.289 1.00 0.00 N ATOM 194 CA PRO A 15 -0.243 13.709 4.353 1.00 0.00 C ATOM 195 C PRO A 15 -1.366 14.646 4.837 1.00 0.00 C ATOM 196 O PRO A 15 -2.056 15.258 4.019 1.00 0.00 O ATOM 197 CB PRO A 15 -0.746 12.272 4.171 1.00 0.00 C ATOM 198 CG PRO A 15 -0.345 11.573 5.469 1.00 0.00 C ATOM 199 CD PRO A 15 0.981 12.249 5.817 1.00 0.00 C ATOM 0 HA PRO A 15 0.083 14.158 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.825 12.243 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.289 11.796 3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.090 11.715 6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.228 10.498 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.143 12.259 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.821 11.714 5.373 1.00 0.00 H new ATOM 207 N SER A 16 -1.509 14.803 6.157 1.00 0.00 N ATOM 208 CA SER A 16 -2.418 15.742 6.831 1.00 0.00 C ATOM 209 C SER A 16 -1.725 16.375 8.041 1.00 0.00 C ATOM 210 O SER A 16 -0.910 15.719 8.698 1.00 0.00 O ATOM 211 CB SER A 16 -3.686 15.023 7.321 1.00 0.00 C ATOM 212 OG SER A 16 -4.403 14.436 6.245 1.00 0.00 O ATOM 0 H SER A 16 -0.966 14.251 6.821 1.00 0.00 H new ATOM 0 HA SER A 16 -2.691 16.511 6.109 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.412 14.251 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.328 15.732 7.843 1.00 0.00 H new ATOM 0 HG SER A 16 -5.202 13.986 6.591 1.00 0.00 H new ATOM 218 N LEU A 17 -2.083 17.622 8.362 1.00 0.00 N ATOM 219 CA LEU A 17 -1.600 18.372 9.532 1.00 0.00 C ATOM 220 C LEU A 17 -2.635 18.311 10.671 1.00 0.00 C ATOM 221 O LEU A 17 -2.335 17.837 11.767 1.00 0.00 O ATOM 222 CB LEU A 17 -1.245 19.800 9.063 1.00 0.00 C ATOM 223 CG LEU A 17 -0.457 20.664 10.071 1.00 0.00 C ATOM 224 CD1 LEU A 17 0.217 21.823 9.329 1.00 0.00 C ATOM 225 CD2 LEU A 17 -1.333 21.280 11.166 1.00 0.00 C ATOM 0 H LEU A 17 -2.740 18.159 7.796 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.696 17.932 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.663 19.726 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.170 20.320 8.813 1.00 0.00 H new ATOM 0 HG LEU A 17 0.262 19.994 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.774 22.435 10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.900 21.426 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.543 22.434 8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.712 21.873 11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.089 21.920 10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.822 20.486 11.730 1.00 0.00 H new ATOM 237 N THR A 18 -3.863 18.762 10.401 1.00 0.00 N ATOM 238 CA THR A 18 -5.004 18.794 11.334 1.00 0.00 C ATOM 239 C THR A 18 -5.442 17.387 11.767 1.00 0.00 C ATOM 240 O THR A 18 -5.671 16.509 10.930 1.00 0.00 O ATOM 241 CB THR A 18 -6.189 19.534 10.688 1.00 0.00 C ATOM 242 OG1 THR A 18 -5.732 20.782 10.208 1.00 0.00 O ATOM 243 CG2 THR A 18 -7.332 19.808 11.667 1.00 0.00 C ATOM 0 H THR A 18 -4.105 19.134 9.483 1.00 0.00 H new ATOM 0 HA THR A 18 -4.678 19.324 12.229 1.00 0.00 H new ATOM 0 HB THR A 18 -6.571 18.892 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.355 21.121 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.136 20.332 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.708 18.864 12.061 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.967 20.424 12.489 1.00 0.00 H new ATOM 251 N ARG A 19 -5.573 17.170 13.082 1.00 0.00 N ATOM 252 CA ARG A 19 -6.053 15.914 13.696 1.00 0.00 C ATOM 253 C ARG A 19 -7.585 15.819 13.659 1.00 0.00 C ATOM 254 O ARG A 19 -8.282 16.817 13.860 1.00 0.00 O ATOM 255 CB ARG A 19 -5.530 15.823 15.143 1.00 0.00 C ATOM 256 CG ARG A 19 -4.010 15.604 15.170 1.00 0.00 C ATOM 257 CD ARG A 19 -3.429 15.701 16.586 1.00 0.00 C ATOM 258 NE ARG A 19 -1.959 15.545 16.577 1.00 0.00 N ATOM 259 CZ ARG A 19 -1.050 16.443 16.235 1.00 0.00 C ATOM 260 NH1 ARG A 19 -1.368 17.650 15.857 1.00 0.00 N ATOM 261 NH2 ARG A 19 0.218 16.144 16.262 1.00 0.00 N ATOM 0 H ARG A 19 -5.342 17.883 13.774 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.668 15.073 13.120 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.778 16.738 15.681 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.028 15.004 15.662 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.780 14.624 14.752 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.528 16.344 14.531 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.692 16.664 17.024 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.874 14.932 17.217 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.603 14.635 16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.348 17.930 15.817 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.637 18.314 15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.516 15.212 16.548 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.912 16.842 15.997 1.00 0.00 H new ATOM 275 N ARG A 20 -8.107 14.609 13.429 1.00 0.00 N ATOM 276 CA ARG A 20 -9.540 14.233 13.404 1.00 0.00 C ATOM 277 C ARG A 20 -9.734 12.826 13.983 1.00 0.00 C ATOM 278 O ARG A 20 -8.872 11.964 13.782 1.00 0.00 O ATOM 279 CB ARG A 20 -10.078 14.243 11.953 1.00 0.00 C ATOM 280 CG ARG A 20 -10.076 15.578 11.183 1.00 0.00 C ATOM 281 CD ARG A 20 -11.193 16.546 11.597 1.00 0.00 C ATOM 282 NE ARG A 20 -10.921 17.189 12.893 1.00 0.00 N ATOM 283 CZ ARG A 20 -11.772 17.811 13.684 1.00 0.00 C ATOM 284 NH1 ARG A 20 -13.037 17.927 13.392 1.00 0.00 N ATOM 285 NH2 ARG A 20 -11.354 18.329 14.802 1.00 0.00 N ATOM 0 H ARG A 20 -7.506 13.807 13.242 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.086 14.960 14.005 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.494 13.526 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.103 13.874 11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.113 16.068 11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.168 15.370 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.310 17.312 10.831 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.138 16.005 11.653 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.955 17.148 13.219 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.399 17.529 12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.665 18.416 14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.371 18.253 15.063 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.009 18.811 15.417 1.00 0.00 H new ATOM 299 N ILE A 21 -10.878 12.575 14.621 1.00 0.00 N ATOM 300 CA ILE A 21 -11.343 11.230 15.011 1.00 0.00 C ATOM 301 C ILE A 21 -11.718 10.389 13.769 1.00 0.00 C ATOM 302 O ILE A 21 -11.976 10.929 12.691 1.00 0.00 O ATOM 303 CB ILE A 21 -12.515 11.369 16.023 1.00 0.00 C ATOM 304 CG1 ILE A 21 -12.849 10.090 16.827 1.00 0.00 C ATOM 305 CG2 ILE A 21 -13.805 11.874 15.349 1.00 0.00 C ATOM 306 CD1 ILE A 21 -11.740 9.655 17.794 1.00 0.00 C ATOM 0 H ILE A 21 -11.527 13.314 14.890 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.536 10.689 15.505 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.140 12.105 16.735 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.765 10.258 17.393 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.049 9.276 16.130 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -14.597 11.956 16.094 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.624 12.852 14.903 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -14.109 11.172 14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.049 8.752 18.320 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.827 9.454 17.234 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.555 10.450 18.516 1.00 0.00 H new ATOM 318 N ASP A 22 -11.782 9.066 13.918 1.00 0.00 N ATOM 319 CA ASP A 22 -12.306 8.119 12.926 1.00 0.00 C ATOM 320 C ASP A 22 -12.944 6.905 13.629 1.00 0.00 C ATOM 321 O ASP A 22 -12.433 6.437 14.649 1.00 0.00 O ATOM 322 CB ASP A 22 -11.161 7.677 12.008 1.00 0.00 C ATOM 323 CG ASP A 22 -11.687 6.825 10.846 1.00 0.00 C ATOM 324 OD1 ASP A 22 -11.795 5.591 11.021 1.00 0.00 O ATOM 325 OD2 ASP A 22 -12.013 7.395 9.777 1.00 0.00 O ATOM 0 H ASP A 22 -11.458 8.603 14.767 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.079 8.602 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.645 8.554 11.617 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.430 7.106 12.581 1.00 0.00 H new ATOM 330 N ASP A 23 -14.053 6.377 13.106 1.00 0.00 N ATOM 331 CA ASP A 23 -14.787 5.264 13.726 1.00 0.00 C ATOM 332 C ASP A 23 -14.007 3.931 13.803 1.00 0.00 C ATOM 333 O ASP A 23 -14.296 3.111 14.681 1.00 0.00 O ATOM 334 CB ASP A 23 -16.154 5.088 13.048 1.00 0.00 C ATOM 335 CG ASP A 23 -16.059 4.722 11.557 1.00 0.00 C ATOM 336 OD1 ASP A 23 -15.994 5.651 10.713 1.00 0.00 O ATOM 337 OD2 ASP A 23 -16.089 3.515 11.221 1.00 0.00 O ATOM 0 H ASP A 23 -14.471 6.709 12.237 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.933 5.546 14.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.712 4.310 13.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.723 6.012 13.151 1.00 0.00 H new ATOM 342 N THR A 24 -12.974 3.716 12.975 1.00 0.00 N ATOM 343 CA THR A 24 -12.107 2.525 13.074 1.00 0.00 C ATOM 344 C THR A 24 -11.279 2.499 14.371 1.00 0.00 C ATOM 345 O THR A 24 -10.971 1.419 14.877 1.00 0.00 O ATOM 346 CB THR A 24 -11.199 2.377 11.835 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.984 2.263 10.663 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.308 1.130 11.868 1.00 0.00 C ATOM 0 H THR A 24 -12.715 4.355 12.223 1.00 0.00 H new ATOM 0 HA THR A 24 -12.776 1.665 13.108 1.00 0.00 H new ATOM 0 HB THR A 24 -10.572 3.268 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.397 2.171 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.699 1.094 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.659 1.170 12.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.932 0.238 11.920 1.00 0.00 H new ATOM 356 N ILE A 25 -10.978 3.661 14.966 1.00 0.00 N ATOM 357 CA ILE A 25 -10.241 3.792 16.238 1.00 0.00 C ATOM 358 C ILE A 25 -10.973 3.058 17.378 1.00 0.00 C ATOM 359 O ILE A 25 -10.355 2.321 18.152 1.00 0.00 O ATOM 360 CB ILE A 25 -10.013 5.290 16.574 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.202 5.992 15.454 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.302 5.467 17.928 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.082 7.511 15.627 1.00 0.00 C ATOM 0 H ILE A 25 -11.246 4.562 14.569 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.265 3.320 16.127 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.996 5.756 16.643 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.202 5.561 15.420 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.673 5.782 14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.160 6.529 18.128 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.910 5.027 18.718 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.332 4.971 17.897 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.501 7.926 14.804 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.077 7.957 15.630 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.583 7.731 16.571 1.00 0.00 H new ATOM 375 N PHE A 26 -12.296 3.238 17.466 1.00 0.00 N ATOM 376 CA PHE A 26 -13.142 2.616 18.491 1.00 0.00 C ATOM 377 C PHE A 26 -13.411 1.120 18.220 1.00 0.00 C ATOM 378 O PHE A 26 -13.538 0.342 19.168 1.00 0.00 O ATOM 379 CB PHE A 26 -14.461 3.410 18.624 1.00 0.00 C ATOM 380 CG PHE A 26 -14.829 3.841 20.041 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.761 2.933 21.119 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.260 5.161 20.284 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.101 3.345 22.421 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.609 5.571 21.584 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.525 4.664 22.655 1.00 0.00 C ATOM 0 H PHE A 26 -12.817 3.829 16.817 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.601 2.653 19.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.394 4.300 17.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.273 2.801 18.226 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.446 1.915 20.944 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.323 5.863 19.466 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.036 2.646 23.242 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.942 6.583 21.759 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.786 4.980 23.654 1.00 0.00 H new ATOM 395 N GLN A 27 -13.489 0.694 16.950 1.00 0.00 N ATOM 396 CA GLN A 27 -13.866 -0.686 16.587 1.00 0.00 C ATOM 397 C GLN A 27 -12.699 -1.697 16.606 1.00 0.00 C ATOM 398 O GLN A 27 -12.948 -2.904 16.638 1.00 0.00 O ATOM 399 CB GLN A 27 -14.621 -0.694 15.240 1.00 0.00 C ATOM 400 CG GLN A 27 -13.743 -0.901 13.990 1.00 0.00 C ATOM 401 CD GLN A 27 -14.478 -0.663 12.667 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.675 -0.415 12.596 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.784 -0.742 11.548 1.00 0.00 N ATOM 0 H GLN A 27 -13.294 1.292 16.147 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.534 -1.038 17.373 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.373 -1.482 15.269 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.154 0.251 15.136 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.887 -0.229 14.044 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.351 -1.918 13.998 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.785 -0.947 11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.246 -0.598 10.650 1.00 0.00 H new ATOM 412 N ASN A 28 -11.442 -1.232 16.564 1.00 0.00 N ATOM 413 CA ASN A 28 -10.260 -2.064 16.313 1.00 0.00 C ATOM 414 C ASN A 28 -9.139 -1.822 17.357 1.00 0.00 C ATOM 415 O ASN A 28 -8.417 -0.825 17.254 1.00 0.00 O ATOM 416 CB ASN A 28 -9.803 -1.811 14.864 1.00 0.00 C ATOM 417 CG ASN A 28 -8.863 -2.893 14.367 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.177 -4.073 14.378 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.691 -2.536 13.902 1.00 0.00 N ATOM 0 H ASN A 28 -11.216 -0.248 16.707 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.514 -3.118 16.428 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.675 -1.761 14.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.305 -0.843 14.805 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.045 -3.243 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.425 -1.551 13.891 1.00 0.00 H new ATOM 426 N PRO A 29 -8.955 -2.701 18.365 1.00 0.00 N ATOM 427 CA PRO A 29 -8.072 -2.439 19.513 1.00 0.00 C ATOM 428 C PRO A 29 -6.571 -2.398 19.172 1.00 0.00 C ATOM 429 O PRO A 29 -5.783 -1.830 19.932 1.00 0.00 O ATOM 430 CB PRO A 29 -8.395 -3.540 20.530 1.00 0.00 C ATOM 431 CG PRO A 29 -8.884 -4.697 19.662 1.00 0.00 C ATOM 432 CD PRO A 29 -9.622 -3.986 18.529 1.00 0.00 C ATOM 0 HA PRO A 29 -8.261 -1.439 19.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.517 -3.819 21.112 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.159 -3.220 21.239 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.056 -5.300 19.289 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.542 -5.367 20.215 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.580 -4.569 17.609 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.676 -3.851 18.773 1.00 0.00 H new ATOM 440 N MET A 30 -6.168 -2.927 18.009 1.00 0.00 N ATOM 441 CA MET A 30 -4.804 -2.809 17.469 1.00 0.00 C ATOM 442 C MET A 30 -4.371 -1.349 17.246 1.00 0.00 C ATOM 443 O MET A 30 -3.173 -1.063 17.254 1.00 0.00 O ATOM 444 CB MET A 30 -4.700 -3.565 16.136 1.00 0.00 C ATOM 445 CG MET A 30 -4.841 -5.083 16.290 1.00 0.00 C ATOM 446 SD MET A 30 -4.949 -6.010 14.729 1.00 0.00 S ATOM 447 CE MET A 30 -3.447 -5.461 13.872 1.00 0.00 C ATOM 0 H MET A 30 -6.793 -3.460 17.404 1.00 0.00 H new ATOM 0 HA MET A 30 -4.137 -3.243 18.214 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.473 -3.202 15.459 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.739 -3.341 15.673 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.988 -5.456 16.858 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.733 -5.291 16.881 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.289 -6.075 12.986 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.558 -4.418 13.576 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.591 -5.560 14.539 1.00 0.00 H new ATOM 457 N VAL A 31 -5.324 -0.421 17.076 1.00 0.00 N ATOM 458 CA VAL A 31 -5.052 1.019 16.950 1.00 0.00 C ATOM 459 C VAL A 31 -4.349 1.539 18.205 1.00 0.00 C ATOM 460 O VAL A 31 -3.203 1.969 18.122 1.00 0.00 O ATOM 461 CB VAL A 31 -6.329 1.820 16.618 1.00 0.00 C ATOM 462 CG1 VAL A 31 -6.072 3.332 16.575 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.870 1.408 15.241 1.00 0.00 C ATOM 0 H VAL A 31 -6.316 -0.651 17.021 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.377 1.166 16.106 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.045 1.599 17.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.000 3.852 16.338 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.706 3.667 17.546 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.327 3.553 15.811 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.771 1.980 15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.116 1.607 14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.108 0.344 15.247 1.00 0.00 H new ATOM 473 N GLN A 32 -4.990 1.452 19.374 1.00 0.00 N ATOM 474 CA GLN A 32 -4.472 1.974 20.650 1.00 0.00 C ATOM 475 C GLN A 32 -3.061 1.444 20.974 1.00 0.00 C ATOM 476 O GLN A 32 -2.190 2.203 21.405 1.00 0.00 O ATOM 477 CB GLN A 32 -5.459 1.634 21.785 1.00 0.00 C ATOM 478 CG GLN A 32 -6.684 2.566 21.874 1.00 0.00 C ATOM 479 CD GLN A 32 -7.552 2.598 20.616 1.00 0.00 C ATOM 480 OE1 GLN A 32 -7.379 3.434 19.745 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.502 1.703 20.452 1.00 0.00 N ATOM 0 H GLN A 32 -5.904 1.008 19.466 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.382 3.056 20.556 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.808 0.610 21.650 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.925 1.667 22.735 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.301 2.254 22.717 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.340 3.578 22.088 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.664 0.995 21.168 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.076 1.717 19.609 1.00 0.00 H new ATOM 490 N GLU A 33 -2.810 0.157 20.717 1.00 0.00 N ATOM 491 CA GLU A 33 -1.504 -0.494 20.888 1.00 0.00 C ATOM 492 C GLU A 33 -0.391 0.113 20.008 1.00 0.00 C ATOM 493 O GLU A 33 0.758 0.186 20.447 1.00 0.00 O ATOM 494 CB GLU A 33 -1.684 -1.999 20.624 1.00 0.00 C ATOM 495 CG GLU A 33 -0.411 -2.856 20.751 1.00 0.00 C ATOM 496 CD GLU A 33 0.266 -2.799 22.138 1.00 0.00 C ATOM 497 OE1 GLU A 33 -0.415 -2.547 23.163 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.493 -3.051 22.219 1.00 0.00 O ATOM 0 H GLU A 33 -3.529 -0.480 20.374 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.165 -0.325 21.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.430 -2.384 21.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.088 -2.127 19.620 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.663 -3.892 20.526 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.306 -2.532 19.997 1.00 0.00 H new ATOM 505 N ALA A 34 -0.706 0.596 18.800 1.00 0.00 N ATOM 506 CA ALA A 34 0.249 1.297 17.939 1.00 0.00 C ATOM 507 C ALA A 34 0.652 2.667 18.525 1.00 0.00 C ATOM 508 O ALA A 34 1.844 2.919 18.711 1.00 0.00 O ATOM 509 CB ALA A 34 -0.321 1.405 16.520 1.00 0.00 C ATOM 0 H ALA A 34 -1.637 0.510 18.392 1.00 0.00 H new ATOM 0 HA ALA A 34 1.171 0.718 17.888 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.391 1.927 15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.501 0.406 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.259 1.959 16.546 1.00 0.00 H new ATOM 515 N ILE A 35 -0.309 3.536 18.883 1.00 0.00 N ATOM 516 CA ILE A 35 -0.018 4.828 19.547 1.00 0.00 C ATOM 517 C ILE A 35 0.837 4.632 20.808 1.00 0.00 C ATOM 518 O ILE A 35 1.776 5.394 21.044 1.00 0.00 O ATOM 519 CB ILE A 35 -1.306 5.631 19.871 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.007 6.132 18.586 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.016 6.861 20.755 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.194 5.250 18.208 1.00 0.00 C ATOM 0 H ILE A 35 -1.303 3.369 18.724 1.00 0.00 H new ATOM 0 HA ILE A 35 0.558 5.419 18.835 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.955 4.937 20.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.348 7.157 18.734 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.291 6.150 17.764 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.946 7.392 20.956 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.573 6.536 21.696 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.323 7.525 20.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.659 5.635 17.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.849 4.231 18.034 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.923 5.253 19.019 1.00 0.00 H new ATOM 534 N ARG A 36 0.567 3.580 21.593 1.00 0.00 N ATOM 535 CA ARG A 36 1.301 3.234 22.823 1.00 0.00 C ATOM 536 C ARG A 36 2.809 2.985 22.623 1.00 0.00 C ATOM 537 O ARG A 36 3.569 3.148 23.578 1.00 0.00 O ATOM 538 CB ARG A 36 0.575 2.052 23.490 1.00 0.00 C ATOM 539 CG ARG A 36 1.061 1.743 24.912 1.00 0.00 C ATOM 540 CD ARG A 36 0.109 0.749 25.585 1.00 0.00 C ATOM 541 NE ARG A 36 0.566 0.398 26.944 1.00 0.00 N ATOM 542 CZ ARG A 36 -0.142 -0.180 27.897 1.00 0.00 C ATOM 543 NH1 ARG A 36 -1.393 -0.509 27.732 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.399 -0.442 29.053 1.00 0.00 N ATOM 0 H ARG A 36 -0.189 2.927 21.386 1.00 0.00 H new ATOM 0 HA ARG A 36 1.290 4.100 23.485 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.493 2.266 23.521 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.705 1.164 22.872 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.069 1.329 24.879 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.113 2.662 25.496 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.891 1.179 25.636 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.037 -0.154 24.979 1.00 0.00 H new ATOM 0 HE ARG A 36 1.534 0.627 27.172 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.857 -0.321 26.843 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.908 -0.954 28.492 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.375 -0.200 29.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.153 -0.889 29.785 1.00 0.00 H new ATOM 558 N MET A 37 3.271 2.668 21.406 1.00 0.00 N ATOM 559 CA MET A 37 4.708 2.584 21.074 1.00 0.00 C ATOM 560 C MET A 37 5.366 3.938 20.728 1.00 0.00 C ATOM 561 O MET A 37 6.591 4.007 20.610 1.00 0.00 O ATOM 562 CB MET A 37 4.953 1.606 19.914 1.00 0.00 C ATOM 563 CG MET A 37 4.426 0.190 20.174 1.00 0.00 C ATOM 564 SD MET A 37 5.355 -1.142 19.351 1.00 0.00 S ATOM 565 CE MET A 37 5.592 -0.445 17.693 1.00 0.00 C ATOM 0 H MET A 37 2.659 2.461 20.617 1.00 0.00 H new ATOM 0 HA MET A 37 5.178 2.223 21.989 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.481 1.999 19.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.023 1.554 19.715 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.434 0.007 21.249 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.386 0.141 19.850 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.952 -1.223 17.020 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.644 -0.056 17.323 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.323 0.363 17.739 1.00 0.00 H new ATOM 575 N GLY A 38 4.583 5.011 20.559 1.00 0.00 N ATOM 576 CA GLY A 38 5.046 6.375 20.253 1.00 0.00 C ATOM 577 C GLY A 38 4.533 6.969 18.930 1.00 0.00 C ATOM 578 O GLY A 38 4.840 8.126 18.632 1.00 0.00 O ATOM 0 H GLY A 38 3.567 4.953 20.634 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.744 7.033 21.068 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.136 6.373 20.232 1.00 0.00 H new ATOM 582 N PHE A 39 3.766 6.216 18.131 1.00 0.00 N ATOM 583 CA PHE A 39 3.104 6.718 16.916 1.00 0.00 C ATOM 584 C PHE A 39 1.971 7.729 17.218 1.00 0.00 C ATOM 585 O PHE A 39 1.509 7.859 18.355 1.00 0.00 O ATOM 586 CB PHE A 39 2.544 5.536 16.114 1.00 0.00 C ATOM 587 CG PHE A 39 3.559 4.641 15.428 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.245 5.104 14.288 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.760 3.318 15.869 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.125 4.251 13.598 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.631 2.463 15.175 1.00 0.00 C ATOM 592 CZ PHE A 39 5.309 2.928 14.039 1.00 0.00 C ATOM 0 H PHE A 39 3.584 5.229 18.311 1.00 0.00 H new ATOM 0 HA PHE A 39 3.857 7.252 16.336 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.946 4.921 16.786 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.868 5.929 15.355 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.095 6.116 13.943 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.241 2.960 16.746 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.659 4.611 12.731 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.779 1.449 15.516 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.974 2.269 13.501 1.00 0.00 H new ATOM 602 N SER A 40 1.482 8.415 16.180 1.00 0.00 N ATOM 603 CA SER A 40 0.412 9.426 16.245 1.00 0.00 C ATOM 604 C SER A 40 -0.945 8.849 15.819 1.00 0.00 C ATOM 605 O SER A 40 -1.034 8.222 14.762 1.00 0.00 O ATOM 606 CB SER A 40 0.760 10.591 15.307 1.00 0.00 C ATOM 607 OG SER A 40 2.037 11.134 15.612 1.00 0.00 O ATOM 0 H SER A 40 1.832 8.279 15.232 1.00 0.00 H new ATOM 0 HA SER A 40 0.336 9.762 17.279 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.747 10.245 14.273 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.001 11.369 15.393 1.00 0.00 H new ATOM 0 HG SER A 40 2.233 11.873 14.999 1.00 0.00 H new ATOM 613 N PHE A 41 -2.022 9.117 16.574 1.00 0.00 N ATOM 614 CA PHE A 41 -3.403 8.674 16.275 1.00 0.00 C ATOM 615 C PHE A 41 -3.811 8.908 14.813 1.00 0.00 C ATOM 616 O PHE A 41 -4.304 7.999 14.140 1.00 0.00 O ATOM 617 CB PHE A 41 -4.408 9.376 17.214 1.00 0.00 C ATOM 618 CG PHE A 41 -4.792 8.596 18.458 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.731 7.550 18.361 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.246 8.927 19.714 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.111 6.831 19.508 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.626 8.205 20.861 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.555 7.155 20.758 1.00 0.00 C ATOM 0 H PHE A 41 -1.960 9.662 17.434 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.422 7.597 16.444 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.985 10.332 17.522 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.314 9.596 16.649 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.160 7.300 17.402 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.535 9.736 19.797 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.830 6.029 19.429 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.203 8.458 21.822 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.841 6.598 21.638 1.00 0.00 H new ATOM 633 N LYS A 42 -3.561 10.126 14.320 1.00 0.00 N ATOM 634 CA LYS A 42 -3.825 10.576 12.944 1.00 0.00 C ATOM 635 C LYS A 42 -3.147 9.732 11.854 1.00 0.00 C ATOM 636 O LYS A 42 -3.710 9.604 10.770 1.00 0.00 O ATOM 637 CB LYS A 42 -3.534 12.089 12.830 1.00 0.00 C ATOM 638 CG LYS A 42 -2.129 12.564 13.264 1.00 0.00 C ATOM 639 CD LYS A 42 -1.039 12.445 12.195 1.00 0.00 C ATOM 640 CE LYS A 42 -1.208 13.498 11.101 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.231 13.276 10.011 1.00 0.00 N ATOM 0 H LYS A 42 -3.150 10.861 14.895 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.884 10.413 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.688 12.387 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.273 12.623 13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.196 13.606 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.823 11.988 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.059 12.556 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.071 11.450 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.222 13.457 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.071 14.494 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.279 14.066 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.728 13.220 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.455 12.387 9.520 1.00 0.00 H new ATOM 655 N ASP A 43 -1.992 9.122 12.131 1.00 0.00 N ATOM 656 CA ASP A 43 -1.295 8.235 11.189 1.00 0.00 C ATOM 657 C ASP A 43 -1.832 6.799 11.266 1.00 0.00 C ATOM 658 O ASP A 43 -1.979 6.148 10.228 1.00 0.00 O ATOM 659 CB ASP A 43 0.223 8.254 11.430 1.00 0.00 C ATOM 660 CG ASP A 43 0.885 9.590 11.040 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.497 10.201 10.014 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.807 10.034 11.762 1.00 0.00 O ATOM 0 H ASP A 43 -1.508 9.229 13.022 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.489 8.613 10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.419 8.053 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.685 7.448 10.860 1.00 0.00 H new ATOM 667 N ILE A 44 -2.193 6.313 12.464 1.00 0.00 N ATOM 668 CA ILE A 44 -2.802 4.983 12.617 1.00 0.00 C ATOM 669 C ILE A 44 -4.155 4.923 11.905 1.00 0.00 C ATOM 670 O ILE A 44 -4.386 4.021 11.100 1.00 0.00 O ATOM 671 CB ILE A 44 -2.961 4.533 14.086 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.767 4.836 15.008 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.232 3.015 14.093 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.405 4.425 14.460 1.00 0.00 C ATOM 0 H ILE A 44 -2.074 6.821 13.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.105 4.285 12.153 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.787 5.116 14.494 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.750 5.906 15.215 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.926 4.330 15.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.348 2.671 15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.144 2.806 13.535 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.395 2.494 13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.370 4.680 15.183 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.394 3.350 14.281 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.216 4.951 13.524 1.00 0.00 H new ATOM 686 N LYS A 45 -5.051 5.889 12.151 1.00 0.00 N ATOM 687 CA LYS A 45 -6.353 5.926 11.464 1.00 0.00 C ATOM 688 C LYS A 45 -6.210 6.083 9.946 1.00 0.00 C ATOM 689 O LYS A 45 -6.971 5.460 9.209 1.00 0.00 O ATOM 690 CB LYS A 45 -7.312 6.934 12.119 1.00 0.00 C ATOM 691 CG LYS A 45 -7.020 8.432 11.927 1.00 0.00 C ATOM 692 CD LYS A 45 -7.376 8.972 10.527 1.00 0.00 C ATOM 693 CE LYS A 45 -8.291 10.203 10.533 1.00 0.00 C ATOM 694 NZ LYS A 45 -7.667 11.373 11.199 1.00 0.00 N ATOM 0 H LYS A 45 -4.902 6.650 12.814 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.824 4.951 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.315 6.737 11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.331 6.731 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.576 8.998 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.961 8.611 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.454 9.223 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.860 8.178 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.546 10.467 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.224 9.956 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.141 11.549 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.659 11.180 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.763 12.211 10.590 1.00 0.00 H new ATOM 708 N LYS A 46 -5.209 6.844 9.475 1.00 0.00 N ATOM 709 CA LYS A 46 -4.907 7.021 8.046 1.00 0.00 C ATOM 710 C LYS A 46 -4.475 5.708 7.394 1.00 0.00 C ATOM 711 O LYS A 46 -5.018 5.345 6.350 1.00 0.00 O ATOM 712 CB LYS A 46 -3.870 8.146 7.844 1.00 0.00 C ATOM 713 CG LYS A 46 -3.438 8.357 6.379 1.00 0.00 C ATOM 714 CD LYS A 46 -4.577 8.809 5.440 1.00 0.00 C ATOM 715 CE LYS A 46 -4.598 8.026 4.119 1.00 0.00 C ATOM 716 NZ LYS A 46 -3.457 8.373 3.229 1.00 0.00 N ATOM 0 H LYS A 46 -4.577 7.361 10.086 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.823 7.327 7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.285 9.079 8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.987 7.921 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.642 9.102 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.017 7.426 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.533 8.683 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.467 9.872 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.574 6.958 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.534 8.226 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.519 7.817 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.492 9.387 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.562 8.158 3.713 1.00 0.00 H new ATOM 730 N ILE A 47 -3.517 4.988 7.986 1.00 0.00 N ATOM 731 CA ILE A 47 -3.077 3.702 7.427 1.00 0.00 C ATOM 732 C ILE A 47 -4.173 2.629 7.518 1.00 0.00 C ATOM 733 O ILE A 47 -4.338 1.855 6.581 1.00 0.00 O ATOM 734 CB ILE A 47 -1.717 3.255 8.013 1.00 0.00 C ATOM 735 CG1 ILE A 47 -0.988 2.404 6.955 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.830 2.521 9.359 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.453 2.055 7.331 1.00 0.00 C ATOM 0 H ILE A 47 -3.036 5.267 8.841 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.903 3.848 6.361 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.138 4.149 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.546 1.481 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.986 2.942 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.835 2.240 9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.297 3.177 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.438 1.625 9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.901 1.455 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.028 2.972 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.459 1.488 8.262 1.00 0.00 H new ATOM 749 N MET A 48 -4.976 2.626 8.590 1.00 0.00 N ATOM 750 CA MET A 48 -6.156 1.765 8.748 1.00 0.00 C ATOM 751 C MET A 48 -7.196 1.996 7.648 1.00 0.00 C ATOM 752 O MET A 48 -7.548 1.053 6.939 1.00 0.00 O ATOM 753 CB MET A 48 -6.792 1.977 10.131 1.00 0.00 C ATOM 754 CG MET A 48 -6.026 1.246 11.235 1.00 0.00 C ATOM 755 SD MET A 48 -6.319 -0.541 11.249 1.00 0.00 S ATOM 756 CE MET A 48 -5.036 -1.047 12.419 1.00 0.00 C ATOM 0 H MET A 48 -4.819 3.237 9.391 1.00 0.00 H new ATOM 0 HA MET A 48 -5.814 0.734 8.661 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.822 3.043 10.356 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.824 1.626 10.113 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.959 1.431 11.111 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.311 1.661 12.202 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.137 -2.111 12.632 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.054 -0.855 11.987 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.143 -0.480 13.344 1.00 0.00 H new ATOM 766 N GLU A 49 -7.702 3.225 7.485 1.00 0.00 N ATOM 767 CA GLU A 49 -8.721 3.515 6.467 1.00 0.00 C ATOM 768 C GLU A 49 -8.215 3.218 5.046 1.00 0.00 C ATOM 769 O GLU A 49 -8.946 2.631 4.251 1.00 0.00 O ATOM 770 CB GLU A 49 -9.298 4.939 6.610 1.00 0.00 C ATOM 771 CG GLU A 49 -8.385 6.076 6.128 1.00 0.00 C ATOM 772 CD GLU A 49 -9.016 7.462 6.358 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.008 7.803 5.667 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.500 8.240 7.197 1.00 0.00 O ATOM 0 H GLU A 49 -7.424 4.032 8.043 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.552 2.833 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.235 4.989 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.539 5.110 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.431 6.021 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.174 5.946 5.067 1.00 0.00 H new ATOM 781 N GLU A 50 -6.956 3.550 4.732 1.00 0.00 N ATOM 782 CA GLU A 50 -6.341 3.270 3.429 1.00 0.00 C ATOM 783 C GLU A 50 -6.176 1.761 3.180 1.00 0.00 C ATOM 784 O GLU A 50 -6.584 1.275 2.122 1.00 0.00 O ATOM 785 CB GLU A 50 -5.024 4.054 3.306 1.00 0.00 C ATOM 786 CG GLU A 50 -4.480 4.157 1.868 1.00 0.00 C ATOM 787 CD GLU A 50 -3.455 3.075 1.453 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.235 2.081 2.183 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.834 3.240 0.374 1.00 0.00 O ATOM 0 H GLU A 50 -6.330 4.025 5.382 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.008 3.613 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.175 5.060 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.271 3.578 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.323 4.115 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.016 5.136 1.745 1.00 0.00 H new ATOM 796 N LYS A 51 -5.681 0.998 4.168 1.00 0.00 N ATOM 797 CA LYS A 51 -5.607 -0.473 4.139 1.00 0.00 C ATOM 798 C LYS A 51 -6.972 -1.082 3.831 1.00 0.00 C ATOM 799 O LYS A 51 -7.097 -1.808 2.851 1.00 0.00 O ATOM 800 CB LYS A 51 -5.011 -0.997 5.461 1.00 0.00 C ATOM 801 CG LYS A 51 -4.992 -2.528 5.619 1.00 0.00 C ATOM 802 CD LYS A 51 -4.092 -3.247 4.601 1.00 0.00 C ATOM 803 CE LYS A 51 -3.925 -4.735 4.951 1.00 0.00 C ATOM 804 NZ LYS A 51 -5.161 -5.531 4.722 1.00 0.00 N ATOM 0 H LYS A 51 -5.312 1.397 5.031 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.941 -0.783 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.989 -0.627 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.578 -0.571 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.655 -2.776 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.009 -2.906 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.521 -3.152 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.114 -2.766 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.115 -5.154 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.630 -4.825 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.077 -6.449 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.981 -5.016 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.291 -5.685 3.702 1.00 0.00 H new ATOM 818 N ILE A 52 -7.996 -0.786 4.634 1.00 0.00 N ATOM 819 CA ILE A 52 -9.350 -1.340 4.466 1.00 0.00 C ATOM 820 C ILE A 52 -9.942 -0.955 3.098 1.00 0.00 C ATOM 821 O ILE A 52 -10.488 -1.814 2.406 1.00 0.00 O ATOM 822 CB ILE A 52 -10.263 -0.913 5.641 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.715 -1.426 6.997 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.695 -1.449 5.446 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.332 -0.700 8.201 1.00 0.00 C ATOM 0 H ILE A 52 -7.913 -0.150 5.427 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.284 -2.428 4.485 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.279 0.177 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.912 -2.495 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.633 -1.299 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.318 -1.136 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.109 -1.053 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.673 -2.538 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.911 -1.101 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.112 0.366 8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.412 -0.848 8.201 1.00 0.00 H new ATOM 837 N GLN A 53 -9.802 0.305 2.671 1.00 0.00 N ATOM 838 CA GLN A 53 -10.288 0.813 1.380 1.00 0.00 C ATOM 839 C GLN A 53 -9.657 0.097 0.168 1.00 0.00 C ATOM 840 O GLN A 53 -10.373 -0.286 -0.761 1.00 0.00 O ATOM 841 CB GLN A 53 -10.051 2.333 1.344 1.00 0.00 C ATOM 842 CG GLN A 53 -10.540 3.026 0.064 1.00 0.00 C ATOM 843 CD GLN A 53 -10.490 4.547 0.208 1.00 0.00 C ATOM 844 OE1 GLN A 53 -11.503 5.223 0.344 1.00 0.00 O ATOM 845 NE2 GLN A 53 -9.319 5.152 0.201 1.00 0.00 N ATOM 0 H GLN A 53 -9.335 1.020 3.228 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.354 0.601 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.551 2.786 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.984 2.524 1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.922 2.717 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.560 2.712 -0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.464 4.607 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.268 6.165 0.308 1.00 0.00 H new ATOM 854 N ILE A 54 -8.331 -0.083 0.160 1.00 0.00 N ATOM 855 CA ILE A 54 -7.575 -0.695 -0.948 1.00 0.00 C ATOM 856 C ILE A 54 -7.628 -2.235 -0.908 1.00 0.00 C ATOM 857 O ILE A 54 -7.960 -2.873 -1.909 1.00 0.00 O ATOM 858 CB ILE A 54 -6.120 -0.160 -0.939 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.046 1.375 -1.149 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.233 -0.869 -1.979 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.521 1.901 -2.512 1.00 0.00 C ATOM 0 H ILE A 54 -7.737 0.198 0.940 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.045 -0.408 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.736 -0.384 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.640 1.855 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.013 1.691 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.223 -0.460 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.202 -1.937 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.645 -0.712 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.421 2.986 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.914 1.462 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.566 1.629 -2.663 1.00 0.00 H new ATOM 873 N SER A 55 -7.286 -2.841 0.233 1.00 0.00 N ATOM 874 CA SER A 55 -7.141 -4.296 0.431 1.00 0.00 C ATOM 875 C SER A 55 -8.473 -5.028 0.674 1.00 0.00 C ATOM 876 O SER A 55 -8.602 -6.212 0.352 1.00 0.00 O ATOM 877 CB SER A 55 -6.205 -4.511 1.629 1.00 0.00 C ATOM 878 OG SER A 55 -5.861 -5.865 1.863 1.00 0.00 O ATOM 0 H SER A 55 -7.093 -2.313 1.084 1.00 0.00 H new ATOM 0 HA SER A 55 -6.736 -4.720 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.291 -3.938 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.680 -4.109 2.524 1.00 0.00 H new ATOM 0 HG SER A 55 -6.469 -6.448 1.362 1.00 0.00 H new ATOM 884 N GLY A 56 -9.477 -4.338 1.229 1.00 0.00 N ATOM 885 CA GLY A 56 -10.809 -4.873 1.554 1.00 0.00 C ATOM 886 C GLY A 56 -10.966 -5.415 2.985 1.00 0.00 C ATOM 887 O GLY A 56 -12.082 -5.759 3.380 1.00 0.00 O ATOM 0 H GLY A 56 -9.382 -3.353 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.547 -4.086 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.043 -5.673 0.852 1.00 0.00 H new ATOM 891 N SER A 57 -9.882 -5.497 3.768 1.00 0.00 N ATOM 892 CA SER A 57 -9.857 -5.960 5.171 1.00 0.00 C ATOM 893 C SER A 57 -8.779 -5.247 5.999 1.00 0.00 C ATOM 894 O SER A 57 -7.829 -4.682 5.451 1.00 0.00 O ATOM 895 CB SER A 57 -9.603 -7.478 5.222 1.00 0.00 C ATOM 896 OG SER A 57 -10.754 -8.208 4.823 1.00 0.00 O ATOM 0 H SER A 57 -8.956 -5.232 3.431 1.00 0.00 H new ATOM 0 HA SER A 57 -10.829 -5.722 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.766 -7.731 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.319 -7.767 6.234 1.00 0.00 H new ATOM 0 HG SER A 57 -11.407 -7.596 4.424 1.00 0.00 H new ATOM 902 N ASN A 58 -8.908 -5.308 7.330 1.00 0.00 N ATOM 903 CA ASN A 58 -7.975 -4.757 8.325 1.00 0.00 C ATOM 904 C ASN A 58 -6.585 -5.448 8.301 1.00 0.00 C ATOM 905 O ASN A 58 -6.345 -6.385 7.531 1.00 0.00 O ATOM 906 CB ASN A 58 -8.670 -4.857 9.705 1.00 0.00 C ATOM 907 CG ASN A 58 -8.160 -3.841 10.715 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.129 -4.004 11.350 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.843 -2.735 10.876 1.00 0.00 N ATOM 0 H ASN A 58 -9.708 -5.767 7.767 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.754 -3.716 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.743 -4.720 9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.524 -5.860 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.513 -2.022 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.705 -2.587 10.352 1.00 0.00 H new ATOM 916 N TYR A 59 -5.654 -4.994 9.144 1.00 0.00 N ATOM 917 CA TYR A 59 -4.370 -5.654 9.402 1.00 0.00 C ATOM 918 C TYR A 59 -4.529 -6.969 10.193 1.00 0.00 C ATOM 919 O TYR A 59 -5.451 -7.132 10.996 1.00 0.00 O ATOM 920 CB TYR A 59 -3.440 -4.670 10.135 1.00 0.00 C ATOM 921 CG TYR A 59 -2.803 -3.671 9.189 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.784 -4.122 8.331 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.249 -2.334 9.113 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.226 -3.256 7.377 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.683 -1.459 8.163 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.678 -1.924 7.285 1.00 0.00 C ATOM 927 OH TYR A 59 -1.164 -1.106 6.329 1.00 0.00 O ATOM 0 H TYR A 59 -5.775 -4.135 9.680 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.929 -5.933 8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.007 -4.136 10.897 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.659 -5.227 10.652 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.429 -5.139 8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.022 -1.982 9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.451 -3.610 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.017 -0.434 8.106 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.392 -1.539 5.909 1.00 0.00 H new ATOM 937 N LYS A 60 -3.601 -7.909 9.968 1.00 0.00 N ATOM 938 CA LYS A 60 -3.568 -9.255 10.576 1.00 0.00 C ATOM 939 C LYS A 60 -3.105 -9.225 12.038 1.00 0.00 C ATOM 940 O LYS A 60 -3.818 -9.693 12.927 1.00 0.00 O ATOM 941 CB LYS A 60 -2.654 -10.169 9.733 1.00 0.00 C ATOM 942 CG LYS A 60 -3.243 -10.504 8.349 1.00 0.00 C ATOM 943 CD LYS A 60 -4.319 -11.605 8.387 1.00 0.00 C ATOM 944 CE LYS A 60 -3.738 -13.015 8.586 1.00 0.00 C ATOM 945 NZ LYS A 60 -3.054 -13.517 7.363 1.00 0.00 N ATOM 0 H LYS A 60 -2.819 -7.750 9.332 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.584 -9.649 10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.687 -9.684 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.474 -11.095 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.675 -9.600 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.437 -10.818 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.020 -11.391 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.887 -11.581 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.032 -13.002 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.539 -13.701 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.722 -14.489 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.720 -13.507 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.241 -12.906 7.144 1.00 0.00 H new ATOM 959 N SER A 61 -1.916 -8.664 12.265 1.00 0.00 N ATOM 960 CA SER A 61 -1.227 -8.551 13.559 1.00 0.00 C ATOM 961 C SER A 61 -0.447 -7.235 13.639 1.00 0.00 C ATOM 962 O SER A 61 -0.210 -6.583 12.616 1.00 0.00 O ATOM 963 CB SER A 61 -0.247 -9.723 13.744 1.00 0.00 C ATOM 964 OG SER A 61 -0.925 -10.971 13.728 1.00 0.00 O ATOM 0 H SER A 61 -1.373 -8.251 11.507 1.00 0.00 H new ATOM 0 HA SER A 61 -1.981 -8.574 14.346 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.501 -9.703 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.286 -9.608 14.688 1.00 0.00 H new ATOM 0 HG SER A 61 -0.277 -11.697 13.846 1.00 0.00 H new ATOM 970 N LEU A 62 0.000 -6.859 14.844 1.00 0.00 N ATOM 971 CA LEU A 62 0.781 -5.634 15.065 1.00 0.00 C ATOM 972 C LEU A 62 2.071 -5.609 14.234 1.00 0.00 C ATOM 973 O LEU A 62 2.436 -4.548 13.747 1.00 0.00 O ATOM 974 CB LEU A 62 1.106 -5.433 16.561 1.00 0.00 C ATOM 975 CG LEU A 62 -0.026 -4.940 17.489 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.683 -3.655 16.984 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.118 -5.983 17.726 1.00 0.00 C ATOM 0 H LEU A 62 -0.170 -7.396 15.695 1.00 0.00 H new ATOM 0 HA LEU A 62 0.155 -4.806 14.731 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.470 -6.382 16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.929 -4.722 16.631 1.00 0.00 H new ATOM 0 HG LEU A 62 0.476 -4.743 18.436 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.471 -3.354 17.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.065 -2.865 16.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.112 -3.829 15.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.880 -5.569 18.386 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.573 -6.256 16.774 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.681 -6.869 18.187 1.00 0.00 H new ATOM 989 N GLU A 63 2.722 -6.755 14.007 1.00 0.00 N ATOM 990 CA GLU A 63 3.935 -6.868 13.176 1.00 0.00 C ATOM 991 C GLU A 63 3.757 -6.247 11.779 1.00 0.00 C ATOM 992 O GLU A 63 4.570 -5.421 11.358 1.00 0.00 O ATOM 993 CB GLU A 63 4.357 -8.339 13.030 1.00 0.00 C ATOM 994 CG GLU A 63 4.794 -8.975 14.356 1.00 0.00 C ATOM 995 CD GLU A 63 5.345 -10.399 14.130 1.00 0.00 C ATOM 996 OE1 GLU A 63 4.559 -11.314 13.779 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.569 -10.619 14.312 1.00 0.00 O ATOM 0 H GLU A 63 2.420 -7.646 14.400 1.00 0.00 H new ATOM 0 HA GLU A 63 4.715 -6.308 13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.525 -8.910 12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.176 -8.406 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.558 -8.356 14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.948 -9.013 15.042 1.00 0.00 H new ATOM 1004 N VAL A 64 2.681 -6.615 11.071 1.00 0.00 N ATOM 1005 CA VAL A 64 2.344 -6.072 9.743 1.00 0.00 C ATOM 1006 C VAL A 64 2.000 -4.582 9.845 1.00 0.00 C ATOM 1007 O VAL A 64 2.494 -3.775 9.057 1.00 0.00 O ATOM 1008 CB VAL A 64 1.178 -6.838 9.081 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.036 -6.445 7.605 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.370 -8.360 9.125 1.00 0.00 C ATOM 0 H VAL A 64 2.010 -7.306 11.406 1.00 0.00 H new ATOM 0 HA VAL A 64 3.224 -6.198 9.112 1.00 0.00 H new ATOM 0 HB VAL A 64 0.289 -6.568 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.208 -6.997 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.840 -5.375 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.958 -6.683 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.521 -8.848 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.286 -8.627 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.439 -8.688 10.162 1.00 0.00 H new ATOM 1020 N LEU A 65 1.186 -4.213 10.841 1.00 0.00 N ATOM 1021 CA LEU A 65 0.742 -2.842 11.101 1.00 0.00 C ATOM 1022 C LEU A 65 1.940 -1.884 11.278 1.00 0.00 C ATOM 1023 O LEU A 65 2.063 -0.897 10.551 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.191 -2.844 12.335 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.331 -1.804 12.345 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.784 -1.589 13.790 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -0.975 -0.440 11.759 1.00 0.00 C ATOM 0 H LEU A 65 0.807 -4.884 11.509 1.00 0.00 H new ATOM 0 HA LEU A 65 0.185 -2.471 10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.635 -3.836 12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.420 -2.687 13.224 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.110 -2.219 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.590 -0.856 13.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.140 -2.533 14.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.945 -1.225 14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.843 0.217 11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.153 -0.003 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.674 -0.559 10.718 1.00 0.00 H new ATOM 1039 N VAL A 66 2.842 -2.172 12.226 1.00 0.00 N ATOM 1040 CA VAL A 66 3.992 -1.313 12.568 1.00 0.00 C ATOM 1041 C VAL A 66 5.056 -1.278 11.470 1.00 0.00 C ATOM 1042 O VAL A 66 5.635 -0.219 11.232 1.00 0.00 O ATOM 1043 CB VAL A 66 4.611 -1.639 13.944 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.540 -1.607 15.045 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.390 -2.960 13.992 1.00 0.00 C ATOM 0 H VAL A 66 2.795 -3.022 12.788 1.00 0.00 H new ATOM 0 HA VAL A 66 3.578 -0.308 12.644 1.00 0.00 H new ATOM 0 HB VAL A 66 5.347 -0.855 14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.999 -1.840 16.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.092 -0.614 15.088 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.768 -2.344 14.823 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.790 -3.110 14.995 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.723 -3.785 13.740 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.210 -2.925 13.275 1.00 0.00 H new ATOM 1055 N ALA A 67 5.274 -2.386 10.752 1.00 0.00 N ATOM 1056 CA ALA A 67 6.134 -2.419 9.567 1.00 0.00 C ATOM 1057 C ALA A 67 5.604 -1.485 8.463 1.00 0.00 C ATOM 1058 O ALA A 67 6.347 -0.657 7.932 1.00 0.00 O ATOM 1059 CB ALA A 67 6.257 -3.865 9.074 1.00 0.00 C ATOM 0 H ALA A 67 4.856 -3.288 10.979 1.00 0.00 H new ATOM 0 HA ALA A 67 7.125 -2.053 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.896 -3.895 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.693 -4.481 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.269 -4.248 8.819 1.00 0.00 H new ATOM 1065 N ASP A 68 4.311 -1.581 8.139 1.00 0.00 N ATOM 1066 CA ASP A 68 3.669 -0.708 7.154 1.00 0.00 C ATOM 1067 C ASP A 68 3.625 0.763 7.611 1.00 0.00 C ATOM 1068 O ASP A 68 3.808 1.644 6.776 1.00 0.00 O ATOM 1069 CB ASP A 68 2.268 -1.230 6.797 1.00 0.00 C ATOM 1070 CG ASP A 68 2.265 -2.371 5.760 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.282 -3.087 5.582 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.225 -2.533 5.077 1.00 0.00 O ATOM 0 H ASP A 68 3.680 -2.267 8.553 1.00 0.00 H new ATOM 0 HA ASP A 68 4.282 -0.731 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.780 -1.579 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.671 -0.403 6.413 1.00 0.00 H new ATOM 1077 N LEU A 69 3.467 1.053 8.910 1.00 0.00 N ATOM 1078 CA LEU A 69 3.588 2.408 9.475 1.00 0.00 C ATOM 1079 C LEU A 69 4.973 3.019 9.233 1.00 0.00 C ATOM 1080 O LEU A 69 5.064 4.091 8.628 1.00 0.00 O ATOM 1081 CB LEU A 69 3.274 2.406 10.981 1.00 0.00 C ATOM 1082 CG LEU A 69 1.778 2.394 11.326 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.604 2.027 12.798 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.138 3.769 11.108 1.00 0.00 C ATOM 0 H LEU A 69 3.248 0.344 9.610 1.00 0.00 H new ATOM 0 HA LEU A 69 2.856 3.027 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.744 1.534 11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.730 3.286 11.434 1.00 0.00 H new ATOM 0 HG LEU A 69 1.294 1.667 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.543 2.017 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.029 1.040 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.116 2.762 13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.079 3.722 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.631 4.505 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.248 4.060 10.063 1.00 0.00 H new ATOM 1096 N VAL A 70 6.054 2.371 9.695 1.00 0.00 N ATOM 1097 CA VAL A 70 7.419 2.910 9.516 1.00 0.00 C ATOM 1098 C VAL A 70 7.822 3.022 8.042 1.00 0.00 C ATOM 1099 O VAL A 70 8.627 3.886 7.701 1.00 0.00 O ATOM 1100 CB VAL A 70 8.509 2.165 10.314 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.219 2.172 11.815 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.754 0.721 9.866 1.00 0.00 C ATOM 0 H VAL A 70 6.015 1.481 10.191 1.00 0.00 H new ATOM 0 HA VAL A 70 7.359 3.914 9.936 1.00 0.00 H new ATOM 0 HB VAL A 70 9.418 2.727 10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.010 1.637 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.177 3.201 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.263 1.683 12.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.536 0.277 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.835 0.145 9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.066 0.712 8.822 1.00 0.00 H new ATOM 1112 N ASN A 71 7.252 2.195 7.161 1.00 0.00 N ATOM 1113 CA ASN A 71 7.366 2.327 5.710 1.00 0.00 C ATOM 1114 C ASN A 71 6.608 3.569 5.194 1.00 0.00 C ATOM 1115 O ASN A 71 7.216 4.458 4.598 1.00 0.00 O ATOM 1116 CB ASN A 71 6.878 1.021 5.062 1.00 0.00 C ATOM 1117 CG ASN A 71 7.057 1.043 3.554 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.162 0.954 3.039 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.987 1.166 2.801 1.00 0.00 N ATOM 0 H ASN A 71 6.685 1.396 7.446 1.00 0.00 H new ATOM 0 HA ASN A 71 8.408 2.486 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.428 0.179 5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.826 0.866 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.078 1.187 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.066 1.240 3.232 1.00 0.00 H new ATOM 1126 N ALA A 72 5.299 3.657 5.453 1.00 0.00 N ATOM 1127 CA ALA A 72 4.415 4.724 4.979 1.00 0.00 C ATOM 1128 C ALA A 72 4.850 6.134 5.423 1.00 0.00 C ATOM 1129 O ALA A 72 4.697 7.091 4.662 1.00 0.00 O ATOM 1130 CB ALA A 72 2.983 4.421 5.437 1.00 0.00 C ATOM 0 H ALA A 72 4.810 2.963 6.018 1.00 0.00 H new ATOM 0 HA ALA A 72 4.472 4.737 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.315 5.209 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.663 3.465 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.952 4.373 6.525 1.00 0.00 H new ATOM 1136 N GLN A 73 5.410 6.282 6.631 1.00 0.00 N ATOM 1137 CA GLN A 73 5.940 7.565 7.114 1.00 0.00 C ATOM 1138 C GLN A 73 7.347 7.905 6.572 1.00 0.00 C ATOM 1139 O GLN A 73 7.735 9.076 6.600 1.00 0.00 O ATOM 1140 CB GLN A 73 5.835 7.635 8.648 1.00 0.00 C ATOM 1141 CG GLN A 73 6.851 6.780 9.427 1.00 0.00 C ATOM 1142 CD GLN A 73 8.125 7.543 9.793 1.00 0.00 C ATOM 1143 OE1 GLN A 73 9.194 7.329 9.240 1.00 0.00 O ATOM 1144 NE2 GLN A 73 8.069 8.451 10.745 1.00 0.00 N ATOM 0 H GLN A 73 5.508 5.518 7.300 1.00 0.00 H new ATOM 0 HA GLN A 73 5.313 8.356 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.952 8.674 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.831 7.328 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.382 6.411 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.116 5.908 8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.185 8.642 11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.910 8.964 11.011 1.00 0.00 H new ATOM 1153 N LYS A 74 8.094 6.925 6.031 1.00 0.00 N ATOM 1154 CA LYS A 74 9.339 7.143 5.263 1.00 0.00 C ATOM 1155 C LYS A 74 9.087 7.548 3.804 1.00 0.00 C ATOM 1156 O LYS A 74 9.888 8.300 3.247 1.00 0.00 O ATOM 1157 CB LYS A 74 10.242 5.892 5.307 1.00 0.00 C ATOM 1158 CG LYS A 74 11.225 5.929 6.487 1.00 0.00 C ATOM 1159 CD LYS A 74 12.274 4.804 6.414 1.00 0.00 C ATOM 1160 CE LYS A 74 11.731 3.409 6.753 1.00 0.00 C ATOM 1161 NZ LYS A 74 11.443 3.275 8.203 1.00 0.00 N ATOM 0 H LYS A 74 7.846 5.939 6.116 1.00 0.00 H new ATOM 0 HA LYS A 74 9.845 7.978 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.621 5.000 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.800 5.815 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.732 6.894 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.670 5.844 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.696 4.782 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.090 5.039 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.822 3.223 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.456 2.652 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.640 2.300 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.044 3.933 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.443 3.497 8.380 1.00 0.00 H new ATOM 1175 N ASP A 75 7.994 7.088 3.191 1.00 0.00 N ATOM 1176 CA ASP A 75 7.629 7.352 1.784 1.00 0.00 C ATOM 1177 C ASP A 75 6.260 8.049 1.607 1.00 0.00 C ATOM 1178 O ASP A 75 5.533 7.816 0.635 1.00 0.00 O ATOM 1179 CB ASP A 75 7.849 6.097 0.915 1.00 0.00 C ATOM 1180 CG ASP A 75 6.913 4.894 1.163 1.00 0.00 C ATOM 1181 OD1 ASP A 75 5.828 5.033 1.774 1.00 0.00 O ATOM 1182 OD2 ASP A 75 7.263 3.782 0.694 1.00 0.00 O ATOM 0 H ASP A 75 7.311 6.501 3.670 1.00 0.00 H new ATOM 0 HA ASP A 75 8.318 8.105 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.754 6.389 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.876 5.762 1.060 1.00 0.00 H new ATOM 1187 N SER A 76 5.934 8.952 2.538 1.00 0.00 N ATOM 1188 CA SER A 76 4.791 9.879 2.483 1.00 0.00 C ATOM 1189 C SER A 76 4.772 10.743 1.207 1.00 0.00 C ATOM 1190 O SER A 76 5.778 10.868 0.503 1.00 0.00 O ATOM 1191 CB SER A 76 4.799 10.776 3.732 1.00 0.00 C ATOM 1192 OG SER A 76 6.059 11.412 3.881 1.00 0.00 O ATOM 0 H SER A 76 6.483 9.064 3.390 1.00 0.00 H new ATOM 0 HA SER A 76 3.885 9.273 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.013 11.527 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.580 10.179 4.617 1.00 0.00 H new ATOM 0 HG SER A 76 6.046 11.980 4.679 1.00 0.00 H new ATOM 1198 N MET A 77 3.617 11.344 0.893 1.00 0.00 N ATOM 1199 CA MET A 77 3.376 12.068 -0.368 1.00 0.00 C ATOM 1200 C MET A 77 2.654 13.411 -0.155 1.00 0.00 C ATOM 1201 O MET A 77 2.041 13.654 0.889 1.00 0.00 O ATOM 1202 CB MET A 77 2.585 11.173 -1.345 1.00 0.00 C ATOM 1203 CG MET A 77 3.252 9.810 -1.587 1.00 0.00 C ATOM 1204 SD MET A 77 2.536 8.828 -2.936 1.00 0.00 S ATOM 1205 CE MET A 77 3.340 9.614 -4.359 1.00 0.00 C ATOM 0 H MET A 77 2.809 11.342 1.516 1.00 0.00 H new ATOM 0 HA MET A 77 4.350 12.305 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.581 11.015 -0.952 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.476 11.692 -2.297 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.309 9.973 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.197 9.228 -0.667 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.010 9.129 -5.277 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.073 10.670 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.422 9.516 -4.266 1.00 0.00 H new ATOM 1215 N GLN A 78 2.712 14.284 -1.165 1.00 0.00 N ATOM 1216 CA GLN A 78 2.116 15.628 -1.169 1.00 0.00 C ATOM 1217 C GLN A 78 0.600 15.586 -1.459 1.00 0.00 C ATOM 1218 O GLN A 78 0.129 16.034 -2.509 1.00 0.00 O ATOM 1219 CB GLN A 78 2.875 16.523 -2.169 1.00 0.00 C ATOM 1220 CG GLN A 78 4.349 16.742 -1.786 1.00 0.00 C ATOM 1221 CD GLN A 78 5.066 17.675 -2.766 1.00 0.00 C ATOM 1222 OE1 GLN A 78 5.069 17.477 -3.975 1.00 0.00 O ATOM 1223 NE2 GLN A 78 5.703 18.726 -2.295 1.00 0.00 N ATOM 0 H GLN A 78 3.194 14.068 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 78 2.217 16.059 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.827 16.072 -3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.375 17.490 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.404 17.161 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.863 15.781 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.713 18.909 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.187 19.357 -2.933 1.00 0.00 H new ATOM 1232 N ASP A 79 -0.184 15.035 -0.529 1.00 0.00 N ATOM 1233 CA ASP A 79 -1.653 15.062 -0.568 1.00 0.00 C ATOM 1234 C ASP A 79 -2.211 16.496 -0.444 1.00 0.00 C ATOM 1235 O ASP A 79 -1.718 17.314 0.339 1.00 0.00 O ATOM 1236 CB ASP A 79 -2.224 14.170 0.545 1.00 0.00 C ATOM 1237 CG ASP A 79 -2.223 12.686 0.147 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -3.047 12.295 -0.715 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -1.419 11.900 0.702 1.00 0.00 O ATOM 0 H ASP A 79 0.188 14.549 0.287 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.964 14.677 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.637 14.303 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.242 14.484 0.775 1.00 0.00 H new ATOM 1244 N GLU A 80 -3.261 16.803 -1.211 1.00 0.00 N ATOM 1245 CA GLU A 80 -3.977 18.086 -1.176 1.00 0.00 C ATOM 1246 C GLU A 80 -4.757 18.249 0.146 1.00 0.00 C ATOM 1247 O GLU A 80 -5.616 17.423 0.472 1.00 0.00 O ATOM 1248 CB GLU A 80 -4.911 18.171 -2.401 1.00 0.00 C ATOM 1249 CG GLU A 80 -5.553 19.551 -2.605 1.00 0.00 C ATOM 1250 CD GLU A 80 -4.518 20.610 -3.035 1.00 0.00 C ATOM 1251 OE1 GLU A 80 -3.900 21.250 -2.150 1.00 0.00 O ATOM 1252 OE2 GLU A 80 -4.315 20.810 -4.259 1.00 0.00 O ATOM 0 H GLU A 80 -3.649 16.150 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.260 18.905 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.345 17.910 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.700 17.427 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.334 19.479 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.033 19.868 -1.679 1.00 0.00 H new ATOM 1259 N SER A 81 -4.453 19.296 0.923 1.00 0.00 N ATOM 1260 CA SER A 81 -5.015 19.539 2.262 1.00 0.00 C ATOM 1261 C SER A 81 -5.305 21.029 2.501 1.00 0.00 C ATOM 1262 O SER A 81 -4.405 21.876 2.451 1.00 0.00 O ATOM 1263 CB SER A 81 -4.061 18.984 3.327 1.00 0.00 C ATOM 1264 OG SER A 81 -4.651 19.033 4.619 1.00 0.00 O ATOM 0 H SER A 81 -3.793 20.017 0.633 1.00 0.00 H new ATOM 0 HA SER A 81 -5.971 19.020 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.798 17.955 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.135 19.559 3.325 1.00 0.00 H new ATOM 0 HG SER A 81 -4.023 18.672 5.279 1.00 0.00 H new ATOM 1270 N SER A 82 -6.581 21.357 2.731 1.00 0.00 N ATOM 1271 CA SER A 82 -7.077 22.715 3.004 1.00 0.00 C ATOM 1272 C SER A 82 -6.458 23.333 4.267 1.00 0.00 C ATOM 1273 O SER A 82 -6.364 22.690 5.316 1.00 0.00 O ATOM 1274 CB SER A 82 -8.610 22.710 3.112 1.00 0.00 C ATOM 1275 OG SER A 82 -9.083 21.709 4.006 1.00 0.00 O ATOM 0 H SER A 82 -7.326 20.660 2.733 1.00 0.00 H new ATOM 0 HA SER A 82 -6.771 23.338 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.952 23.688 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.041 22.546 2.125 1.00 0.00 H new ATOM 0 HG SER A 82 -10.062 21.742 4.046 1.00 0.00 H new ATOM 1281 N GLN A 83 -6.044 24.599 4.171 1.00 0.00 N ATOM 1282 CA GLN A 83 -5.421 25.357 5.261 1.00 0.00 C ATOM 1283 C GLN A 83 -6.480 25.886 6.245 1.00 0.00 C ATOM 1284 O GLN A 83 -6.999 26.992 6.087 1.00 0.00 O ATOM 1285 CB GLN A 83 -4.557 26.493 4.677 1.00 0.00 C ATOM 1286 CG GLN A 83 -3.452 26.006 3.720 1.00 0.00 C ATOM 1287 CD GLN A 83 -2.481 25.025 4.377 1.00 0.00 C ATOM 1288 OE1 GLN A 83 -1.674 25.383 5.226 1.00 0.00 O ATOM 1289 NE2 GLN A 83 -2.513 23.755 4.028 1.00 0.00 N ATOM 0 H GLN A 83 -6.135 25.140 3.311 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.770 24.693 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.203 27.191 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.097 27.045 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.913 25.528 2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.895 26.867 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.178 23.436 3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.873 23.090 4.463 1.00 0.00 H new ATOM 1298 N THR A 84 -6.830 25.096 7.264 1.00 0.00 N ATOM 1299 CA THR A 84 -7.698 25.532 8.376 1.00 0.00 C ATOM 1300 C THR A 84 -7.054 26.658 9.204 1.00 0.00 C ATOM 1301 O THR A 84 -5.837 26.869 9.157 1.00 0.00 O ATOM 1302 CB THR A 84 -8.077 24.345 9.283 1.00 0.00 C ATOM 1303 OG1 THR A 84 -6.944 23.591 9.668 1.00 0.00 O ATOM 1304 CG2 THR A 84 -9.021 23.378 8.564 1.00 0.00 C ATOM 0 H THR A 84 -6.520 24.128 7.347 1.00 0.00 H new ATOM 0 HA THR A 84 -8.608 25.932 7.929 1.00 0.00 H new ATOM 0 HB THR A 84 -8.556 24.784 10.158 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.225 22.849 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.271 22.551 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.933 23.903 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.533 22.990 7.670 1.00 0.00 H new ATOM 1312 N SER A 85 -7.866 27.392 9.975 1.00 0.00 N ATOM 1313 CA SER A 85 -7.450 28.528 10.827 1.00 0.00 C ATOM 1314 C SER A 85 -6.780 29.700 10.073 1.00 0.00 C ATOM 1315 O SER A 85 -6.042 30.486 10.671 1.00 0.00 O ATOM 1316 CB SER A 85 -6.589 28.042 12.010 1.00 0.00 C ATOM 1317 OG SER A 85 -7.230 26.989 12.724 1.00 0.00 O ATOM 0 H SER A 85 -8.868 27.210 10.029 1.00 0.00 H new ATOM 0 HA SER A 85 -8.377 28.952 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.623 27.697 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.394 28.875 12.686 1.00 0.00 H new ATOM 0 HG SER A 85 -6.658 26.702 13.466 1.00 0.00 H new ATOM 1323 N LEU A 86 -7.026 29.839 8.759 1.00 0.00 N ATOM 1324 CA LEU A 86 -6.454 30.895 7.901 1.00 0.00 C ATOM 1325 C LEU A 86 -6.847 32.329 8.312 1.00 0.00 C ATOM 1326 O LEU A 86 -6.101 33.275 8.049 1.00 0.00 O ATOM 1327 CB LEU A 86 -6.805 30.602 6.423 1.00 0.00 C ATOM 1328 CG LEU A 86 -8.284 30.800 6.010 1.00 0.00 C ATOM 1329 CD1 LEU A 86 -8.577 32.216 5.497 1.00 0.00 C ATOM 1330 CD2 LEU A 86 -8.667 29.852 4.874 1.00 0.00 C ATOM 0 H LEU A 86 -7.643 29.206 8.250 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.373 30.864 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.187 31.241 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.525 29.572 6.204 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.858 30.605 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.629 32.293 5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.352 32.940 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.959 32.422 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.711 30.012 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.034 30.047 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.530 28.821 5.199 1.00 0.00 H new ATOM 1342 N GLN A 87 -8.020 32.501 8.929 1.00 0.00 N ATOM 1343 CA GLN A 87 -8.581 33.799 9.315 1.00 0.00 C ATOM 1344 C GLN A 87 -7.819 34.407 10.510 1.00 0.00 C ATOM 1345 O GLN A 87 -7.759 33.806 11.588 1.00 0.00 O ATOM 1346 CB GLN A 87 -10.080 33.626 9.612 1.00 0.00 C ATOM 1347 CG GLN A 87 -10.805 34.974 9.750 1.00 0.00 C ATOM 1348 CD GLN A 87 -12.301 34.788 10.003 1.00 0.00 C ATOM 1349 OE1 GLN A 87 -12.734 34.371 11.071 1.00 0.00 O ATOM 1350 NE2 GLN A 87 -13.154 35.082 9.043 1.00 0.00 N ATOM 0 H GLN A 87 -8.623 31.718 9.181 1.00 0.00 H new ATOM 0 HA GLN A 87 -8.467 34.504 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.542 33.047 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.203 33.054 10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.365 35.542 10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.659 35.560 8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.813 35.430 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.155 34.961 9.196 1.00 0.00 H new ATOM 1359 N LYS A 88 -7.245 35.602 10.319 1.00 0.00 N ATOM 1360 CA LYS A 88 -6.490 36.366 11.332 1.00 0.00 C ATOM 1361 C LYS A 88 -6.828 37.859 11.318 1.00 0.00 C ATOM 1362 O LYS A 88 -7.406 38.368 10.356 1.00 0.00 O ATOM 1363 CB LYS A 88 -4.978 36.082 11.169 1.00 0.00 C ATOM 1364 CG LYS A 88 -4.310 36.563 9.861 1.00 0.00 C ATOM 1365 CD LYS A 88 -3.867 38.038 9.885 1.00 0.00 C ATOM 1366 CE LYS A 88 -3.000 38.419 8.676 1.00 0.00 C ATOM 1367 NZ LYS A 88 -3.768 38.428 7.401 1.00 0.00 N ATOM 0 H LYS A 88 -7.293 36.085 9.422 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.793 36.027 12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.455 36.544 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.825 35.006 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.441 35.937 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.007 36.418 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.750 38.677 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.309 38.230 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.566 39.405 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.171 37.716 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.137 38.691 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.161 37.481 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.543 39.118 7.468 1.00 0.00 H new ATOM 1381 N GLU A 89 -6.421 38.571 12.366 1.00 0.00 N ATOM 1382 CA GLU A 89 -6.498 40.035 12.479 1.00 0.00 C ATOM 1383 C GLU A 89 -5.151 40.673 12.090 1.00 0.00 C ATOM 1384 O GLU A 89 -4.095 40.235 12.553 1.00 0.00 O ATOM 1385 CB GLU A 89 -6.891 40.431 13.912 1.00 0.00 C ATOM 1386 CG GLU A 89 -8.303 39.951 14.283 1.00 0.00 C ATOM 1387 CD GLU A 89 -8.694 40.418 15.698 1.00 0.00 C ATOM 1388 OE1 GLU A 89 -9.264 41.527 15.842 1.00 0.00 O ATOM 1389 OE2 GLU A 89 -8.444 39.675 16.680 1.00 0.00 O ATOM 0 H GLU A 89 -6.013 38.134 13.192 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.261 40.403 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.171 40.010 14.613 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.840 41.515 14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.022 40.333 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.346 38.863 14.231 1.00 0.00 H new ATOM 1396 N ILE A 90 -5.174 41.685 11.215 1.00 0.00 N ATOM 1397 CA ILE A 90 -3.977 42.363 10.684 1.00 0.00 C ATOM 1398 C ILE A 90 -3.225 43.099 11.812 1.00 0.00 C ATOM 1399 O ILE A 90 -3.706 44.101 12.344 1.00 0.00 O ATOM 1400 CB ILE A 90 -4.346 43.301 9.505 1.00 0.00 C ATOM 1401 CG1 ILE A 90 -5.004 42.492 8.357 1.00 0.00 C ATOM 1402 CG2 ILE A 90 -3.092 44.034 8.986 1.00 0.00 C ATOM 1403 CD1 ILE A 90 -5.509 43.339 7.180 1.00 0.00 C ATOM 0 H ILE A 90 -6.044 42.067 10.845 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.297 41.611 10.283 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.059 44.042 9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.281 41.768 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.841 41.925 8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.369 44.688 8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.660 44.629 9.790 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.360 43.303 8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.953 42.688 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.259 44.046 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.675 43.886 6.741 1.00 0.00 H new ATOM 1415 N SER A 91 -2.036 42.600 12.165 1.00 0.00 N ATOM 1416 CA SER A 91 -1.191 43.047 13.289 1.00 0.00 C ATOM 1417 C SER A 91 0.126 43.718 12.842 1.00 0.00 C ATOM 1418 O SER A 91 1.168 43.611 13.495 1.00 0.00 O ATOM 1419 CB SER A 91 -0.959 41.870 14.249 1.00 0.00 C ATOM 1420 OG SER A 91 -0.306 40.785 13.601 1.00 0.00 O ATOM 0 H SER A 91 -1.609 41.831 11.649 1.00 0.00 H new ATOM 0 HA SER A 91 -1.727 43.835 13.819 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.358 42.203 15.095 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.915 41.533 14.650 1.00 0.00 H new ATOM 0 HG SER A 91 -0.173 40.054 14.240 1.00 0.00 H new ATOM 1426 N THR A 92 0.111 44.376 11.677 1.00 0.00 N ATOM 1427 CA THR A 92 1.279 45.077 11.106 1.00 0.00 C ATOM 1428 C THR A 92 1.676 46.341 11.892 1.00 0.00 C ATOM 1429 O THR A 92 2.856 46.683 11.977 1.00 0.00 O ATOM 1430 CB THR A 92 1.039 45.381 9.614 1.00 0.00 C ATOM 1431 OG1 THR A 92 2.248 45.741 8.982 1.00 0.00 O ATOM 1432 CG2 THR A 92 0.020 46.493 9.346 1.00 0.00 C ATOM 0 H THR A 92 -0.722 44.441 11.092 1.00 0.00 H new ATOM 0 HA THR A 92 2.132 44.404 11.194 1.00 0.00 H new ATOM 0 HB THR A 92 0.629 44.457 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.079 45.929 8.035 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.085 46.639 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.944 46.213 9.770 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.363 47.420 9.806 1.00 0.00 H new ATOM 1440 N GLU A 93 0.718 47.027 12.529 1.00 0.00 N ATOM 1441 CA GLU A 93 0.979 48.258 13.296 1.00 0.00 C ATOM 1442 C GLU A 93 1.790 48.029 14.591 1.00 0.00 C ATOM 1443 O GLU A 93 2.560 48.904 14.993 1.00 0.00 O ATOM 1444 CB GLU A 93 -0.327 49.040 13.529 1.00 0.00 C ATOM 1445 CG GLU A 93 -1.398 48.331 14.375 1.00 0.00 C ATOM 1446 CD GLU A 93 -1.576 48.984 15.761 1.00 0.00 C ATOM 1447 OE1 GLU A 93 -0.724 48.780 16.660 1.00 0.00 O ATOM 1448 OE2 GLU A 93 -2.576 49.717 15.963 1.00 0.00 O ATOM 0 H GLU A 93 -0.262 46.746 12.529 1.00 0.00 H new ATOM 0 HA GLU A 93 1.632 48.879 12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.079 49.986 14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.760 49.281 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.349 48.349 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.123 47.284 14.502 1.00 0.00 H new ATOM 1455 N GLU A 94 1.730 46.836 15.193 1.00 0.00 N ATOM 1456 CA GLU A 94 2.622 46.436 16.290 1.00 0.00 C ATOM 1457 C GLU A 94 4.099 46.376 15.852 1.00 0.00 C ATOM 1458 O GLU A 94 4.985 46.779 16.611 1.00 0.00 O ATOM 1459 CB GLU A 94 2.200 45.077 16.882 1.00 0.00 C ATOM 1460 CG GLU A 94 0.917 45.120 17.733 1.00 0.00 C ATOM 1461 CD GLU A 94 -0.410 44.933 16.963 1.00 0.00 C ATOM 1462 OE1 GLU A 94 -0.453 45.068 15.717 1.00 0.00 O ATOM 1463 OE2 GLU A 94 -1.436 44.623 17.620 1.00 0.00 O ATOM 0 H GLU A 94 1.057 46.115 14.932 1.00 0.00 H new ATOM 0 HA GLU A 94 2.530 47.205 17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.056 44.369 16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.015 44.694 17.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.984 44.345 18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.881 46.077 18.253 1.00 0.00 H new ATOM 1470 N GLN A 95 4.385 45.926 14.621 1.00 0.00 N ATOM 1471 CA GLN A 95 5.745 45.950 14.063 1.00 0.00 C ATOM 1472 C GLN A 95 6.237 47.383 13.818 1.00 0.00 C ATOM 1473 O GLN A 95 7.403 47.678 14.079 1.00 0.00 O ATOM 1474 CB GLN A 95 5.844 45.130 12.765 1.00 0.00 C ATOM 1475 CG GLN A 95 5.496 43.647 12.967 1.00 0.00 C ATOM 1476 CD GLN A 95 5.874 42.796 11.754 1.00 0.00 C ATOM 1477 OE1 GLN A 95 5.599 43.124 10.606 1.00 0.00 O ATOM 1478 NE2 GLN A 95 6.532 41.671 11.949 1.00 0.00 N ATOM 0 H GLN A 95 3.685 45.538 13.988 1.00 0.00 H new ATOM 0 HA GLN A 95 6.392 45.490 14.810 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.173 45.557 12.019 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.856 45.210 12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.014 43.271 13.849 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.428 43.549 13.159 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.772 41.378 12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.802 41.093 11.153 1.00 0.00 H new ATOM 1487 N LEU A 96 5.358 48.298 13.386 1.00 0.00 N ATOM 1488 CA LEU A 96 5.682 49.723 13.232 1.00 0.00 C ATOM 1489 C LEU A 96 6.205 50.322 14.551 1.00 0.00 C ATOM 1490 O LEU A 96 7.223 51.018 14.557 1.00 0.00 O ATOM 1491 CB LEU A 96 4.447 50.494 12.724 1.00 0.00 C ATOM 1492 CG LEU A 96 4.819 51.829 12.051 1.00 0.00 C ATOM 1493 CD1 LEU A 96 5.226 51.609 10.592 1.00 0.00 C ATOM 1494 CD2 LEU A 96 3.636 52.797 12.079 1.00 0.00 C ATOM 0 H LEU A 96 4.397 48.069 13.132 1.00 0.00 H new ATOM 0 HA LEU A 96 6.479 49.817 12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.902 49.872 12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.775 50.687 13.560 1.00 0.00 H new ATOM 0 HG LEU A 96 5.656 52.250 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.484 52.566 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.088 50.944 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.396 51.161 10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.920 53.733 11.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.793 52.357 11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.350 52.992 13.113 1.00 0.00 H new ATOM 1506 N ARG A 97 5.543 50.009 15.676 1.00 0.00 N ATOM 1507 CA ARG A 97 5.945 50.449 17.022 1.00 0.00 C ATOM 1508 C ARG A 97 7.321 49.913 17.439 1.00 0.00 C ATOM 1509 O ARG A 97 8.100 50.660 18.031 1.00 0.00 O ATOM 1510 CB ARG A 97 4.856 50.064 18.045 1.00 0.00 C ATOM 1511 CG ARG A 97 4.978 50.825 19.378 1.00 0.00 C ATOM 1512 CD ARG A 97 4.570 52.300 19.235 1.00 0.00 C ATOM 1513 NE ARG A 97 4.956 53.104 20.411 1.00 0.00 N ATOM 1514 CZ ARG A 97 6.113 53.711 20.622 1.00 0.00 C ATOM 1515 NH1 ARG A 97 7.144 53.548 19.839 1.00 0.00 N ATOM 1516 NH2 ARG A 97 6.257 54.509 21.641 1.00 0.00 N ATOM 0 H ARG A 97 4.700 49.434 15.676 1.00 0.00 H new ATOM 0 HA ARG A 97 6.044 51.534 16.997 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.875 50.259 17.612 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.912 48.993 18.239 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.350 50.346 20.129 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.005 50.766 19.737 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.035 52.719 18.343 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.491 52.364 19.092 1.00 0.00 H new ATOM 0 HE ARG A 97 4.252 53.203 21.143 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.076 52.933 19.028 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.018 54.035 20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.477 54.667 22.279 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.150 54.976 21.801 1.00 0.00 H new ATOM 1530 N ARG A 98 7.633 48.651 17.111 1.00 0.00 N ATOM 1531 CA ARG A 98 8.948 48.014 17.333 1.00 0.00 C ATOM 1532 C ARG A 98 10.061 48.678 16.510 1.00 0.00 C ATOM 1533 O ARG A 98 11.138 48.952 17.040 1.00 0.00 O ATOM 1534 CB ARG A 98 8.838 46.503 17.038 1.00 0.00 C ATOM 1535 CG ARG A 98 10.092 45.721 17.474 1.00 0.00 C ATOM 1536 CD ARG A 98 9.993 44.223 17.152 1.00 0.00 C ATOM 1537 NE ARG A 98 8.949 43.541 17.947 1.00 0.00 N ATOM 1538 CZ ARG A 98 8.581 42.275 17.855 1.00 0.00 C ATOM 1539 NH1 ARG A 98 9.133 41.451 17.008 1.00 0.00 N ATOM 1540 NH2 ARG A 98 7.640 41.804 18.622 1.00 0.00 N ATOM 0 H ARG A 98 6.960 48.023 16.671 1.00 0.00 H new ATOM 0 HA ARG A 98 9.229 48.151 18.377 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.966 46.099 17.552 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.676 46.356 15.970 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.968 46.139 16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.242 45.850 18.546 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.778 44.096 16.091 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.956 43.750 17.341 1.00 0.00 H new ATOM 0 HE ARG A 98 8.461 44.108 18.640 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.875 41.777 16.389 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.823 40.480 16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.182 42.413 19.300 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.361 40.826 18.545 1.00 0.00 H new ATOM 1554 N LEU A 99 9.801 48.945 15.226 1.00 0.00 N ATOM 1555 CA LEU A 99 10.732 49.582 14.284 1.00 0.00 C ATOM 1556 C LEU A 99 11.068 51.038 14.662 1.00 0.00 C ATOM 1557 O LEU A 99 12.236 51.431 14.619 1.00 0.00 O ATOM 1558 CB LEU A 99 10.134 49.510 12.863 1.00 0.00 C ATOM 1559 CG LEU A 99 10.110 48.096 12.249 1.00 0.00 C ATOM 1560 CD1 LEU A 99 9.223 48.085 11.003 1.00 0.00 C ATOM 1561 CD2 LEU A 99 11.507 47.619 11.842 1.00 0.00 C ATOM 0 H LEU A 99 8.904 48.716 14.797 1.00 0.00 H new ATOM 0 HA LEU A 99 11.675 49.037 14.325 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.115 49.897 12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.707 50.167 12.208 1.00 0.00 H new ATOM 0 HG LEU A 99 9.720 47.425 13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.210 47.083 10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.209 48.376 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.617 48.789 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.440 46.618 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.924 48.302 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.154 47.596 12.719 1.00 0.00 H new ATOM 1573 N GLN A 100 10.063 51.842 15.024 1.00 0.00 N ATOM 1574 CA GLN A 100 10.218 53.243 15.441 1.00 0.00 C ATOM 1575 C GLN A 100 10.777 53.368 16.874 1.00 0.00 C ATOM 1576 O GLN A 100 10.028 53.405 17.853 1.00 0.00 O ATOM 1577 CB GLN A 100 8.875 53.985 15.286 1.00 0.00 C ATOM 1578 CG GLN A 100 8.484 54.222 13.816 1.00 0.00 C ATOM 1579 CD GLN A 100 9.439 55.163 13.073 1.00 0.00 C ATOM 1580 OE1 GLN A 100 9.992 56.110 13.618 1.00 0.00 O ATOM 1581 NE2 GLN A 100 9.686 54.941 11.799 1.00 0.00 N ATOM 0 H GLN A 100 9.092 51.530 15.036 1.00 0.00 H new ATOM 0 HA GLN A 100 10.954 53.712 14.788 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.090 53.410 15.777 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.935 54.945 15.799 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.454 53.264 13.297 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.476 54.636 13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.238 54.159 11.321 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.325 55.551 11.290 1.00 0.00 H new ATOM 1590 N GLU A 101 12.105 53.453 16.998 1.00 0.00 N ATOM 1591 CA GLU A 101 12.841 53.583 18.265 1.00 0.00 C ATOM 1592 C GLU A 101 13.921 54.681 18.182 1.00 0.00 C ATOM 1593 O GLU A 101 14.953 54.516 17.528 1.00 0.00 O ATOM 1594 CB GLU A 101 13.432 52.215 18.657 1.00 0.00 C ATOM 1595 CG GLU A 101 14.103 52.201 20.040 1.00 0.00 C ATOM 1596 CD GLU A 101 13.080 52.354 21.184 1.00 0.00 C ATOM 1597 OE1 GLU A 101 12.713 53.504 21.528 1.00 0.00 O ATOM 1598 OE2 GLU A 101 12.641 51.325 21.755 1.00 0.00 O ATOM 0 H GLU A 101 12.724 53.433 16.188 1.00 0.00 H new ATOM 0 HA GLU A 101 12.150 53.896 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.638 51.469 18.642 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.164 51.917 17.906 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.651 51.267 20.167 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.833 53.009 20.096 1.00 0.00 H new ATOM 1605 N GLU A 102 13.680 55.823 18.830 1.00 0.00 N ATOM 1606 CA GLU A 102 14.645 56.925 18.969 1.00 0.00 C ATOM 1607 C GLU A 102 15.795 56.545 19.926 1.00 0.00 C ATOM 1608 O GLU A 102 15.563 56.272 21.111 1.00 0.00 O ATOM 1609 CB GLU A 102 13.899 58.184 19.453 1.00 0.00 C ATOM 1610 CG GLU A 102 14.772 59.445 19.554 1.00 0.00 C ATOM 1611 CD GLU A 102 15.276 59.923 18.179 1.00 0.00 C ATOM 1612 OE1 GLU A 102 16.288 59.380 17.675 1.00 0.00 O ATOM 1613 OE2 GLU A 102 14.660 60.846 17.588 1.00 0.00 O ATOM 0 H GLU A 102 12.788 56.015 19.285 1.00 0.00 H new ATOM 0 HA GLU A 102 15.101 57.131 18.000 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.072 58.384 18.772 1.00 0.00 H new ATOM 0 HB3 GLU A 102 13.464 57.979 20.431 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.199 60.243 20.025 1.00 0.00 H new ATOM 0 HG3 GLU A 102 15.626 59.241 20.200 1.00 0.00 H new ATOM 1620 N LYS A 103 17.039 56.506 19.423 1.00 0.00 N ATOM 1621 CA LYS A 103 18.247 56.222 20.226 1.00 0.00 C ATOM 1622 C LYS A 103 18.533 57.304 21.287 1.00 0.00 C ATOM 1623 O LYS A 103 18.102 58.454 21.153 1.00 0.00 O ATOM 1624 CB LYS A 103 19.460 55.978 19.303 1.00 0.00 C ATOM 1625 CG LYS A 103 19.867 57.195 18.450 1.00 0.00 C ATOM 1626 CD LYS A 103 21.208 57.033 17.710 1.00 0.00 C ATOM 1627 CE LYS A 103 21.191 56.070 16.509 1.00 0.00 C ATOM 1628 NZ LYS A 103 21.330 54.640 16.897 1.00 0.00 N ATOM 0 H LYS A 103 17.240 56.672 18.437 1.00 0.00 H new ATOM 0 HA LYS A 103 18.056 55.308 20.789 1.00 0.00 H new ATOM 0 HB2 LYS A 103 20.311 55.677 19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.234 55.144 18.639 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.083 57.389 17.718 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.925 58.072 19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.532 58.014 17.362 1.00 0.00 H new ATOM 0 HD3 LYS A 103 21.956 56.685 18.422 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.258 56.201 15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 103 22.001 56.335 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.820 54.121 16.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.880 54.571 17.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.387 54.227 17.045 1.00 0.00 H new ATOM 1642 N LEU A 104 19.292 56.936 22.327 1.00 0.00 N ATOM 1643 CA LEU A 104 19.677 57.784 23.471 1.00 0.00 C ATOM 1644 C LEU A 104 21.142 57.521 23.879 1.00 0.00 C ATOM 1645 O LEU A 104 21.453 56.390 24.323 1.00 0.00 O ATOM 1646 CB LEU A 104 18.638 57.569 24.604 1.00 0.00 C ATOM 1647 CG LEU A 104 18.501 58.723 25.614 1.00 0.00 C ATOM 1648 CD1 LEU A 104 17.320 58.435 26.541 1.00 0.00 C ATOM 1649 CD2 LEU A 104 19.740 58.927 26.483 1.00 0.00 C ATOM 1650 OXT LEU A 104 21.979 58.434 23.700 1.00 0.00 O ATOM 0 H LEU A 104 19.675 55.993 22.401 1.00 0.00 H new ATOM 0 HA LEU A 104 19.654 58.842 23.209 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.664 57.392 24.149 1.00 0.00 H new ATOM 0 HB3 LEU A 104 18.905 56.664 25.149 1.00 0.00 H new ATOM 0 HG LEU A 104 18.357 59.631 25.028 1.00 0.00 H new ATOM 0 HD11 LEU A 104 17.215 59.247 27.260 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.407 58.352 25.952 1.00 0.00 H new ATOM 0 HD13 LEU A 104 17.495 57.500 27.073 1.00 0.00 H new ATOM 0 HD21 LEU A 104 19.570 59.756 27.170 1.00 0.00 H new ATOM 0 HD22 LEU A 104 19.939 58.019 27.052 1.00 0.00 H new ATOM 0 HD23 LEU A 104 20.597 59.152 25.848 1.00 0.00 H new TER 1662 LEU A 104