USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 509 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 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -164:sc= -0.187 (180deg=-0.612) USER MOD Set 2.1: A 5 SER OG : rot -48:sc= 0.1 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 31:sc= 0.717! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.6!) USER MOD Single : A 45 SER OG : rot 180:sc=-0.000264 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.384 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0.0981 (180deg=0.0619) USER MOD Single : A 58 MET CE :methyl -114:sc= -1.36 (180deg=-2.08!) USER MOD Single : A 59 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.97) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.018 -5.883 19.229 1.00 0.00 N ATOM 2 CA GLY A 1 -14.249 -6.735 20.119 1.00 0.00 C ATOM 3 C GLY A 1 -12.938 -7.181 19.505 1.00 0.00 C ATOM 4 O GLY A 1 -11.876 -6.663 19.851 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.905 -5.605 19.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.466 -5.032 19.000 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.234 -6.401 18.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.048 -6.199 21.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.842 -7.612 20.379 1.00 0.00 H new ATOM 8 N SER A 2 -13.010 -8.143 18.592 1.00 0.00 N ATOM 9 CA SER A 2 -11.818 -8.663 17.933 1.00 0.00 C ATOM 10 C SER A 2 -12.044 -8.801 16.430 1.00 0.00 C ATOM 11 O SER A 2 -13.120 -9.201 15.987 1.00 0.00 O ATOM 12 CB SER A 2 -11.429 -10.018 18.528 1.00 0.00 C ATOM 13 OG SER A 2 -12.261 -11.051 18.030 1.00 0.00 O ATOM 0 H SER A 2 -13.882 -8.579 18.291 1.00 0.00 H new ATOM 0 HA SER A 2 -11.005 -7.956 18.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.388 -10.238 18.290 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.505 -9.977 19.615 1.00 0.00 H new ATOM 0 HG SER A 2 -11.991 -11.907 18.424 1.00 0.00 H new ATOM 19 N SER A 3 -11.021 -8.466 15.651 1.00 0.00 N ATOM 20 CA SER A 3 -11.107 -8.548 14.197 1.00 0.00 C ATOM 21 C SER A 3 -9.859 -9.203 13.614 1.00 0.00 C ATOM 22 O SER A 3 -8.762 -8.655 13.694 1.00 0.00 O ATOM 23 CB SER A 3 -11.292 -7.154 13.596 1.00 0.00 C ATOM 24 OG SER A 3 -10.090 -6.406 13.663 1.00 0.00 O ATOM 0 H SER A 3 -10.122 -8.135 16.002 1.00 0.00 H new ATOM 0 HA SER A 3 -11.971 -9.163 13.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.612 -7.242 12.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.083 -6.626 14.130 1.00 0.00 H new ATOM 0 HG SER A 3 -9.323 -7.012 13.596 1.00 0.00 H new ATOM 30 N GLY A 4 -10.037 -10.384 13.028 1.00 0.00 N ATOM 31 CA GLY A 4 -8.918 -11.096 12.440 1.00 0.00 C ATOM 32 C GLY A 4 -8.451 -10.472 11.140 1.00 0.00 C ATOM 33 O GLY A 4 -9.252 -9.917 10.387 1.00 0.00 O ATOM 0 H GLY A 4 -10.936 -10.860 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.090 -11.114 13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.205 -12.132 12.259 1.00 0.00 H new ATOM 37 N SER A 5 -7.152 -10.561 10.875 1.00 0.00 N ATOM 38 CA SER A 5 -6.579 -9.995 9.660 1.00 0.00 C ATOM 39 C SER A 5 -6.907 -10.864 8.449 1.00 0.00 C ATOM 40 O SER A 5 -6.162 -11.784 8.112 1.00 0.00 O ATOM 41 CB SER A 5 -5.062 -9.853 9.804 1.00 0.00 C ATOM 42 OG SER A 5 -4.681 -8.489 9.864 1.00 0.00 O ATOM 0 H SER A 5 -6.476 -11.020 11.486 1.00 0.00 H new ATOM 0 HA SER A 5 -7.016 -9.008 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.729 -10.367 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.567 -10.336 8.961 1.00 0.00 H new ATOM 0 HG SER A 5 -5.116 -7.996 9.137 1.00 0.00 H new ATOM 48 N SER A 6 -8.027 -10.563 7.800 1.00 0.00 N ATOM 49 CA SER A 6 -8.457 -11.319 6.629 1.00 0.00 C ATOM 50 C SER A 6 -9.548 -10.569 5.870 1.00 0.00 C ATOM 51 O SER A 6 -9.427 -10.319 4.671 1.00 0.00 O ATOM 52 CB SER A 6 -8.967 -12.700 7.045 1.00 0.00 C ATOM 53 OG SER A 6 -8.803 -13.641 5.998 1.00 0.00 O ATOM 0 H SER A 6 -8.653 -9.802 8.065 1.00 0.00 H new ATOM 0 HA SER A 6 -7.597 -11.441 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.428 -13.039 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.020 -12.635 7.318 1.00 0.00 H new ATOM 0 HG SER A 6 -9.135 -14.516 6.289 1.00 0.00 H new ATOM 59 N GLY A 7 -10.615 -10.213 6.579 1.00 0.00 N ATOM 60 CA GLY A 7 -11.714 -9.496 5.956 1.00 0.00 C ATOM 61 C GLY A 7 -11.431 -8.013 5.814 1.00 0.00 C ATOM 62 O GLY A 7 -10.307 -7.615 5.508 1.00 0.00 O ATOM 0 H GLY A 7 -10.739 -10.408 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.910 -9.921 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.618 -9.635 6.549 1.00 0.00 H new ATOM 66 N VAL A 8 -12.454 -7.194 6.035 1.00 0.00 N ATOM 67 CA VAL A 8 -12.311 -5.747 5.930 1.00 0.00 C ATOM 68 C VAL A 8 -11.567 -5.179 7.133 1.00 0.00 C ATOM 69 O VAL A 8 -11.360 -3.970 7.236 1.00 0.00 O ATOM 70 CB VAL A 8 -13.682 -5.054 5.813 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.285 -5.292 4.436 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.620 -5.542 6.906 1.00 0.00 C ATOM 0 H VAL A 8 -13.391 -7.508 6.288 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.735 -5.551 5.025 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.539 -3.981 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.253 -4.795 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.619 -4.889 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.415 -6.362 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.584 -5.042 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.759 -6.619 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.191 -5.315 7.882 1.00 0.00 H new ATOM 82 N GLY A 9 -11.168 -6.060 8.045 1.00 0.00 N ATOM 83 CA GLY A 9 -10.451 -5.628 9.231 1.00 0.00 C ATOM 84 C GLY A 9 -9.049 -5.144 8.917 1.00 0.00 C ATOM 85 O GLY A 9 -8.526 -4.254 9.587 1.00 0.00 O ATOM 0 H GLY A 9 -11.328 -7.065 7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.008 -4.827 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.397 -6.454 9.940 1.00 0.00 H new ATOM 89 N THR A 10 -8.436 -5.733 7.894 1.00 0.00 N ATOM 90 CA THR A 10 -7.086 -5.361 7.494 1.00 0.00 C ATOM 91 C THR A 10 -7.082 -4.034 6.743 1.00 0.00 C ATOM 92 O THR A 10 -6.206 -3.194 6.952 1.00 0.00 O ATOM 93 CB THR A 10 -6.443 -6.443 6.607 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.361 -7.680 7.324 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.053 -6.019 6.157 1.00 0.00 C ATOM 0 H THR A 10 -8.855 -6.471 7.328 1.00 0.00 H new ATOM 0 HA THR A 10 -6.502 -5.260 8.409 1.00 0.00 H new ATOM 0 HB THR A 10 -7.068 -6.576 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.952 -8.363 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.619 -6.799 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.122 -5.093 5.586 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.420 -5.860 7.030 1.00 0.00 H new ATOM 103 N ILE A 11 -8.065 -3.853 5.868 1.00 0.00 N ATOM 104 CA ILE A 11 -8.174 -2.628 5.086 1.00 0.00 C ATOM 105 C ILE A 11 -8.342 -1.411 5.991 1.00 0.00 C ATOM 106 O ILE A 11 -7.608 -0.430 5.870 1.00 0.00 O ATOM 107 CB ILE A 11 -9.360 -2.690 4.105 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.193 -3.869 3.145 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.478 -1.384 3.333 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.421 -4.748 3.047 1.00 0.00 C ATOM 0 H ILE A 11 -8.797 -4.539 5.683 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.248 -2.532 4.519 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.277 -2.836 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.949 -3.488 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.347 -4.475 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.321 -1.443 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.637 -0.562 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.561 -1.210 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.230 -5.563 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.654 -5.159 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.265 -4.156 2.692 1.00 0.00 H new ATOM 122 N ASP A 12 -9.310 -1.485 6.898 1.00 0.00 N ATOM 123 CA ASP A 12 -9.572 -0.391 7.826 1.00 0.00 C ATOM 124 C ASP A 12 -8.268 0.204 8.348 1.00 0.00 C ATOM 125 O ASP A 12 -8.167 1.411 8.562 1.00 0.00 O ATOM 126 CB ASP A 12 -10.427 -0.880 8.995 1.00 0.00 C ATOM 127 CG ASP A 12 -11.304 0.216 9.570 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.848 1.378 9.615 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.445 -0.088 9.973 1.00 0.00 O ATOM 0 H ASP A 12 -9.926 -2.290 7.010 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.115 0.386 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.055 -1.706 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.777 -1.270 9.778 1.00 0.00 H new ATOM 134 N GLN A 13 -7.272 -0.654 8.550 1.00 0.00 N ATOM 135 CA GLN A 13 -5.975 -0.213 9.049 1.00 0.00 C ATOM 136 C GLN A 13 -5.077 0.242 7.904 1.00 0.00 C ATOM 137 O GLN A 13 -4.439 1.293 7.980 1.00 0.00 O ATOM 138 CB GLN A 13 -5.295 -1.340 9.829 1.00 0.00 C ATOM 139 CG GLN A 13 -5.987 -1.677 11.140 1.00 0.00 C ATOM 140 CD GLN A 13 -5.050 -1.606 12.330 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.467 -2.611 12.736 1.00 0.00 O ATOM 142 NE2 GLN A 13 -4.901 -0.414 12.896 1.00 0.00 N ATOM 0 H GLN A 13 -7.339 -1.657 8.376 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.139 0.633 9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.262 -2.233 9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.263 -1.056 10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.818 -0.989 11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.411 -2.679 11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.404 0.393 12.526 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.283 -0.305 13.700 1.00 0.00 H new ATOM 151 N LEU A 14 -5.032 -0.555 6.841 1.00 0.00 N ATOM 152 CA LEU A 14 -4.212 -0.234 5.678 1.00 0.00 C ATOM 153 C LEU A 14 -4.490 1.185 5.191 1.00 0.00 C ATOM 154 O LEU A 14 -3.613 2.048 5.229 1.00 0.00 O ATOM 155 CB LEU A 14 -4.477 -1.233 4.551 1.00 0.00 C ATOM 156 CG LEU A 14 -3.812 -0.924 3.210 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.303 -0.829 3.371 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.175 -1.983 2.179 1.00 0.00 C ATOM 0 H LEU A 14 -5.554 -1.428 6.761 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.165 -0.299 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.145 -2.218 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.554 -1.296 4.394 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.180 0.040 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.847 -0.609 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.062 -0.034 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.917 -1.777 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.693 -1.747 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.836 -2.959 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.256 -2.002 2.042 1.00 0.00 H new ATOM 170 N VAL A 15 -5.716 1.419 4.735 1.00 0.00 N ATOM 171 CA VAL A 15 -6.111 2.733 4.243 1.00 0.00 C ATOM 172 C VAL A 15 -5.597 3.840 5.157 1.00 0.00 C ATOM 173 O VAL A 15 -5.049 4.841 4.694 1.00 0.00 O ATOM 174 CB VAL A 15 -7.641 2.851 4.122 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.058 4.310 4.015 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.144 2.056 2.927 1.00 0.00 C ATOM 0 H VAL A 15 -6.453 0.715 4.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.667 2.847 3.254 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.092 2.434 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.143 4.373 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.732 4.848 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.599 4.756 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.228 2.151 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.686 2.441 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.879 1.006 3.051 1.00 0.00 H new ATOM 186 N LYS A 16 -5.777 3.652 6.461 1.00 0.00 N ATOM 187 CA LYS A 16 -5.331 4.633 7.444 1.00 0.00 C ATOM 188 C LYS A 16 -3.873 5.014 7.209 1.00 0.00 C ATOM 189 O LYS A 16 -3.486 6.169 7.391 1.00 0.00 O ATOM 190 CB LYS A 16 -5.502 4.080 8.861 1.00 0.00 C ATOM 191 CG LYS A 16 -4.189 3.750 9.548 1.00 0.00 C ATOM 192 CD LYS A 16 -4.415 3.055 10.880 1.00 0.00 C ATOM 193 CE LYS A 16 -3.529 3.636 11.971 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.195 4.758 12.688 1.00 0.00 N ATOM 0 H LYS A 16 -6.228 2.829 6.861 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.945 5.527 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.044 4.809 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.116 3.181 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.589 3.111 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.620 4.666 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.461 3.153 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.212 1.989 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.270 2.853 12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.596 3.989 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.559 5.126 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.420 5.517 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.072 4.416 13.129 1.00 0.00 H new ATOM 208 N ARG A 17 -3.069 4.037 6.803 1.00 0.00 N ATOM 209 CA ARG A 17 -1.653 4.271 6.542 1.00 0.00 C ATOM 210 C ARG A 17 -1.466 5.198 5.345 1.00 0.00 C ATOM 211 O ARG A 17 -1.056 6.349 5.494 1.00 0.00 O ATOM 212 CB ARG A 17 -0.933 2.945 6.292 1.00 0.00 C ATOM 213 CG ARG A 17 -1.335 1.841 7.256 1.00 0.00 C ATOM 214 CD ARG A 17 -0.526 0.575 7.022 1.00 0.00 C ATOM 215 NE ARG A 17 -0.416 -0.235 8.232 1.00 0.00 N ATOM 216 CZ ARG A 17 0.261 0.144 9.311 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.883 1.314 9.330 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.315 -0.649 10.374 1.00 0.00 N ATOM 0 H ARG A 17 -3.373 3.076 6.648 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.222 4.751 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.137 2.617 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.143 3.106 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.191 2.182 8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.396 1.623 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.994 -0.014 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.471 0.841 6.672 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.884 -1.141 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.843 1.926 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.402 1.602 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.163 -1.550 10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.835 -0.358 11.202 1.00 0.00 H new ATOM 232 N VAL A 18 -1.771 4.688 4.155 1.00 0.00 N ATOM 233 CA VAL A 18 -1.638 5.470 2.932 1.00 0.00 C ATOM 234 C VAL A 18 -2.066 6.916 3.154 1.00 0.00 C ATOM 235 O VAL A 18 -1.615 7.822 2.453 1.00 0.00 O ATOM 236 CB VAL A 18 -2.474 4.868 1.787 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.945 3.496 1.403 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.942 4.791 2.184 1.00 0.00 C ATOM 0 H VAL A 18 -2.112 3.737 4.013 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.584 5.445 2.654 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.389 5.519 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.549 3.087 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.909 3.584 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.997 2.831 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.519 4.363 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.047 4.162 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.312 5.792 2.405 1.00 0.00 H new ATOM 248 N ILE A 19 -2.939 7.125 4.134 1.00 0.00 N ATOM 249 CA ILE A 19 -3.427 8.461 4.450 1.00 0.00 C ATOM 250 C ILE A 19 -2.367 9.274 5.183 1.00 0.00 C ATOM 251 O ILE A 19 -1.934 10.322 4.705 1.00 0.00 O ATOM 252 CB ILE A 19 -4.703 8.405 5.311 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.833 7.717 4.543 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.118 9.807 5.733 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.606 8.651 3.639 1.00 0.00 C ATOM 0 H ILE A 19 -3.323 6.386 4.723 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.660 8.945 3.501 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.493 7.823 6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.414 6.909 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.521 7.262 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.021 9.752 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.317 10.264 6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.314 10.411 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.391 8.095 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.054 9.446 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.930 9.087 2.903 1.00 0.00 H new ATOM 267 N GLU A 20 -1.952 8.783 6.346 1.00 0.00 N ATOM 268 CA GLU A 20 -0.940 9.466 7.147 1.00 0.00 C ATOM 269 C GLU A 20 0.445 9.296 6.530 1.00 0.00 C ATOM 270 O GLU A 20 1.403 9.947 6.943 1.00 0.00 O ATOM 271 CB GLU A 20 -0.944 8.929 8.579 1.00 0.00 C ATOM 272 CG GLU A 20 -2.323 8.531 9.077 1.00 0.00 C ATOM 273 CD GLU A 20 -2.677 9.187 10.398 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.625 10.433 10.473 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.004 8.455 11.356 1.00 0.00 O ATOM 0 H GLU A 20 -2.300 7.916 6.755 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.182 10.529 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.283 8.064 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.532 9.688 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.068 8.803 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.366 7.448 9.190 1.00 0.00 H new ATOM 282 N GLY A 21 0.542 8.414 5.539 1.00 0.00 N ATOM 283 CA GLY A 21 1.813 8.174 4.882 1.00 0.00 C ATOM 284 C GLY A 21 2.757 7.346 5.732 1.00 0.00 C ATOM 285 O GLY A 21 3.856 7.003 5.295 1.00 0.00 O ATOM 0 H GLY A 21 -0.237 7.862 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.638 7.663 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.283 9.129 4.647 1.00 0.00 H new ATOM 289 N SER A 22 2.328 7.026 6.948 1.00 0.00 N ATOM 290 CA SER A 22 3.146 6.238 7.863 1.00 0.00 C ATOM 291 C SER A 22 3.891 5.137 7.116 1.00 0.00 C ATOM 292 O SER A 22 4.950 4.681 7.550 1.00 0.00 O ATOM 293 CB SER A 22 2.273 5.625 8.961 1.00 0.00 C ATOM 294 OG SER A 22 3.032 4.765 9.794 1.00 0.00 O ATOM 0 H SER A 22 1.420 7.300 7.323 1.00 0.00 H new ATOM 0 HA SER A 22 3.879 6.903 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.827 6.418 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.452 5.068 8.509 1.00 0.00 H new ATOM 0 HG SER A 22 2.453 4.387 10.488 1.00 0.00 H new ATOM 300 N LEU A 23 3.330 4.712 5.988 1.00 0.00 N ATOM 301 CA LEU A 23 3.940 3.664 5.178 1.00 0.00 C ATOM 302 C LEU A 23 4.692 4.261 3.992 1.00 0.00 C ATOM 303 O LEU A 23 4.218 5.200 3.352 1.00 0.00 O ATOM 304 CB LEU A 23 2.871 2.689 4.680 1.00 0.00 C ATOM 305 CG LEU A 23 2.241 3.017 3.326 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.630 1.771 2.706 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.193 4.110 3.476 1.00 0.00 C ATOM 0 H LEU A 23 2.454 5.077 5.614 1.00 0.00 H new ATOM 0 HA LEU A 23 4.652 3.125 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.314 1.695 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.077 2.640 5.425 1.00 0.00 H new ATOM 0 HG LEU A 23 3.024 3.382 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.186 2.024 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.405 1.019 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.859 1.376 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.755 4.330 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.412 3.774 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.660 5.010 3.876 1.00 0.00 H new ATOM 319 N SER A 24 5.865 3.706 3.703 1.00 0.00 N ATOM 320 CA SER A 24 6.683 4.184 2.594 1.00 0.00 C ATOM 321 C SER A 24 5.881 4.207 1.296 1.00 0.00 C ATOM 322 O SER A 24 4.865 3.527 1.153 1.00 0.00 O ATOM 323 CB SER A 24 7.921 3.300 2.426 1.00 0.00 C ATOM 324 OG SER A 24 9.091 3.974 2.853 1.00 0.00 O ATOM 0 H SER A 24 6.270 2.926 4.221 1.00 0.00 H new ATOM 0 HA SER A 24 7.000 5.201 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.797 2.382 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.026 3.010 1.380 1.00 0.00 H new ATOM 0 HG SER A 24 9.867 3.387 2.737 1.00 0.00 H new ATOM 330 N PRO A 25 6.347 5.008 0.327 1.00 0.00 N ATOM 331 CA PRO A 25 5.689 5.139 -0.976 1.00 0.00 C ATOM 332 C PRO A 25 5.821 3.877 -1.822 1.00 0.00 C ATOM 333 O PRO A 25 5.010 3.627 -2.714 1.00 0.00 O ATOM 334 CB PRO A 25 6.435 6.303 -1.634 1.00 0.00 C ATOM 335 CG PRO A 25 7.775 6.311 -0.984 1.00 0.00 C ATOM 336 CD PRO A 25 7.552 5.848 0.429 1.00 0.00 C ATOM 0 HA PRO A 25 4.616 5.303 -0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.519 6.161 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.913 7.247 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.466 5.650 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.212 7.309 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.405 5.283 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.400 6.687 1.108 1.00 0.00 H new ATOM 344 N LYS A 26 6.848 3.084 -1.536 1.00 0.00 N ATOM 345 CA LYS A 26 7.085 1.845 -2.268 1.00 0.00 C ATOM 346 C LYS A 26 6.230 0.711 -1.710 1.00 0.00 C ATOM 347 O LYS A 26 5.776 -0.158 -2.454 1.00 0.00 O ATOM 348 CB LYS A 26 8.565 1.464 -2.200 1.00 0.00 C ATOM 349 CG LYS A 26 8.952 0.350 -3.156 1.00 0.00 C ATOM 350 CD LYS A 26 8.902 0.815 -4.603 1.00 0.00 C ATOM 351 CE LYS A 26 9.588 -0.177 -5.530 1.00 0.00 C ATOM 352 NZ LYS A 26 8.651 -1.233 -6.002 1.00 0.00 N ATOM 0 H LYS A 26 7.530 3.277 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 26 6.806 2.008 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.168 2.345 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.806 1.158 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.957 -0.001 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.279 -0.497 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.864 0.943 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.383 1.789 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.000 0.353 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.426 -0.641 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.156 -1.889 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.277 -1.756 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.864 -0.793 -6.521 1.00 0.00 H new ATOM 366 N GLU A 27 6.016 0.727 -0.399 1.00 0.00 N ATOM 367 CA GLU A 27 5.215 -0.300 0.257 1.00 0.00 C ATOM 368 C GLU A 27 3.844 -0.422 -0.400 1.00 0.00 C ATOM 369 O GLU A 27 3.366 -1.526 -0.664 1.00 0.00 O ATOM 370 CB GLU A 27 5.053 0.019 1.744 1.00 0.00 C ATOM 371 CG GLU A 27 5.957 -0.807 2.645 1.00 0.00 C ATOM 372 CD GLU A 27 5.284 -2.070 3.145 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.056 -2.037 3.374 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.984 -3.091 3.307 1.00 0.00 O ATOM 0 H GLU A 27 6.386 1.440 0.230 1.00 0.00 H new ATOM 0 HA GLU A 27 5.736 -1.252 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.262 1.077 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.015 -0.149 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.862 -1.074 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.265 -0.202 3.498 1.00 0.00 H new ATOM 381 N ARG A 28 3.215 0.719 -0.662 1.00 0.00 N ATOM 382 CA ARG A 28 1.898 0.740 -1.287 1.00 0.00 C ATOM 383 C ARG A 28 1.900 -0.055 -2.588 1.00 0.00 C ATOM 384 O ARG A 28 1.013 -0.873 -2.831 1.00 0.00 O ATOM 385 CB ARG A 28 1.463 2.182 -1.558 1.00 0.00 C ATOM 386 CG ARG A 28 1.103 2.957 -0.300 1.00 0.00 C ATOM 387 CD ARG A 28 0.432 4.279 -0.634 1.00 0.00 C ATOM 388 NE ARG A 28 -0.870 4.088 -1.268 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.607 5.084 -1.746 1.00 0.00 C ATOM 390 NH1 ARG A 28 -1.173 6.334 -1.664 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.782 4.830 -2.310 1.00 0.00 N ATOM 0 H ARG A 28 3.596 1.641 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 28 1.190 0.276 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.267 2.703 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.603 2.173 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.438 2.357 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.004 3.142 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.309 4.863 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.077 4.855 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.233 3.138 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.270 6.533 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.742 7.096 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.119 3.870 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.348 5.595 -2.677 1.00 0.00 H new ATOM 405 N THR A 29 2.905 0.191 -3.425 1.00 0.00 N ATOM 406 CA THR A 29 3.021 -0.500 -4.703 1.00 0.00 C ATOM 407 C THR A 29 3.302 -1.984 -4.501 1.00 0.00 C ATOM 408 O THR A 29 3.081 -2.797 -5.400 1.00 0.00 O ATOM 409 CB THR A 29 4.140 0.109 -5.570 1.00 0.00 C ATOM 410 OG1 THR A 29 3.694 1.340 -6.150 1.00 0.00 O ATOM 411 CG2 THR A 29 4.557 -0.855 -6.671 1.00 0.00 C ATOM 0 H THR A 29 3.649 0.863 -3.240 1.00 0.00 H new ATOM 0 HA THR A 29 2.067 -0.380 -5.216 1.00 0.00 H new ATOM 0 HB THR A 29 5.002 0.300 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.411 1.722 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.348 -0.403 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.923 -1.780 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.700 -1.073 -7.308 1.00 0.00 H new ATOM 419 N LEU A 30 3.790 -2.334 -3.315 1.00 0.00 N ATOM 420 CA LEU A 30 4.101 -3.723 -2.995 1.00 0.00 C ATOM 421 C LEU A 30 2.871 -4.444 -2.452 1.00 0.00 C ATOM 422 O LEU A 30 2.752 -5.664 -2.569 1.00 0.00 O ATOM 423 CB LEU A 30 5.237 -3.789 -1.973 1.00 0.00 C ATOM 424 CG LEU A 30 6.590 -3.247 -2.437 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.553 -3.144 -1.265 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.170 -4.130 -3.532 1.00 0.00 C ATOM 0 H LEU A 30 3.979 -1.675 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 30 4.416 -4.220 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.932 -3.236 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.368 -4.828 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 30 6.440 -2.248 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.510 -2.757 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.141 -2.470 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.699 -4.131 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.133 -3.730 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.306 -5.142 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.487 -4.152 -4.381 1.00 0.00 H new ATOM 438 N LEU A 31 1.957 -3.682 -1.861 1.00 0.00 N ATOM 439 CA LEU A 31 0.734 -4.248 -1.303 1.00 0.00 C ATOM 440 C LEU A 31 0.078 -5.208 -2.290 1.00 0.00 C ATOM 441 O LEU A 31 -0.466 -6.241 -1.901 1.00 0.00 O ATOM 442 CB LEU A 31 -0.244 -3.133 -0.932 1.00 0.00 C ATOM 443 CG LEU A 31 0.193 -2.206 0.202 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.724 -0.996 0.287 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.214 -2.955 1.526 1.00 0.00 C ATOM 0 H LEU A 31 2.040 -2.671 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 31 0.998 -4.805 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.426 -2.527 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.195 -3.588 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 31 1.203 -1.856 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.397 -0.348 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.688 -0.445 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.746 -1.326 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.527 -2.279 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.784 -3.335 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.914 -3.788 1.461 1.00 0.00 H new ATOM 457 N LYS A 32 0.135 -4.861 -3.572 1.00 0.00 N ATOM 458 CA LYS A 32 -0.450 -5.692 -4.617 1.00 0.00 C ATOM 459 C LYS A 32 0.253 -7.043 -4.695 1.00 0.00 C ATOM 460 O LYS A 32 -0.382 -8.070 -4.938 1.00 0.00 O ATOM 461 CB LYS A 32 -0.365 -4.982 -5.970 1.00 0.00 C ATOM 462 CG LYS A 32 -0.760 -3.516 -5.914 1.00 0.00 C ATOM 463 CD LYS A 32 -1.779 -3.173 -6.987 1.00 0.00 C ATOM 464 CE LYS A 32 -2.284 -1.745 -6.839 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.949 -0.913 -8.028 1.00 0.00 N ATOM 0 H LYS A 32 0.581 -4.009 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.498 -5.861 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.654 -5.061 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.010 -5.497 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.173 -3.287 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.126 -2.894 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.329 -3.301 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.619 -3.865 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.364 -1.755 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.848 -1.296 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.310 0.052 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.917 -0.883 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.386 -1.327 -8.876 1.00 0.00 H new ATOM 479 N GLU A 33 1.566 -7.035 -4.486 1.00 0.00 N ATOM 480 CA GLU A 33 2.353 -8.261 -4.532 1.00 0.00 C ATOM 481 C GLU A 33 1.982 -9.191 -3.380 1.00 0.00 C ATOM 482 O GLU A 33 2.320 -10.374 -3.389 1.00 0.00 O ATOM 483 CB GLU A 33 3.847 -7.936 -4.478 1.00 0.00 C ATOM 484 CG GLU A 33 4.287 -6.916 -5.515 1.00 0.00 C ATOM 485 CD GLU A 33 5.733 -7.096 -5.935 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.087 -8.207 -6.379 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.509 -6.125 -5.819 1.00 0.00 O ATOM 0 H GLU A 33 2.106 -6.194 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 33 2.132 -8.769 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.093 -7.561 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.415 -8.855 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.645 -6.996 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.152 -5.912 -5.112 1.00 0.00 H new ATOM 494 N ASP A 34 1.285 -8.646 -2.389 1.00 0.00 N ATOM 495 CA ASP A 34 0.867 -9.424 -1.229 1.00 0.00 C ATOM 496 C ASP A 34 -0.493 -10.071 -1.471 1.00 0.00 C ATOM 497 O ASP A 34 -1.382 -9.490 -2.093 1.00 0.00 O ATOM 498 CB ASP A 34 0.809 -8.535 0.015 1.00 0.00 C ATOM 499 CG ASP A 34 1.315 -9.243 1.256 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.543 -9.239 1.483 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.483 -9.803 2.001 1.00 0.00 O ATOM 0 H ASP A 34 0.997 -7.668 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 34 1.602 -10.213 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.403 -7.637 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.219 -8.211 0.179 1.00 0.00 H new ATOM 506 N PRO A 35 -0.660 -11.303 -0.968 1.00 0.00 N ATOM 507 CA PRO A 35 -1.908 -12.057 -1.117 1.00 0.00 C ATOM 508 C PRO A 35 -3.046 -11.461 -0.295 1.00 0.00 C ATOM 509 O PRO A 35 -4.212 -11.538 -0.685 1.00 0.00 O ATOM 510 CB PRO A 35 -1.545 -13.451 -0.598 1.00 0.00 C ATOM 511 CG PRO A 35 -0.412 -13.222 0.341 1.00 0.00 C ATOM 512 CD PRO A 35 0.358 -12.056 -0.215 1.00 0.00 C ATOM 0 HA PRO A 35 -2.268 -12.052 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.390 -13.918 -0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.256 -14.114 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.775 -13.006 1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.219 -14.107 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.800 -11.452 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.174 -12.384 -0.859 1.00 0.00 H new ATOM 520 N ALA A 36 -2.700 -10.869 0.843 1.00 0.00 N ATOM 521 CA ALA A 36 -3.693 -10.258 1.719 1.00 0.00 C ATOM 522 C ALA A 36 -4.431 -9.128 1.008 1.00 0.00 C ATOM 523 O ALA A 36 -5.568 -8.803 1.353 1.00 0.00 O ATOM 524 CB ALA A 36 -3.032 -9.743 2.988 1.00 0.00 C ATOM 0 H ALA A 36 -1.740 -10.799 1.180 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.423 -11.021 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.785 -9.290 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.557 -10.572 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.279 -8.998 2.730 1.00 0.00 H new ATOM 530 N TYR A 37 -3.778 -8.534 0.016 1.00 0.00 N ATOM 531 CA TYR A 37 -4.371 -7.438 -0.740 1.00 0.00 C ATOM 532 C TYR A 37 -4.610 -7.845 -2.191 1.00 0.00 C ATOM 533 O TYR A 37 -4.182 -7.158 -3.118 1.00 0.00 O ATOM 534 CB TYR A 37 -3.468 -6.205 -0.687 1.00 0.00 C ATOM 535 CG TYR A 37 -3.064 -5.810 0.715 1.00 0.00 C ATOM 536 CD1 TYR A 37 -4.009 -5.371 1.634 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.737 -5.878 1.123 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.644 -5.009 2.916 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.364 -5.519 2.403 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.321 -5.084 3.296 1.00 0.00 C ATOM 541 OH TYR A 37 -1.954 -4.725 4.573 1.00 0.00 O ATOM 0 H TYR A 37 -2.838 -8.793 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.332 -7.195 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.570 -6.397 -1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.983 -5.367 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.047 -5.312 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.985 -6.218 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.392 -4.669 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.328 -5.578 2.703 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.986 -4.837 4.679 1.00 0.00 H new ATOM 551 N TRP A 38 -5.298 -8.965 -2.378 1.00 0.00 N ATOM 552 CA TRP A 38 -5.596 -9.464 -3.716 1.00 0.00 C ATOM 553 C TRP A 38 -6.756 -8.694 -4.339 1.00 0.00 C ATOM 554 O TRP A 38 -6.814 -8.516 -5.556 1.00 0.00 O ATOM 555 CB TRP A 38 -5.928 -10.957 -3.664 1.00 0.00 C ATOM 556 CG TRP A 38 -7.153 -11.264 -2.856 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.192 -11.797 -1.599 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.514 -11.061 -3.252 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.497 -11.936 -1.189 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.326 -11.491 -2.184 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.125 -10.555 -4.401 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.716 -11.431 -2.236 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.505 -10.496 -4.451 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.288 -10.932 -3.375 1.00 0.00 C ATOM 0 H TRP A 38 -5.660 -9.545 -1.621 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.712 -9.317 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.069 -11.326 -4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.079 -11.497 -3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.326 -12.069 -1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.799 -12.310 -0.289 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.530 -10.216 -5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.321 -11.766 -1.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.988 -10.107 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.364 -10.873 -3.445 1.00 0.00 H new ATOM 575 N PHE A 39 -7.678 -8.239 -3.496 1.00 0.00 N ATOM 576 CA PHE A 39 -8.837 -7.489 -3.965 1.00 0.00 C ATOM 577 C PHE A 39 -8.404 -6.262 -4.764 1.00 0.00 C ATOM 578 O PHE A 39 -9.106 -5.822 -5.675 1.00 0.00 O ATOM 579 CB PHE A 39 -9.705 -7.059 -2.781 1.00 0.00 C ATOM 580 CG PHE A 39 -8.952 -6.294 -1.731 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.686 -4.944 -1.895 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.510 -6.925 -0.579 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.992 -4.239 -0.931 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.816 -6.224 0.389 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.558 -4.879 0.214 1.00 0.00 C ATOM 0 H PHE A 39 -7.645 -8.377 -2.486 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.420 -8.139 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.527 -6.444 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.149 -7.944 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.025 -4.437 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.710 -7.977 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.789 -3.188 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.476 -6.728 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.018 -4.328 0.970 1.00 0.00 H new ATOM 595 N LEU A 40 -7.245 -5.716 -4.416 1.00 0.00 N ATOM 596 CA LEU A 40 -6.717 -4.540 -5.099 1.00 0.00 C ATOM 597 C LEU A 40 -7.022 -4.595 -6.592 1.00 0.00 C ATOM 598 O LEU A 40 -7.489 -3.618 -7.177 1.00 0.00 O ATOM 599 CB LEU A 40 -5.207 -4.433 -4.879 1.00 0.00 C ATOM 600 CG LEU A 40 -4.752 -4.224 -3.434 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.241 -4.357 -3.326 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.207 -2.866 -2.923 1.00 0.00 C ATOM 0 H LEU A 40 -6.652 -6.069 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.202 -3.659 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.740 -5.342 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.830 -3.606 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.209 -4.995 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.935 -4.205 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.939 -5.353 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.764 -3.609 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.874 -2.735 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.779 -2.081 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.295 -2.808 -2.963 1.00 0.00 H new ATOM 614 N SER A 41 -6.759 -5.747 -7.203 1.00 0.00 N ATOM 615 CA SER A 41 -7.003 -5.929 -8.628 1.00 0.00 C ATOM 616 C SER A 41 -8.500 -5.970 -8.922 1.00 0.00 C ATOM 617 O SER A 41 -8.956 -5.473 -9.952 1.00 0.00 O ATOM 618 CB SER A 41 -6.341 -7.218 -9.121 1.00 0.00 C ATOM 619 OG SER A 41 -5.397 -6.947 -10.142 1.00 0.00 O ATOM 0 H SER A 41 -6.377 -6.567 -6.732 1.00 0.00 H new ATOM 0 HA SER A 41 -6.569 -5.080 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.847 -7.719 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.103 -7.901 -9.497 1.00 0.00 H new ATOM 0 HG SER A 41 -4.987 -7.786 -10.439 1.00 0.00 H new ATOM 625 N ASP A 42 -9.259 -6.564 -8.009 1.00 0.00 N ATOM 626 CA ASP A 42 -10.706 -6.670 -8.167 1.00 0.00 C ATOM 627 C ASP A 42 -11.391 -5.362 -7.782 1.00 0.00 C ATOM 628 O ASP A 42 -10.919 -4.637 -6.907 1.00 0.00 O ATOM 629 CB ASP A 42 -11.251 -7.816 -7.313 1.00 0.00 C ATOM 630 CG ASP A 42 -12.597 -8.313 -7.804 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.628 -7.750 -7.379 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.620 -9.265 -8.612 1.00 0.00 O ATOM 0 H ASP A 42 -8.897 -6.980 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.919 -6.876 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.538 -8.641 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.345 -7.483 -6.279 1.00 0.00 H new ATOM 637 N GLU A 43 -12.505 -5.067 -8.445 1.00 0.00 N ATOM 638 CA GLU A 43 -13.254 -3.846 -8.172 1.00 0.00 C ATOM 639 C GLU A 43 -14.691 -4.166 -7.771 1.00 0.00 C ATOM 640 O GLU A 43 -15.337 -3.392 -7.067 1.00 0.00 O ATOM 641 CB GLU A 43 -13.247 -2.933 -9.400 1.00 0.00 C ATOM 642 CG GLU A 43 -11.985 -2.098 -9.531 1.00 0.00 C ATOM 643 CD GLU A 43 -12.218 -0.804 -10.288 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.813 0.126 -9.707 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.805 -0.724 -11.464 1.00 0.00 O ATOM 0 H GLU A 43 -12.908 -5.656 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.770 -3.332 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.364 -3.543 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.109 -2.268 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.600 -1.869 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.219 -2.681 -10.043 1.00 0.00 H new ATOM 652 N ASN A 44 -15.184 -5.314 -8.225 1.00 0.00 N ATOM 653 CA ASN A 44 -16.545 -5.737 -7.915 1.00 0.00 C ATOM 654 C ASN A 44 -16.571 -6.610 -6.664 1.00 0.00 C ATOM 655 O ASN A 44 -17.216 -7.659 -6.639 1.00 0.00 O ATOM 656 CB ASN A 44 -17.145 -6.501 -9.096 1.00 0.00 C ATOM 657 CG ASN A 44 -17.473 -5.593 -10.266 1.00 0.00 C ATOM 658 OD1 ASN A 44 -16.710 -4.684 -10.591 1.00 0.00 O ATOM 659 ND2 ASN A 44 -18.612 -5.837 -10.904 1.00 0.00 N ATOM 0 H ASN A 44 -14.662 -5.968 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.143 -4.845 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.444 -7.270 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.051 -7.013 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -18.885 -5.259 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.214 -6.602 -10.599 1.00 0.00 H new ATOM 666 N SER A 45 -15.866 -6.170 -5.627 1.00 0.00 N ATOM 667 CA SER A 45 -15.805 -6.912 -4.373 1.00 0.00 C ATOM 668 C SER A 45 -16.058 -5.992 -3.183 1.00 0.00 C ATOM 669 O SER A 45 -16.351 -4.807 -3.351 1.00 0.00 O ATOM 670 CB SER A 45 -14.444 -7.594 -4.225 1.00 0.00 C ATOM 671 OG SER A 45 -13.399 -6.638 -4.157 1.00 0.00 O ATOM 0 H SER A 45 -15.329 -5.303 -5.630 1.00 0.00 H new ATOM 0 HA SER A 45 -16.585 -7.673 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.438 -8.209 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.275 -8.263 -5.069 1.00 0.00 H new ATOM 0 HG SER A 45 -12.540 -7.099 -4.061 1.00 0.00 H new ATOM 677 N LEU A 46 -15.943 -6.545 -1.981 1.00 0.00 N ATOM 678 CA LEU A 46 -16.158 -5.774 -0.761 1.00 0.00 C ATOM 679 C LEU A 46 -14.836 -5.253 -0.205 1.00 0.00 C ATOM 680 O LEU A 46 -14.723 -4.083 0.157 1.00 0.00 O ATOM 681 CB LEU A 46 -16.863 -6.632 0.290 1.00 0.00 C ATOM 682 CG LEU A 46 -16.543 -6.306 1.749 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.188 -6.880 2.138 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.573 -4.802 1.979 1.00 0.00 C ATOM 0 H LEU A 46 -15.702 -7.524 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.789 -4.920 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.939 -6.537 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.608 -7.676 0.108 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.305 -6.764 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.976 -6.639 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.202 -7.963 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.415 -6.450 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.343 -4.589 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.833 -4.321 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.564 -4.417 1.740 1.00 0.00 H new ATOM 696 N GLU A 47 -13.839 -6.131 -0.143 1.00 0.00 N ATOM 697 CA GLU A 47 -12.525 -5.759 0.368 1.00 0.00 C ATOM 698 C GLU A 47 -11.959 -4.570 -0.404 1.00 0.00 C ATOM 699 O GLU A 47 -11.193 -3.772 0.138 1.00 0.00 O ATOM 700 CB GLU A 47 -11.564 -6.945 0.278 1.00 0.00 C ATOM 701 CG GLU A 47 -12.116 -8.224 0.883 1.00 0.00 C ATOM 702 CD GLU A 47 -12.646 -9.184 -0.165 1.00 0.00 C ATOM 703 OE1 GLU A 47 -11.907 -9.475 -1.130 1.00 0.00 O ATOM 704 OE2 GLU A 47 -13.798 -9.644 -0.022 1.00 0.00 O ATOM 0 H GLU A 47 -13.917 -7.104 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.637 -5.471 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.319 -7.125 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.633 -6.687 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.333 -8.717 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.916 -7.976 1.581 1.00 0.00 H new ATOM 711 N TYR A 48 -12.338 -4.461 -1.672 1.00 0.00 N ATOM 712 CA TYR A 48 -11.867 -3.373 -2.521 1.00 0.00 C ATOM 713 C TYR A 48 -12.745 -2.135 -2.359 1.00 0.00 C ATOM 714 O TYR A 48 -12.325 -1.017 -2.659 1.00 0.00 O ATOM 715 CB TYR A 48 -11.849 -3.811 -3.985 1.00 0.00 C ATOM 716 CG TYR A 48 -11.394 -2.727 -4.936 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.277 -1.752 -5.383 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.080 -2.678 -5.387 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.866 -0.760 -6.253 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.659 -1.689 -6.256 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.556 -0.732 -6.686 1.00 0.00 C ATOM 722 OH TYR A 48 -10.142 0.254 -7.550 1.00 0.00 O ATOM 0 H TYR A 48 -12.971 -5.113 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.853 -3.119 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.191 -4.674 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.849 -4.137 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.302 -1.770 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.376 -3.426 -5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.566 -0.011 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.634 -1.665 -6.597 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.192 0.131 -7.756 1.00 0.00 H new ATOM 732 N LYS A 49 -13.968 -2.344 -1.882 1.00 0.00 N ATOM 733 CA LYS A 49 -14.907 -1.249 -1.678 1.00 0.00 C ATOM 734 C LYS A 49 -14.460 -0.357 -0.523 1.00 0.00 C ATOM 735 O LYS A 49 -14.844 0.810 -0.443 1.00 0.00 O ATOM 736 CB LYS A 49 -16.309 -1.796 -1.399 1.00 0.00 C ATOM 737 CG LYS A 49 -17.292 -1.555 -2.532 1.00 0.00 C ATOM 738 CD LYS A 49 -18.267 -2.710 -2.679 1.00 0.00 C ATOM 739 CE LYS A 49 -18.600 -2.977 -4.139 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.996 -3.467 -4.309 1.00 0.00 N ATOM 0 H LYS A 49 -14.331 -3.263 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.931 -0.651 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.241 -2.867 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.695 -1.336 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.844 -0.633 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.746 -1.417 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.839 -3.608 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.182 -2.487 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.463 -2.062 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.905 -3.714 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.184 -3.637 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.120 -4.353 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.661 -2.753 -3.949 1.00 0.00 H new ATOM 754 N TYR A 50 -13.645 -0.913 0.366 1.00 0.00 N ATOM 755 CA TYR A 50 -13.147 -0.168 1.516 1.00 0.00 C ATOM 756 C TYR A 50 -11.915 0.650 1.142 1.00 0.00 C ATOM 757 O TYR A 50 -11.862 1.858 1.379 1.00 0.00 O ATOM 758 CB TYR A 50 -12.810 -1.123 2.662 1.00 0.00 C ATOM 759 CG TYR A 50 -14.019 -1.573 3.451 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.205 -1.910 2.810 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.973 -1.663 4.837 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.312 -2.321 3.528 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.075 -2.074 5.562 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.242 -2.402 4.903 1.00 0.00 C ATOM 765 OH TYR A 50 -17.342 -2.812 5.620 1.00 0.00 O ATOM 0 H TYR A 50 -13.315 -1.877 0.313 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.931 0.516 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.304 -1.999 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.108 -0.634 3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.263 -1.850 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.061 -1.407 5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.227 -2.577 3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.023 -2.138 6.639 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.127 -2.816 6.576 1.00 0.00 H new ATOM 775 N TYR A 51 -10.926 -0.015 0.557 1.00 0.00 N ATOM 776 CA TYR A 51 -9.693 0.649 0.151 1.00 0.00 C ATOM 777 C TYR A 51 -9.992 1.910 -0.653 1.00 0.00 C ATOM 778 O TYR A 51 -9.246 2.888 -0.598 1.00 0.00 O ATOM 779 CB TYR A 51 -8.825 -0.302 -0.675 1.00 0.00 C ATOM 780 CG TYR A 51 -7.570 0.342 -1.219 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.474 0.577 -0.398 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.480 0.717 -2.554 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.325 1.166 -0.891 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.335 1.304 -3.056 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.261 1.527 -2.220 1.00 0.00 C ATOM 786 OH TYR A 51 -4.119 2.114 -2.715 1.00 0.00 O ATOM 0 H TYR A 51 -10.954 -1.014 0.353 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.151 0.935 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.547 -1.156 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.414 -0.689 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.521 0.295 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.320 0.546 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.482 1.342 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.281 1.587 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.237 2.306 -3.669 1.00 0.00 H new ATOM 796 N LYS A 52 -11.091 1.881 -1.400 1.00 0.00 N ATOM 797 CA LYS A 52 -11.493 3.020 -2.215 1.00 0.00 C ATOM 798 C LYS A 52 -12.393 3.964 -1.424 1.00 0.00 C ATOM 799 O LYS A 52 -12.349 5.181 -1.609 1.00 0.00 O ATOM 800 CB LYS A 52 -12.219 2.542 -3.475 1.00 0.00 C ATOM 801 CG LYS A 52 -11.291 1.964 -4.529 1.00 0.00 C ATOM 802 CD LYS A 52 -10.458 3.046 -5.194 1.00 0.00 C ATOM 803 CE LYS A 52 -11.319 3.968 -6.045 1.00 0.00 C ATOM 804 NZ LYS A 52 -12.205 3.205 -6.966 1.00 0.00 N ATOM 0 H LYS A 52 -11.719 1.080 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.593 3.562 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.954 1.787 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.769 3.378 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.632 1.227 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.878 1.440 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.942 3.629 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.691 2.585 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.927 4.599 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.677 4.631 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.568 3.841 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.665 2.434 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.002 2.806 -6.430 1.00 0.00 H new ATOM 818 N LEU A 53 -13.208 3.397 -0.543 1.00 0.00 N ATOM 819 CA LEU A 53 -14.118 4.188 0.278 1.00 0.00 C ATOM 820 C LEU A 53 -13.389 4.788 1.476 1.00 0.00 C ATOM 821 O LEU A 53 -13.216 6.004 1.567 1.00 0.00 O ATOM 822 CB LEU A 53 -15.286 3.324 0.758 1.00 0.00 C ATOM 823 CG LEU A 53 -16.131 3.906 1.891 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.617 3.428 3.240 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.133 5.427 1.827 1.00 0.00 C ATOM 0 H LEU A 53 -13.258 2.392 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.504 5.003 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.940 3.128 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.890 2.362 1.084 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.156 3.556 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.231 3.853 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.668 2.340 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.583 3.748 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.739 5.825 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.112 5.796 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.549 5.750 0.873 1.00 0.00 H new ATOM 837 N LYS A 54 -12.962 3.927 2.393 1.00 0.00 N ATOM 838 CA LYS A 54 -12.248 4.369 3.585 1.00 0.00 C ATOM 839 C LYS A 54 -11.163 5.380 3.225 1.00 0.00 C ATOM 840 O LYS A 54 -10.885 6.306 3.990 1.00 0.00 O ATOM 841 CB LYS A 54 -11.625 3.172 4.306 1.00 0.00 C ATOM 842 CG LYS A 54 -11.553 3.340 5.814 1.00 0.00 C ATOM 843 CD LYS A 54 -12.847 2.911 6.486 1.00 0.00 C ATOM 844 CE LYS A 54 -12.811 3.173 7.983 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.767 2.302 8.721 1.00 0.00 N ATOM 0 H LYS A 54 -13.098 2.918 2.334 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.965 4.852 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.205 2.278 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.619 3.008 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.725 2.750 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.345 4.382 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.685 3.449 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.018 1.850 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.801 3.003 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.050 4.219 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.838 2.623 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.703 2.355 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.428 1.319 8.700 1.00 0.00 H new ATOM 859 N LEU A 55 -10.556 5.199 2.059 1.00 0.00 N ATOM 860 CA LEU A 55 -9.502 6.096 1.597 1.00 0.00 C ATOM 861 C LEU A 55 -10.072 7.462 1.230 1.00 0.00 C ATOM 862 O LEU A 55 -9.515 8.497 1.596 1.00 0.00 O ATOM 863 CB LEU A 55 -8.783 5.491 0.390 1.00 0.00 C ATOM 864 CG LEU A 55 -7.601 6.292 -0.158 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.519 6.439 0.901 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.041 5.629 -1.408 1.00 0.00 C ATOM 0 H LEU A 55 -10.775 4.439 1.415 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.788 6.227 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.427 4.498 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.510 5.359 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.955 7.287 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.686 7.012 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.927 6.959 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.168 5.452 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.201 6.213 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.703 4.621 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.817 5.577 -2.171 1.00 0.00 H new ATOM 878 N ALA A 56 -11.188 7.457 0.508 1.00 0.00 N ATOM 879 CA ALA A 56 -11.836 8.696 0.096 1.00 0.00 C ATOM 880 C ALA A 56 -12.265 9.520 1.306 1.00 0.00 C ATOM 881 O ALA A 56 -11.882 10.681 1.444 1.00 0.00 O ATOM 882 CB ALA A 56 -13.035 8.395 -0.793 1.00 0.00 C ATOM 0 H ALA A 56 -11.662 6.609 0.197 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.115 9.283 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.509 9.329 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.704 7.855 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.752 7.785 -0.243 1.00 0.00 H new ATOM 888 N GLU A 57 -13.064 8.911 2.177 1.00 0.00 N ATOM 889 CA GLU A 57 -13.546 9.590 3.374 1.00 0.00 C ATOM 890 C GLU A 57 -12.381 10.023 4.260 1.00 0.00 C ATOM 891 O GLU A 57 -12.401 11.107 4.843 1.00 0.00 O ATOM 892 CB GLU A 57 -14.489 8.678 4.160 1.00 0.00 C ATOM 893 CG GLU A 57 -13.792 7.485 4.795 1.00 0.00 C ATOM 894 CD GLU A 57 -14.701 6.703 5.723 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.866 6.459 5.345 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.247 6.337 6.827 1.00 0.00 O ATOM 0 H GLU A 57 -13.391 7.950 2.076 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.092 10.480 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.978 9.261 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.273 8.318 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.425 6.824 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.922 7.832 5.352 1.00 0.00 H new ATOM 903 N MET A 58 -11.369 9.168 4.355 1.00 0.00 N ATOM 904 CA MET A 58 -10.196 9.461 5.170 1.00 0.00 C ATOM 905 C MET A 58 -9.403 10.625 4.583 1.00 0.00 C ATOM 906 O MET A 58 -8.912 11.485 5.313 1.00 0.00 O ATOM 907 CB MET A 58 -9.302 8.224 5.280 1.00 0.00 C ATOM 908 CG MET A 58 -9.799 7.204 6.292 1.00 0.00 C ATOM 909 SD MET A 58 -9.469 7.697 7.994 1.00 0.00 S ATOM 910 CE MET A 58 -7.711 7.372 8.106 1.00 0.00 C ATOM 0 H MET A 58 -11.337 8.267 3.878 1.00 0.00 H new ATOM 0 HA MET A 58 -10.538 9.743 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.231 7.749 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.295 8.537 5.556 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.872 7.061 6.161 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.323 6.243 6.097 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.535 6.562 8.814 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.331 7.086 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.196 8.270 8.447 1.00 0.00 H new ATOM 920 N GLN A 59 -9.283 10.645 3.259 1.00 0.00 N ATOM 921 CA GLN A 59 -8.549 11.702 2.575 1.00 0.00 C ATOM 922 C GLN A 59 -9.238 13.051 2.760 1.00 0.00 C ATOM 923 O GLN A 59 -8.596 14.044 3.102 1.00 0.00 O ATOM 924 CB GLN A 59 -8.422 11.382 1.084 1.00 0.00 C ATOM 925 CG GLN A 59 -7.151 10.626 0.731 1.00 0.00 C ATOM 926 CD GLN A 59 -6.608 11.003 -0.633 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.675 12.163 -1.042 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.064 10.023 -1.346 1.00 0.00 N ATOM 0 H GLN A 59 -9.685 9.941 2.640 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.553 11.760 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.284 10.792 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.451 12.313 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.392 10.825 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.351 9.555 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.029 9.076 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.681 10.217 -2.271 1.00 0.00 H new ATOM 937 N ARG A 60 -10.547 13.077 2.532 1.00 0.00 N ATOM 938 CA ARG A 60 -11.322 14.304 2.672 1.00 0.00 C ATOM 939 C ARG A 60 -11.312 14.791 4.118 1.00 0.00 C ATOM 940 O ARG A 60 -11.502 15.977 4.386 1.00 0.00 O ATOM 941 CB ARG A 60 -12.763 14.078 2.209 1.00 0.00 C ATOM 942 CG ARG A 60 -13.627 13.365 3.234 1.00 0.00 C ATOM 943 CD ARG A 60 -15.105 13.476 2.891 1.00 0.00 C ATOM 944 NE ARG A 60 -15.880 14.054 3.986 1.00 0.00 N ATOM 945 CZ ARG A 60 -17.193 14.250 3.933 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.873 13.916 2.846 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.827 14.782 4.971 1.00 0.00 N ATOM 0 H ARG A 60 -11.093 12.263 2.250 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.862 15.068 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.215 15.041 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.752 13.496 1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.342 12.314 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.449 13.791 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.225 14.090 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.497 12.487 2.652 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.386 14.322 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.389 13.507 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.881 14.068 2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.306 15.040 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.835 14.933 4.930 1.00 0.00 H new ATOM 961 N SER A 61 -11.091 13.866 5.047 1.00 0.00 N ATOM 962 CA SER A 61 -11.061 14.200 6.466 1.00 0.00 C ATOM 963 C SER A 61 -9.806 14.996 6.810 1.00 0.00 C ATOM 964 O SER A 61 -8.830 14.994 6.061 1.00 0.00 O ATOM 965 CB SER A 61 -11.119 12.927 7.313 1.00 0.00 C ATOM 966 OG SER A 61 -12.135 13.016 8.297 1.00 0.00 O ATOM 0 H SER A 61 -10.930 12.880 4.842 1.00 0.00 H new ATOM 0 HA SER A 61 -11.933 14.815 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.305 12.067 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.155 12.762 7.795 1.00 0.00 H new ATOM 0 HG SER A 61 -12.153 12.190 8.824 1.00 0.00 H new ATOM 972 N GLY A 62 -9.839 15.677 7.952 1.00 0.00 N ATOM 973 CA GLY A 62 -8.700 16.470 8.377 1.00 0.00 C ATOM 974 C GLY A 62 -8.732 17.878 7.818 1.00 0.00 C ATOM 975 O GLY A 62 -9.696 18.291 7.172 1.00 0.00 O ATOM 0 H GLY A 62 -10.634 15.694 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.679 16.515 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.780 15.978 8.061 1.00 0.00 H new ATOM 979 N PRO A 63 -7.658 18.642 8.066 1.00 0.00 N ATOM 980 CA PRO A 63 -7.543 20.024 7.593 1.00 0.00 C ATOM 981 C PRO A 63 -7.374 20.106 6.079 1.00 0.00 C ATOM 982 O PRO A 63 -7.505 21.178 5.488 1.00 0.00 O ATOM 983 CB PRO A 63 -6.288 20.539 8.300 1.00 0.00 C ATOM 984 CG PRO A 63 -5.482 19.317 8.577 1.00 0.00 C ATOM 985 CD PRO A 63 -6.473 18.215 8.828 1.00 0.00 C ATOM 0 HA PRO A 63 -8.439 20.605 7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.740 21.241 7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.540 21.065 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.836 19.076 7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.835 19.464 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.099 17.251 8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.695 18.108 9.890 1.00 0.00 H new ATOM 993 N SER A 64 -7.082 18.968 5.458 1.00 0.00 N ATOM 994 CA SER A 64 -6.890 18.912 4.014 1.00 0.00 C ATOM 995 C SER A 64 -5.485 19.366 3.634 1.00 0.00 C ATOM 996 O SER A 64 -4.721 19.829 4.480 1.00 0.00 O ATOM 997 CB SER A 64 -7.930 19.785 3.307 1.00 0.00 C ATOM 998 OG SER A 64 -8.195 19.305 2.000 1.00 0.00 O ATOM 0 H SER A 64 -6.973 18.072 5.933 1.00 0.00 H new ATOM 0 HA SER A 64 -7.016 17.877 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.853 19.799 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.571 20.813 3.255 1.00 0.00 H new ATOM 0 HG SER A 64 -8.863 19.878 1.570 1.00 0.00 H new ATOM 1004 N SER A 65 -5.151 19.230 2.354 1.00 0.00 N ATOM 1005 CA SER A 65 -3.836 19.622 1.861 1.00 0.00 C ATOM 1006 C SER A 65 -3.956 20.715 0.803 1.00 0.00 C ATOM 1007 O SER A 65 -3.254 20.696 -0.207 1.00 0.00 O ATOM 1008 CB SER A 65 -3.104 18.410 1.279 1.00 0.00 C ATOM 1009 OG SER A 65 -1.716 18.472 1.557 1.00 0.00 O ATOM 0 H SER A 65 -5.773 18.851 1.640 1.00 0.00 H new ATOM 0 HA SER A 65 -3.263 20.015 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.521 17.494 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.261 18.369 0.201 1.00 0.00 H new ATOM 0 HG SER A 65 -1.271 17.686 1.176 1.00 0.00 H new ATOM 1015 N GLY A 66 -4.851 21.667 1.045 1.00 0.00 N ATOM 1016 CA GLY A 66 -5.048 22.755 0.105 1.00 0.00 C ATOM 1017 C GLY A 66 -6.313 23.543 0.386 1.00 0.00 C ATOM 1018 O GLY A 66 -6.379 24.297 1.356 1.00 0.00 O ATOM 0 H GLY A 66 -5.443 21.705 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.190 23.426 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.091 22.353 -0.907 1.00 0.00 H new TER 1022 GLY A 66