USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 768 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 56 GLN : amide:sc= -2.19 K(o=-6.1,f=-4.1) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -3.94 K(o=-6.1,f=-3.6!) USER MOD Set 2.1: A 15 THR OG1 : rot 66:sc= 0.727 USER MOD Set 2.2: A 17 GLN : amide:sc= -8.99! C(o=-8.3!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.154 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.83 K(o=0.83,f=-4.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 15:sc= 0.765 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.353 (180deg=-2.08!) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -56:sc= 0.323 USER MOD Single : A 34 ASN : amide:sc= -1.3! C(o=-1.3!,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -12:sc= -0.325 USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= -1.32 (180deg=-3.11!) USER MOD Single : A 42 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= -2.03 K(o=-2,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.42 (180deg=-1.45!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 76 TYR OH : rot -21:sc= -1.56! USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 86 THR OG1 : rot 36:sc= 0.113 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 28:sc= 0.375 USER MOD Single : A 98 SER OG : rot 10:sc= 0.11 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.806 -9.390 22.527 1.00 0.00 N ATOM 2 CA GLY A 1 -27.628 -9.696 21.120 1.00 0.00 C ATOM 3 C GLY A 1 -26.810 -10.952 20.899 1.00 0.00 C ATOM 4 O GLY A 1 -27.237 -12.050 21.257 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.372 -8.523 22.625 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.297 -10.178 22.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.877 -9.249 22.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.605 -9.815 20.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.138 -8.856 20.628 1.00 0.00 H new ATOM 8 N SER A 2 -25.631 -10.792 20.307 1.00 0.00 N ATOM 9 CA SER A 2 -24.753 -11.924 20.033 1.00 0.00 C ATOM 10 C SER A 2 -23.303 -11.577 20.355 1.00 0.00 C ATOM 11 O SER A 2 -22.787 -10.549 19.918 1.00 0.00 O ATOM 12 CB SER A 2 -24.874 -12.349 18.568 1.00 0.00 C ATOM 13 OG SER A 2 -24.516 -11.289 17.699 1.00 0.00 O ATOM 0 H SER A 2 -25.261 -9.890 20.008 1.00 0.00 H new ATOM 0 HA SER A 2 -25.061 -12.753 20.671 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.231 -13.209 18.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.897 -12.664 18.361 1.00 0.00 H new ATOM 0 HG SER A 2 -23.964 -10.640 18.184 1.00 0.00 H new ATOM 19 N SER A 3 -22.650 -12.443 21.124 1.00 0.00 N ATOM 20 CA SER A 3 -21.260 -12.227 21.509 1.00 0.00 C ATOM 21 C SER A 3 -20.362 -12.144 20.278 1.00 0.00 C ATOM 22 O SER A 3 -20.466 -12.960 19.364 1.00 0.00 O ATOM 23 CB SER A 3 -20.783 -13.354 22.427 1.00 0.00 C ATOM 24 OG SER A 3 -21.427 -13.292 23.688 1.00 0.00 O ATOM 0 H SER A 3 -23.061 -13.301 21.493 1.00 0.00 H new ATOM 0 HA SER A 3 -21.200 -11.280 22.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.984 -14.318 21.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.704 -13.285 22.563 1.00 0.00 H new ATOM 0 HG SER A 3 -21.106 -14.024 24.255 1.00 0.00 H new ATOM 30 N GLY A 4 -19.479 -11.150 20.264 1.00 0.00 N ATOM 31 CA GLY A 4 -18.576 -10.977 19.142 1.00 0.00 C ATOM 32 C GLY A 4 -17.938 -9.602 19.117 1.00 0.00 C ATOM 33 O GLY A 4 -18.425 -8.673 19.761 1.00 0.00 O ATOM 0 H GLY A 4 -19.373 -10.462 21.010 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.795 -11.736 19.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.122 -11.138 18.212 1.00 0.00 H new ATOM 37 N SER A 5 -16.845 -9.472 18.373 1.00 0.00 N ATOM 38 CA SER A 5 -16.136 -8.201 18.271 1.00 0.00 C ATOM 39 C SER A 5 -16.623 -7.402 17.066 1.00 0.00 C ATOM 40 O SER A 5 -16.663 -7.910 15.946 1.00 0.00 O ATOM 41 CB SER A 5 -14.629 -8.441 18.163 1.00 0.00 C ATOM 42 OG SER A 5 -13.947 -7.249 17.811 1.00 0.00 O ATOM 0 H SER A 5 -16.431 -10.231 17.832 1.00 0.00 H new ATOM 0 HA SER A 5 -16.341 -7.625 19.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.248 -8.815 19.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.433 -9.210 17.416 1.00 0.00 H new ATOM 0 HG SER A 5 -12.985 -7.428 17.750 1.00 0.00 H new ATOM 48 N SER A 6 -16.993 -6.148 17.306 1.00 0.00 N ATOM 49 CA SER A 6 -17.482 -5.278 16.243 1.00 0.00 C ATOM 50 C SER A 6 -16.432 -4.237 15.868 1.00 0.00 C ATOM 51 O SER A 6 -15.532 -3.937 16.650 1.00 0.00 O ATOM 52 CB SER A 6 -18.774 -4.584 16.676 1.00 0.00 C ATOM 53 OG SER A 6 -19.899 -5.418 16.459 1.00 0.00 O ATOM 0 H SER A 6 -16.963 -5.712 18.228 1.00 0.00 H new ATOM 0 HA SER A 6 -17.686 -5.894 15.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.712 -4.319 17.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.895 -3.654 16.121 1.00 0.00 H new ATOM 0 HG SER A 6 -20.712 -4.952 16.746 1.00 0.00 H new ATOM 59 N GLY A 7 -16.557 -3.687 14.663 1.00 0.00 N ATOM 60 CA GLY A 7 -15.613 -2.685 14.204 1.00 0.00 C ATOM 61 C GLY A 7 -14.346 -3.297 13.639 1.00 0.00 C ATOM 62 O GLY A 7 -14.065 -4.476 13.860 1.00 0.00 O ATOM 0 H GLY A 7 -17.295 -3.918 13.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.086 -2.067 13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.356 -2.026 15.033 1.00 0.00 H new ATOM 66 N LEU A 8 -13.580 -2.496 12.906 1.00 0.00 N ATOM 67 CA LEU A 8 -12.337 -2.966 12.306 1.00 0.00 C ATOM 68 C LEU A 8 -11.132 -2.511 13.122 1.00 0.00 C ATOM 69 O LEU A 8 -10.861 -1.315 13.237 1.00 0.00 O ATOM 70 CB LEU A 8 -12.216 -2.455 10.869 1.00 0.00 C ATOM 71 CG LEU A 8 -10.865 -2.679 10.188 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.748 -4.112 9.694 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.679 -1.699 9.039 1.00 0.00 C ATOM 0 H LEU A 8 -13.798 -1.518 12.713 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.356 -4.056 12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.988 -2.936 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.429 -1.386 10.866 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.076 -2.504 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.780 -4.253 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.836 -4.796 10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.543 -4.316 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.713 -1.872 8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.473 -1.843 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.718 -0.679 9.421 1.00 0.00 H new ATOM 85 N LYS A 9 -10.409 -3.472 13.687 1.00 0.00 N ATOM 86 CA LYS A 9 -9.229 -3.172 14.490 1.00 0.00 C ATOM 87 C LYS A 9 -7.951 -3.447 13.705 1.00 0.00 C ATOM 88 O LYS A 9 -7.705 -4.576 13.278 1.00 0.00 O ATOM 89 CB LYS A 9 -9.239 -4.001 15.777 1.00 0.00 C ATOM 90 CG LYS A 9 -8.481 -3.354 16.923 1.00 0.00 C ATOM 91 CD LYS A 9 -8.900 -3.931 18.265 1.00 0.00 C ATOM 92 CE LYS A 9 -8.496 -3.020 19.414 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.154 -3.413 20.690 1.00 0.00 N ATOM 0 H LYS A 9 -10.620 -4.466 13.604 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.255 -2.113 14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.272 -4.168 16.084 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.805 -4.980 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.410 -3.501 16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.659 -2.279 16.917 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.980 -4.078 18.278 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.444 -4.912 18.399 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.414 -3.051 19.539 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.760 -1.991 19.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.853 -2.768 21.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.187 -3.359 20.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.882 -4.387 20.935 1.00 0.00 H new ATOM 107 N ILE A 10 -7.142 -2.410 13.519 1.00 0.00 N ATOM 108 CA ILE A 10 -5.888 -2.542 12.787 1.00 0.00 C ATOM 109 C ILE A 10 -4.749 -2.946 13.716 1.00 0.00 C ATOM 110 O ILE A 10 -4.299 -2.155 14.546 1.00 0.00 O ATOM 111 CB ILE A 10 -5.512 -1.230 12.073 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.555 -0.888 11.007 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.128 -1.344 11.451 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.871 -0.410 11.580 1.00 0.00 C ATOM 0 H ILE A 10 -7.332 -1.469 13.865 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.039 -3.322 12.041 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.493 -0.425 12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.152 -0.117 10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.735 -1.769 10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.876 -0.409 10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.394 -1.547 12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.121 -2.158 10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.562 -0.186 10.767 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.296 -1.188 12.213 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.704 0.489 12.173 1.00 0.00 H new ATOM 126 N LEU A 11 -4.284 -4.182 13.571 1.00 0.00 N ATOM 127 CA LEU A 11 -3.195 -4.692 14.397 1.00 0.00 C ATOM 128 C LEU A 11 -1.867 -4.052 14.002 1.00 0.00 C ATOM 129 O LEU A 11 -1.218 -3.392 14.814 1.00 0.00 O ATOM 130 CB LEU A 11 -3.099 -6.213 14.267 1.00 0.00 C ATOM 131 CG LEU A 11 -4.376 -6.995 14.579 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.237 -8.443 14.136 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.699 -6.918 16.064 1.00 0.00 C ATOM 0 H LEU A 11 -4.644 -4.850 12.889 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.408 -4.435 15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.790 -6.452 13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.310 -6.565 14.931 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.199 -6.545 14.025 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.155 -8.984 14.366 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.054 -8.479 13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.402 -8.906 14.662 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.611 -7.480 16.268 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.875 -7.342 16.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.843 -5.877 16.352 1.00 0.00 H new ATOM 145 N THR A 12 -1.470 -4.251 12.749 1.00 0.00 N ATOM 146 CA THR A 12 -0.221 -3.693 12.246 1.00 0.00 C ATOM 147 C THR A 12 -0.446 -2.920 10.952 1.00 0.00 C ATOM 148 O THR A 12 -0.413 -3.476 9.854 1.00 0.00 O ATOM 149 CB THR A 12 0.827 -4.795 11.997 1.00 0.00 C ATOM 150 OG1 THR A 12 0.897 -5.669 13.129 1.00 0.00 O ATOM 151 CG2 THR A 12 2.197 -4.189 11.733 1.00 0.00 C ATOM 0 H THR A 12 -1.995 -4.794 12.064 1.00 0.00 H new ATOM 0 HA THR A 12 0.152 -3.013 13.012 1.00 0.00 H new ATOM 0 HB THR A 12 0.523 -5.363 11.118 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.564 -6.367 12.962 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.920 -4.986 11.560 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.147 -3.547 10.854 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.506 -3.599 12.596 1.00 0.00 H new ATOM 159 N PRO A 13 -0.679 -1.605 11.080 1.00 0.00 N ATOM 160 CA PRO A 13 -0.913 -0.727 9.930 1.00 0.00 C ATOM 161 C PRO A 13 0.345 -0.521 9.093 1.00 0.00 C ATOM 162 O PRO A 13 1.421 -1.009 9.440 1.00 0.00 O ATOM 163 CB PRO A 13 -1.348 0.592 10.574 1.00 0.00 C ATOM 164 CG PRO A 13 -0.742 0.568 11.934 1.00 0.00 C ATOM 165 CD PRO A 13 -0.733 -0.875 12.358 1.00 0.00 C ATOM 0 HA PRO A 13 -1.648 -1.144 9.241 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.996 1.448 9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.434 0.668 10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.268 0.976 11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.321 1.176 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.127 -1.103 12.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.625 -1.131 12.930 1.00 0.00 H new ATOM 173 N LEU A 14 0.202 0.203 7.989 1.00 0.00 N ATOM 174 CA LEU A 14 1.328 0.474 7.101 1.00 0.00 C ATOM 175 C LEU A 14 2.375 1.338 7.797 1.00 0.00 C ATOM 176 O LEU A 14 2.045 2.328 8.450 1.00 0.00 O ATOM 177 CB LEU A 14 0.843 1.169 5.827 1.00 0.00 C ATOM 178 CG LEU A 14 -0.198 0.410 5.004 1.00 0.00 C ATOM 179 CD1 LEU A 14 -1.031 1.376 4.175 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.477 -0.619 4.109 1.00 0.00 C ATOM 0 H LEU A 14 -0.682 0.613 7.687 1.00 0.00 H new ATOM 0 HA LEU A 14 1.787 -0.479 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.424 2.137 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.707 1.364 5.192 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.863 -0.115 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.767 0.818 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.544 2.074 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.380 1.929 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.279 -1.150 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.166 -0.115 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.029 -1.330 4.724 1.00 0.00 H new ATOM 192 N THR A 15 3.641 0.956 7.652 1.00 0.00 N ATOM 193 CA THR A 15 4.737 1.695 8.266 1.00 0.00 C ATOM 194 C THR A 15 5.566 2.423 7.214 1.00 0.00 C ATOM 195 O THR A 15 5.384 2.216 6.014 1.00 0.00 O ATOM 196 CB THR A 15 5.658 0.764 9.076 1.00 0.00 C ATOM 197 OG1 THR A 15 6.499 0.016 8.192 1.00 0.00 O ATOM 198 CG2 THR A 15 4.842 -0.190 9.936 1.00 0.00 C ATOM 0 H THR A 15 3.932 0.139 7.115 1.00 0.00 H new ATOM 0 HA THR A 15 4.288 2.425 8.940 1.00 0.00 H new ATOM 0 HB THR A 15 6.276 1.380 9.730 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.112 0.625 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.514 -0.838 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.225 0.382 10.629 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.202 -0.799 9.297 1.00 0.00 H new ATOM 206 N ASP A 16 6.478 3.273 7.671 1.00 0.00 N ATOM 207 CA ASP A 16 7.338 4.030 6.769 1.00 0.00 C ATOM 208 C ASP A 16 8.460 3.152 6.222 1.00 0.00 C ATOM 209 O ASP A 16 9.139 2.457 6.977 1.00 0.00 O ATOM 210 CB ASP A 16 7.928 5.243 7.490 1.00 0.00 C ATOM 211 CG ASP A 16 8.421 4.905 8.883 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.207 3.944 9.017 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.019 5.601 9.840 1.00 0.00 O ATOM 0 H ASP A 16 6.641 3.455 8.661 1.00 0.00 H new ATOM 0 HA ASP A 16 6.730 4.375 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.754 5.645 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.173 6.026 7.555 1.00 0.00 H new ATOM 218 N GLN A 17 8.646 3.189 4.907 1.00 0.00 N ATOM 219 CA GLN A 17 9.684 2.395 4.261 1.00 0.00 C ATOM 220 C GLN A 17 10.583 3.273 3.397 1.00 0.00 C ATOM 221 O GLN A 17 10.122 4.233 2.778 1.00 0.00 O ATOM 222 CB GLN A 17 9.055 1.293 3.406 1.00 0.00 C ATOM 223 CG GLN A 17 8.825 -0.006 4.162 1.00 0.00 C ATOM 224 CD GLN A 17 7.594 0.042 5.045 1.00 0.00 C ATOM 225 OE1 GLN A 17 7.566 0.748 6.054 1.00 0.00 O ATOM 226 NE2 GLN A 17 6.566 -0.709 4.669 1.00 0.00 N ATOM 0 H GLN A 17 8.092 3.760 4.268 1.00 0.00 H new ATOM 0 HA GLN A 17 10.294 1.938 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.103 1.649 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.700 1.096 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.724 -0.824 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.699 -0.224 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.632 -1.279 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.710 -0.716 5.223 1.00 0.00 H new ATOM 235 N THR A 18 11.869 2.940 3.359 1.00 0.00 N ATOM 236 CA THR A 18 12.833 3.699 2.573 1.00 0.00 C ATOM 237 C THR A 18 13.712 2.774 1.738 1.00 0.00 C ATOM 238 O THR A 18 14.580 2.080 2.269 1.00 0.00 O ATOM 239 CB THR A 18 13.732 4.568 3.473 1.00 0.00 C ATOM 240 OG1 THR A 18 12.947 5.572 4.125 1.00 0.00 O ATOM 241 CG2 THR A 18 14.835 5.228 2.660 1.00 0.00 C ATOM 0 H THR A 18 12.267 2.148 3.864 1.00 0.00 H new ATOM 0 HA THR A 18 12.260 4.347 1.910 1.00 0.00 H new ATOM 0 HB THR A 18 14.191 3.923 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.525 6.119 4.697 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.457 5.836 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.448 4.460 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.391 5.861 1.891 1.00 0.00 H new ATOM 249 N VAL A 19 13.483 2.769 0.429 1.00 0.00 N ATOM 250 CA VAL A 19 14.255 1.931 -0.480 1.00 0.00 C ATOM 251 C VAL A 19 14.824 2.749 -1.633 1.00 0.00 C ATOM 252 O VAL A 19 14.159 3.638 -2.164 1.00 0.00 O ATOM 253 CB VAL A 19 13.398 0.785 -1.051 1.00 0.00 C ATOM 254 CG1 VAL A 19 14.264 -0.428 -1.356 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.281 0.423 -0.084 1.00 0.00 C ATOM 0 H VAL A 19 12.768 3.337 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 19 15.075 1.507 0.100 1.00 0.00 H new ATOM 0 HB VAL A 19 12.945 1.122 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.642 -1.227 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.025 -0.157 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.747 -0.770 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.686 -0.388 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.711 0.104 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.645 1.293 0.079 1.00 0.00 H new ATOM 265 N ASN A 20 16.059 2.442 -2.017 1.00 0.00 N ATOM 266 CA ASN A 20 16.718 3.149 -3.108 1.00 0.00 C ATOM 267 C ASN A 20 15.878 3.092 -4.380 1.00 0.00 C ATOM 268 O ASN A 20 14.890 2.359 -4.453 1.00 0.00 O ATOM 269 CB ASN A 20 18.101 2.550 -3.370 1.00 0.00 C ATOM 270 CG ASN A 20 18.814 2.161 -2.090 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.301 1.372 -1.296 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.004 2.714 -1.883 1.00 0.00 N ATOM 0 H ASN A 20 16.623 1.708 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 20 16.831 4.193 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 20 17.999 1.672 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.709 3.271 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.531 2.490 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.391 3.363 -2.568 1.00 0.00 H new ATOM 279 N LEU A 21 16.276 3.868 -5.382 1.00 0.00 N ATOM 280 CA LEU A 21 15.560 3.906 -6.652 1.00 0.00 C ATOM 281 C LEU A 21 15.869 2.667 -7.488 1.00 0.00 C ATOM 282 O LEU A 21 17.027 2.284 -7.643 1.00 0.00 O ATOM 283 CB LEU A 21 15.933 5.167 -7.433 1.00 0.00 C ATOM 284 CG LEU A 21 15.034 5.511 -8.622 1.00 0.00 C ATOM 285 CD1 LEU A 21 13.886 6.406 -8.182 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.842 6.179 -9.725 1.00 0.00 C ATOM 0 H LEU A 21 17.091 4.480 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 21 14.491 3.921 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.929 6.011 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.955 5.057 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 21 14.615 4.585 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.257 6.640 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.292 5.891 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.285 7.329 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.187 6.417 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.290 7.096 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.629 5.503 -10.060 1.00 0.00 H new ATOM 298 N GLY A 22 14.823 2.047 -8.026 1.00 0.00 N ATOM 299 CA GLY A 22 15.004 0.860 -8.841 1.00 0.00 C ATOM 300 C GLY A 22 14.745 -0.419 -8.069 1.00 0.00 C ATOM 301 O GLY A 22 14.293 -1.414 -8.634 1.00 0.00 O ATOM 0 H GLY A 22 13.854 2.345 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.332 0.906 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.021 0.844 -9.234 1.00 0.00 H new ATOM 305 N LYS A 23 15.033 -0.393 -6.772 1.00 0.00 N ATOM 306 CA LYS A 23 14.829 -1.558 -5.919 1.00 0.00 C ATOM 307 C LYS A 23 13.367 -1.994 -5.934 1.00 0.00 C ATOM 308 O LYS A 23 12.537 -1.390 -6.612 1.00 0.00 O ATOM 309 CB LYS A 23 15.266 -1.250 -4.485 1.00 0.00 C ATOM 310 CG LYS A 23 16.771 -1.146 -4.317 1.00 0.00 C ATOM 311 CD LYS A 23 17.398 -2.504 -4.050 1.00 0.00 C ATOM 312 CE LYS A 23 18.878 -2.514 -4.400 1.00 0.00 C ATOM 313 NZ LYS A 23 19.463 -3.880 -4.299 1.00 0.00 N ATOM 0 H LYS A 23 15.409 0.423 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 23 15.437 -2.374 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.808 -0.313 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.888 -2.030 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.209 -0.713 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.000 -0.470 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.270 -2.765 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.880 -3.266 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.014 -2.135 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.414 -1.839 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.473 -3.844 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.356 -4.232 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.969 -4.519 -4.955 1.00 0.00 H new ATOM 327 N GLU A 24 13.060 -3.046 -5.181 1.00 0.00 N ATOM 328 CA GLU A 24 11.698 -3.561 -5.108 1.00 0.00 C ATOM 329 C GLU A 24 11.039 -3.172 -3.787 1.00 0.00 C ATOM 330 O GLU A 24 11.249 -3.821 -2.762 1.00 0.00 O ATOM 331 CB GLU A 24 11.696 -5.083 -5.263 1.00 0.00 C ATOM 332 CG GLU A 24 10.312 -5.670 -5.488 1.00 0.00 C ATOM 333 CD GLU A 24 10.355 -7.012 -6.192 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.107 -7.898 -5.733 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.638 -7.177 -7.201 1.00 0.00 O ATOM 0 H GLU A 24 13.736 -3.558 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 24 11.125 -3.119 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.338 -5.355 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.131 -5.531 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.809 -5.784 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.717 -4.973 -6.079 1.00 0.00 H new ATOM 342 N ILE A 25 10.243 -2.109 -3.821 1.00 0.00 N ATOM 343 CA ILE A 25 9.553 -1.634 -2.628 1.00 0.00 C ATOM 344 C ILE A 25 8.659 -2.721 -2.040 1.00 0.00 C ATOM 345 O ILE A 25 8.224 -3.631 -2.747 1.00 0.00 O ATOM 346 CB ILE A 25 8.698 -0.389 -2.930 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.567 0.722 -3.522 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.000 0.093 -1.667 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.772 1.899 -4.042 1.00 0.00 C ATOM 0 H ILE A 25 10.060 -1.560 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 25 10.323 -1.369 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 25 7.937 -0.658 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.263 1.072 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.165 0.310 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.400 0.973 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.354 -0.697 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.746 0.349 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.453 2.648 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.095 1.562 -4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.195 2.336 -3.228 1.00 0.00 H new ATOM 361 N CYS A 26 8.388 -2.619 -0.744 1.00 0.00 N ATOM 362 CA CYS A 26 7.544 -3.593 -0.060 1.00 0.00 C ATOM 363 C CYS A 26 6.684 -2.917 1.002 1.00 0.00 C ATOM 364 O CYS A 26 7.192 -2.186 1.854 1.00 0.00 O ATOM 365 CB CYS A 26 8.404 -4.684 0.580 1.00 0.00 C ATOM 366 SG CYS A 26 9.244 -4.166 2.095 1.00 0.00 S ATOM 0 H CYS A 26 8.740 -1.872 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 26 6.884 -4.048 -0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.774 -5.545 0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.151 -5.014 -0.142 1.00 0.00 H new ATOM 0 HG CYS A 26 8.709 -3.065 2.533 1.00 0.00 H new ATOM 372 N LEU A 27 5.380 -3.163 0.946 1.00 0.00 N ATOM 373 CA LEU A 27 4.448 -2.577 1.903 1.00 0.00 C ATOM 374 C LEU A 27 3.373 -3.582 2.303 1.00 0.00 C ATOM 375 O LEU A 27 2.568 -4.008 1.475 1.00 0.00 O ATOM 376 CB LEU A 27 3.798 -1.326 1.310 1.00 0.00 C ATOM 377 CG LEU A 27 4.684 -0.083 1.229 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.025 0.987 0.372 1.00 0.00 C ATOM 379 CD2 LEU A 27 4.980 0.454 2.621 1.00 0.00 C ATOM 0 H LEU A 27 4.944 -3.765 0.247 1.00 0.00 H new ATOM 0 HA LEU A 27 5.009 -2.300 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.448 -1.564 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.918 -1.082 1.905 1.00 0.00 H new ATOM 0 HG LEU A 27 5.628 -0.364 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.670 1.864 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.866 0.600 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.066 1.264 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.612 1.339 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.045 0.718 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.495 -0.310 3.204 1.00 0.00 H new ATOM 391 N LYS A 28 3.365 -3.957 3.577 1.00 0.00 N ATOM 392 CA LYS A 28 2.388 -4.910 4.089 1.00 0.00 C ATOM 393 C LYS A 28 1.799 -4.428 5.412 1.00 0.00 C ATOM 394 O LYS A 28 2.417 -3.637 6.125 1.00 0.00 O ATOM 395 CB LYS A 28 3.034 -6.284 4.277 1.00 0.00 C ATOM 396 CG LYS A 28 2.034 -7.394 4.550 1.00 0.00 C ATOM 397 CD LYS A 28 2.697 -8.761 4.525 1.00 0.00 C ATOM 398 CE LYS A 28 3.512 -9.008 5.785 1.00 0.00 C ATOM 399 NZ LYS A 28 4.882 -8.433 5.682 1.00 0.00 N ATOM 0 H LYS A 28 4.025 -3.615 4.275 1.00 0.00 H new ATOM 0 HA LYS A 28 1.582 -4.992 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.605 -6.533 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.742 -6.233 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.567 -7.233 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.239 -7.360 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.935 -9.534 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.344 -8.837 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.998 -8.571 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.581 -10.080 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.579 -9.137 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.076 -8.173 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.949 -7.586 6.282 1.00 0.00 H new ATOM 413 N CYS A 29 0.604 -4.910 5.733 1.00 0.00 N ATOM 414 CA CYS A 29 -0.067 -4.529 6.970 1.00 0.00 C ATOM 415 C CYS A 29 -1.003 -5.636 7.445 1.00 0.00 C ATOM 416 O CYS A 29 -1.606 -6.341 6.636 1.00 0.00 O ATOM 417 CB CYS A 29 -0.852 -3.232 6.771 1.00 0.00 C ATOM 418 SG CYS A 29 -1.989 -3.266 5.365 1.00 0.00 S ATOM 0 H CYS A 29 0.080 -5.566 5.154 1.00 0.00 H new ATOM 0 HA CYS A 29 0.695 -4.370 7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.419 -3.020 7.678 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.148 -2.411 6.636 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.608 -2.126 5.280 1.00 0.00 H new ATOM 424 N GLU A 30 -1.117 -5.784 8.761 1.00 0.00 N ATOM 425 CA GLU A 30 -1.978 -6.807 9.342 1.00 0.00 C ATOM 426 C GLU A 30 -3.217 -6.181 9.976 1.00 0.00 C ATOM 427 O GLU A 30 -3.115 -5.244 10.769 1.00 0.00 O ATOM 428 CB GLU A 30 -1.210 -7.617 10.389 1.00 0.00 C ATOM 429 CG GLU A 30 -1.933 -8.877 10.835 1.00 0.00 C ATOM 430 CD GLU A 30 -1.382 -9.438 12.131 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.974 -8.637 12.999 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.360 -10.678 12.279 1.00 0.00 O ATOM 0 H GLU A 30 -0.624 -5.209 9.444 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.299 -7.473 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.237 -7.892 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.025 -6.987 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.993 -8.658 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.854 -9.633 10.054 1.00 0.00 H new ATOM 439 N ILE A 31 -4.385 -6.705 9.620 1.00 0.00 N ATOM 440 CA ILE A 31 -5.643 -6.198 10.154 1.00 0.00 C ATOM 441 C ILE A 31 -6.459 -7.316 10.794 1.00 0.00 C ATOM 442 O ILE A 31 -6.187 -8.497 10.580 1.00 0.00 O ATOM 443 CB ILE A 31 -6.489 -5.523 9.058 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.609 -6.441 7.839 1.00 0.00 C ATOM 445 CG2 ILE A 31 -5.877 -4.187 8.664 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.571 -5.929 6.791 1.00 0.00 C ATOM 0 H ILE A 31 -4.486 -7.480 8.964 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.388 -5.458 10.912 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.489 -5.340 9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.624 -6.564 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.934 -7.428 8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.486 -3.722 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.838 -3.533 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.868 -4.347 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.606 -6.629 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.566 -5.833 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.236 -4.955 6.434 1.00 0.00 H new ATOM 458 N SER A 32 -7.461 -6.935 11.580 1.00 0.00 N ATOM 459 CA SER A 32 -8.316 -7.905 12.253 1.00 0.00 C ATOM 460 C SER A 32 -9.530 -8.248 11.395 1.00 0.00 C ATOM 461 O SER A 32 -10.639 -8.404 11.904 1.00 0.00 O ATOM 462 CB SER A 32 -8.773 -7.360 13.608 1.00 0.00 C ATOM 463 OG SER A 32 -9.372 -8.378 14.391 1.00 0.00 O ATOM 0 H SER A 32 -7.700 -5.961 11.766 1.00 0.00 H new ATOM 0 HA SER A 32 -7.736 -8.814 12.411 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.920 -6.941 14.142 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.484 -6.548 13.456 1.00 0.00 H new ATOM 0 HG SER A 32 -10.112 -8.782 13.892 1.00 0.00 H new ATOM 469 N GLU A 33 -9.310 -8.362 10.089 1.00 0.00 N ATOM 470 CA GLU A 33 -10.385 -8.686 9.159 1.00 0.00 C ATOM 471 C GLU A 33 -9.827 -9.259 7.859 1.00 0.00 C ATOM 472 O GLU A 33 -8.736 -8.893 7.425 1.00 0.00 O ATOM 473 CB GLU A 33 -11.223 -7.440 8.861 1.00 0.00 C ATOM 474 CG GLU A 33 -12.368 -7.229 9.838 1.00 0.00 C ATOM 475 CD GLU A 33 -13.152 -8.499 10.101 1.00 0.00 C ATOM 476 OE1 GLU A 33 -12.740 -9.278 10.987 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.178 -8.716 9.423 1.00 0.00 O ATOM 0 H GLU A 33 -8.397 -8.235 9.651 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.019 -9.440 9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.575 -6.564 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.627 -7.517 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.972 -6.850 10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.040 -6.466 9.445 1.00 0.00 H new ATOM 484 N ASN A 34 -10.585 -10.162 7.245 1.00 0.00 N ATOM 485 CA ASN A 34 -10.166 -10.788 5.996 1.00 0.00 C ATOM 486 C ASN A 34 -10.957 -10.231 4.816 1.00 0.00 C ATOM 487 O ASN A 34 -11.296 -10.960 3.883 1.00 0.00 O ATOM 488 CB ASN A 34 -10.347 -12.305 6.075 1.00 0.00 C ATOM 489 CG ASN A 34 -11.735 -12.744 5.652 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.735 -12.142 6.042 1.00 0.00 O ATOM 491 ND2 ASN A 34 -11.802 -13.800 4.849 1.00 0.00 N ATOM 0 H ASN A 34 -11.491 -10.476 7.592 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.111 -10.563 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.606 -12.790 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.159 -12.638 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.709 -14.142 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.947 -14.269 4.550 1.00 0.00 H new ATOM 498 N ILE A 35 -11.248 -8.936 4.865 1.00 0.00 N ATOM 499 CA ILE A 35 -11.998 -8.281 3.800 1.00 0.00 C ATOM 500 C ILE A 35 -11.062 -7.603 2.805 1.00 0.00 C ATOM 501 O ILE A 35 -10.002 -7.089 3.164 1.00 0.00 O ATOM 502 CB ILE A 35 -12.978 -7.234 4.362 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.209 -6.084 5.017 1.00 0.00 C ATOM 504 CG2 ILE A 35 -13.927 -7.880 5.361 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.817 -4.991 4.048 1.00 0.00 C ATOM 0 H ILE A 35 -10.976 -8.319 5.631 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.565 -9.059 3.289 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.567 -6.830 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.821 -5.653 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.310 -6.481 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.613 -7.128 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.495 -8.668 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.354 -8.307 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.276 -4.209 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.179 -5.407 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.713 -4.567 3.595 1.00 0.00 H new ATOM 517 N PRO A 36 -11.462 -7.597 1.525 1.00 0.00 N ATOM 518 CA PRO A 36 -10.675 -6.983 0.452 1.00 0.00 C ATOM 519 C PRO A 36 -10.647 -5.462 0.552 1.00 0.00 C ATOM 520 O PRO A 36 -11.627 -4.839 0.959 1.00 0.00 O ATOM 521 CB PRO A 36 -11.405 -7.422 -0.820 1.00 0.00 C ATOM 522 CG PRO A 36 -12.806 -7.676 -0.384 1.00 0.00 C ATOM 523 CD PRO A 36 -12.715 -8.191 1.027 1.00 0.00 C ATOM 0 HA PRO A 36 -9.630 -7.290 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.363 -6.649 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.954 -8.318 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.400 -6.763 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.291 -8.404 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.572 -7.881 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.683 -9.280 1.056 1.00 0.00 H new ATOM 531 N GLY A 37 -9.518 -4.869 0.176 1.00 0.00 N ATOM 532 CA GLY A 37 -9.385 -3.425 0.231 1.00 0.00 C ATOM 533 C GLY A 37 -8.660 -2.863 -0.976 1.00 0.00 C ATOM 534 O GLY A 37 -8.159 -3.614 -1.814 1.00 0.00 O ATOM 0 H GLY A 37 -8.693 -5.363 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.375 -2.974 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.846 -3.147 1.137 1.00 0.00 H new ATOM 538 N LYS A 38 -8.605 -1.539 -1.068 1.00 0.00 N ATOM 539 CA LYS A 38 -7.937 -0.876 -2.182 1.00 0.00 C ATOM 540 C LYS A 38 -6.862 0.083 -1.679 1.00 0.00 C ATOM 541 O LYS A 38 -6.878 0.494 -0.519 1.00 0.00 O ATOM 542 CB LYS A 38 -8.955 -0.116 -3.035 1.00 0.00 C ATOM 543 CG LYS A 38 -9.852 -1.021 -3.862 1.00 0.00 C ATOM 544 CD LYS A 38 -9.188 -1.420 -5.169 1.00 0.00 C ATOM 545 CE LYS A 38 -9.223 -0.285 -6.181 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.454 -0.325 -7.017 1.00 0.00 N ATOM 0 H LYS A 38 -9.015 -0.903 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.459 -1.641 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.575 0.499 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.423 0.562 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.096 -1.915 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.792 -0.510 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.154 -1.708 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.692 -2.293 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.170 0.670 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.345 -0.345 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.440 0.465 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.492 -1.225 -7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.291 -0.242 -6.406 1.00 0.00 H new ATOM 560 N TRP A 39 -5.933 0.436 -2.559 1.00 0.00 N ATOM 561 CA TRP A 39 -4.852 1.349 -2.204 1.00 0.00 C ATOM 562 C TRP A 39 -5.002 2.681 -2.931 1.00 0.00 C ATOM 563 O TRP A 39 -5.577 2.745 -4.018 1.00 0.00 O ATOM 564 CB TRP A 39 -3.497 0.722 -2.538 1.00 0.00 C ATOM 565 CG TRP A 39 -3.232 -0.551 -1.792 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.929 -1.721 -1.894 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.197 -0.781 -0.829 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.390 -2.664 -1.052 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.326 -2.112 -0.389 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.173 0.008 -0.298 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.470 -2.669 0.558 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.325 -0.546 0.641 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.477 -1.874 1.061 1.00 0.00 C ATOM 0 H TRP A 39 -5.906 0.104 -3.523 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.905 1.534 -1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.450 0.524 -3.609 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.707 1.439 -2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.779 -1.882 -2.541 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.728 -3.620 -0.939 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.047 1.032 -0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.586 -3.692 0.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.469 0.055 1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.203 -2.278 1.796 1.00 0.00 H new ATOM 584 N THR A 40 -4.482 3.743 -2.324 1.00 0.00 N ATOM 585 CA THR A 40 -4.560 5.074 -2.914 1.00 0.00 C ATOM 586 C THR A 40 -3.289 5.871 -2.641 1.00 0.00 C ATOM 587 O THR A 40 -2.784 5.889 -1.518 1.00 0.00 O ATOM 588 CB THR A 40 -5.770 5.858 -2.374 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.737 5.885 -0.943 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.074 5.231 -2.844 1.00 0.00 C ATOM 0 H THR A 40 -4.002 3.708 -1.424 1.00 0.00 H new ATOM 0 HA THR A 40 -4.676 4.937 -3.989 1.00 0.00 H new ATOM 0 HB THR A 40 -5.716 6.877 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.068 5.246 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.915 5.802 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.109 5.238 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.134 4.203 -2.486 1.00 0.00 H new ATOM 598 N LYS A 41 -2.777 6.532 -3.674 1.00 0.00 N ATOM 599 CA LYS A 41 -1.566 7.334 -3.545 1.00 0.00 C ATOM 600 C LYS A 41 -1.853 8.802 -3.841 1.00 0.00 C ATOM 601 O LYS A 41 -2.669 9.124 -4.704 1.00 0.00 O ATOM 602 CB LYS A 41 -0.483 6.813 -4.493 1.00 0.00 C ATOM 603 CG LYS A 41 0.931 7.101 -4.016 1.00 0.00 C ATOM 604 CD LYS A 41 1.431 8.440 -4.530 1.00 0.00 C ATOM 605 CE LYS A 41 1.889 8.347 -5.977 1.00 0.00 C ATOM 606 NZ LYS A 41 0.750 8.462 -6.929 1.00 0.00 N ATOM 0 H LYS A 41 -3.182 6.528 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.212 7.252 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.605 5.737 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.625 7.262 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.956 7.096 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.598 6.308 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.637 9.182 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.257 8.784 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.613 9.136 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.400 7.397 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.046 9.013 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.453 7.512 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.046 8.941 -6.462 1.00 0.00 H new ATOM 620 N ASN A 42 -1.175 9.690 -3.121 1.00 0.00 N ATOM 621 CA ASN A 42 -1.356 11.125 -3.307 1.00 0.00 C ATOM 622 C ASN A 42 -2.837 11.480 -3.384 1.00 0.00 C ATOM 623 O ASN A 42 -3.230 12.398 -4.103 1.00 0.00 O ATOM 624 CB ASN A 42 -0.642 11.589 -4.578 1.00 0.00 C ATOM 625 CG ASN A 42 0.805 11.964 -4.324 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.135 12.544 -3.289 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.677 11.635 -5.271 1.00 0.00 N ATOM 0 H ASN A 42 -0.495 9.441 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.922 11.636 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.683 10.796 -5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.169 12.447 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.665 11.863 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.359 11.155 -6.113 1.00 0.00 H new ATOM 634 N GLY A 43 -3.656 10.746 -2.636 1.00 0.00 N ATOM 635 CA GLY A 43 -5.085 10.999 -2.634 1.00 0.00 C ATOM 636 C GLY A 43 -5.741 10.637 -3.951 1.00 0.00 C ATOM 637 O GLY A 43 -6.725 11.258 -4.356 1.00 0.00 O ATOM 0 H GLY A 43 -3.355 9.981 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.551 10.428 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.264 12.053 -2.421 1.00 0.00 H new ATOM 641 N LEU A 44 -5.196 9.630 -4.624 1.00 0.00 N ATOM 642 CA LEU A 44 -5.733 9.186 -5.906 1.00 0.00 C ATOM 643 C LEU A 44 -5.750 7.663 -5.991 1.00 0.00 C ATOM 644 O LEU A 44 -4.936 6.973 -5.377 1.00 0.00 O ATOM 645 CB LEU A 44 -4.905 9.763 -7.056 1.00 0.00 C ATOM 646 CG LEU A 44 -4.958 11.282 -7.225 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.864 11.752 -8.171 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.326 11.715 -7.731 1.00 0.00 C ATOM 0 H LEU A 44 -4.382 9.105 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.758 9.548 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.865 9.470 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.240 9.302 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.791 11.743 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.917 12.835 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.890 11.475 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.999 11.283 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.345 12.799 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.523 11.245 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.091 11.412 -7.016 1.00 0.00 H new ATOM 660 N PRO A 45 -6.698 7.125 -6.772 1.00 0.00 N ATOM 661 CA PRO A 45 -6.843 5.678 -6.959 1.00 0.00 C ATOM 662 C PRO A 45 -5.698 5.081 -7.769 1.00 0.00 C ATOM 663 O PRO A 45 -5.581 5.323 -8.971 1.00 0.00 O ATOM 664 CB PRO A 45 -8.163 5.549 -7.723 1.00 0.00 C ATOM 665 CG PRO A 45 -8.319 6.850 -8.431 1.00 0.00 C ATOM 666 CD PRO A 45 -7.702 7.887 -7.534 1.00 0.00 C ATOM 0 HA PRO A 45 -6.830 5.141 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.134 4.717 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.996 5.365 -7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.823 6.828 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.370 7.070 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.244 8.693 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.443 8.343 -6.878 1.00 0.00 H new ATOM 674 N VAL A 46 -4.854 4.298 -7.105 1.00 0.00 N ATOM 675 CA VAL A 46 -3.718 3.664 -7.764 1.00 0.00 C ATOM 676 C VAL A 46 -4.174 2.801 -8.936 1.00 0.00 C ATOM 677 O VAL A 46 -5.177 2.094 -8.844 1.00 0.00 O ATOM 678 CB VAL A 46 -2.913 2.793 -6.782 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.766 2.098 -7.500 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.396 3.634 -5.625 1.00 0.00 C ATOM 0 H VAL A 46 -4.935 4.087 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.079 4.466 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.574 2.027 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.209 1.487 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.164 1.462 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.102 2.846 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.829 3.002 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.750 4.423 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.238 4.080 -5.095 1.00 0.00 H new ATOM 690 N GLN A 47 -3.430 2.865 -10.035 1.00 0.00 N ATOM 691 CA GLN A 47 -3.759 2.089 -11.225 1.00 0.00 C ATOM 692 C GLN A 47 -2.870 0.854 -11.332 1.00 0.00 C ATOM 693 O GLN A 47 -1.721 0.941 -11.764 1.00 0.00 O ATOM 694 CB GLN A 47 -3.607 2.951 -12.480 1.00 0.00 C ATOM 695 CG GLN A 47 -2.517 4.005 -12.366 1.00 0.00 C ATOM 696 CD GLN A 47 -2.979 5.244 -11.623 1.00 0.00 C ATOM 697 OE1 GLN A 47 -3.946 5.895 -12.018 1.00 0.00 O ATOM 698 NE2 GLN A 47 -2.288 5.576 -10.539 1.00 0.00 N ATOM 0 H GLN A 47 -2.596 3.445 -10.126 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.795 1.763 -11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.389 2.305 -13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.557 3.443 -12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.656 3.578 -11.852 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.184 4.288 -13.365 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.493 5.008 -10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.552 6.399 -9.998 1.00 0.00 H new ATOM 707 N GLU A 48 -3.411 -0.294 -10.936 1.00 0.00 N ATOM 708 CA GLU A 48 -2.666 -1.546 -10.987 1.00 0.00 C ATOM 709 C GLU A 48 -1.976 -1.714 -12.337 1.00 0.00 C ATOM 710 O GLU A 48 -2.387 -1.121 -13.334 1.00 0.00 O ATOM 711 CB GLU A 48 -3.598 -2.731 -10.727 1.00 0.00 C ATOM 712 CG GLU A 48 -3.897 -2.960 -9.255 1.00 0.00 C ATOM 713 CD GLU A 48 -4.947 -4.031 -9.032 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.627 -5.224 -9.213 1.00 0.00 O ATOM 715 OE2 GLU A 48 -6.090 -3.675 -8.676 1.00 0.00 O ATOM 0 H GLU A 48 -4.362 -0.383 -10.577 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.903 -1.516 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.536 -2.568 -11.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.149 -3.633 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.979 -3.245 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.236 -2.026 -8.807 1.00 0.00 H new ATOM 722 N SER A 49 -0.924 -2.526 -12.360 1.00 0.00 N ATOM 723 CA SER A 49 -0.173 -2.770 -13.587 1.00 0.00 C ATOM 724 C SER A 49 0.739 -3.984 -13.434 1.00 0.00 C ATOM 725 O SER A 49 0.893 -4.523 -12.338 1.00 0.00 O ATOM 726 CB SER A 49 0.657 -1.538 -13.955 1.00 0.00 C ATOM 727 OG SER A 49 0.849 -1.453 -15.356 1.00 0.00 O ATOM 0 H SER A 49 -0.572 -3.026 -11.544 1.00 0.00 H new ATOM 0 HA SER A 49 -0.886 -2.972 -14.386 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.156 -0.638 -13.598 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.624 -1.584 -13.454 1.00 0.00 H new ATOM 0 HG SER A 49 1.381 -0.657 -15.566 1.00 0.00 H new ATOM 733 N ASP A 50 1.339 -4.407 -14.540 1.00 0.00 N ATOM 734 CA ASP A 50 2.237 -5.557 -14.531 1.00 0.00 C ATOM 735 C ASP A 50 3.412 -5.321 -13.587 1.00 0.00 C ATOM 736 O ASP A 50 4.119 -6.257 -13.214 1.00 0.00 O ATOM 737 CB ASP A 50 2.750 -5.842 -15.943 1.00 0.00 C ATOM 738 CG ASP A 50 1.687 -6.459 -16.831 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.488 -6.275 -16.536 1.00 0.00 O ATOM 740 OD2 ASP A 50 2.054 -7.125 -17.822 1.00 0.00 O ATOM 0 H ASP A 50 1.221 -3.972 -15.455 1.00 0.00 H new ATOM 0 HA ASP A 50 1.677 -6.422 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.101 -4.914 -16.393 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.607 -6.513 -15.887 1.00 0.00 H new ATOM 745 N ARG A 51 3.616 -4.064 -13.207 1.00 0.00 N ATOM 746 CA ARG A 51 4.707 -3.704 -12.309 1.00 0.00 C ATOM 747 C ARG A 51 4.192 -3.481 -10.890 1.00 0.00 C ATOM 748 O ARG A 51 4.974 -3.388 -9.942 1.00 0.00 O ATOM 749 CB ARG A 51 5.414 -2.444 -12.811 1.00 0.00 C ATOM 750 CG ARG A 51 4.464 -1.308 -13.153 1.00 0.00 C ATOM 751 CD ARG A 51 5.217 -0.080 -13.639 1.00 0.00 C ATOM 752 NE ARG A 51 4.326 0.903 -14.248 1.00 0.00 N ATOM 753 CZ ARG A 51 3.637 1.801 -13.553 1.00 0.00 C ATOM 754 NH1 ARG A 51 3.738 1.841 -12.231 1.00 0.00 N ATOM 755 NH2 ARG A 51 2.846 2.663 -14.179 1.00 0.00 N ATOM 0 H ARG A 51 3.040 -3.278 -13.507 1.00 0.00 H new ATOM 0 HA ARG A 51 5.419 -4.529 -12.293 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.115 -2.103 -12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.001 -2.694 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.765 -1.636 -13.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.873 -1.050 -12.275 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.743 0.378 -12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.973 -0.382 -14.364 1.00 0.00 H new ATOM 0 HE ARG A 51 4.227 0.900 -15.263 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.346 1.181 -11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.208 2.532 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.766 2.637 -15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.318 3.352 -13.644 1.00 0.00 H new ATOM 769 N LEU A 52 2.874 -3.396 -10.751 1.00 0.00 N ATOM 770 CA LEU A 52 2.254 -3.183 -9.448 1.00 0.00 C ATOM 771 C LEU A 52 1.190 -4.240 -9.172 1.00 0.00 C ATOM 772 O LEU A 52 0.075 -4.165 -9.690 1.00 0.00 O ATOM 773 CB LEU A 52 1.633 -1.787 -9.378 1.00 0.00 C ATOM 774 CG LEU A 52 1.390 -1.230 -7.975 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.362 0.290 -8.002 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.092 -1.779 -7.401 1.00 0.00 C ATOM 0 H LEU A 52 2.214 -3.471 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 52 3.029 -3.267 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.282 -1.095 -9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.681 -1.808 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 52 2.211 -1.546 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.188 0.669 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.317 0.665 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.561 0.628 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.065 -1.372 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.740 -1.493 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.150 -2.866 -7.345 1.00 0.00 H new ATOM 788 N LYS A 53 1.539 -5.224 -8.350 1.00 0.00 N ATOM 789 CA LYS A 53 0.613 -6.296 -8.002 1.00 0.00 C ATOM 790 C LYS A 53 0.182 -6.188 -6.542 1.00 0.00 C ATOM 791 O LYS A 53 1.010 -5.986 -5.653 1.00 0.00 O ATOM 792 CB LYS A 53 1.261 -7.659 -8.254 1.00 0.00 C ATOM 793 CG LYS A 53 0.258 -8.789 -8.408 1.00 0.00 C ATOM 794 CD LYS A 53 0.874 -9.991 -9.106 1.00 0.00 C ATOM 795 CE LYS A 53 0.216 -11.289 -8.664 1.00 0.00 C ATOM 796 NZ LYS A 53 0.387 -12.369 -9.675 1.00 0.00 N ATOM 0 H LYS A 53 2.457 -5.301 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.271 -6.199 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.872 -7.601 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.933 -7.891 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.110 -9.086 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.602 -8.438 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.771 -9.879 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.942 -10.031 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.645 -11.609 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.847 -11.117 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.075 -13.237 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.045 -12.074 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.401 -12.551 -9.821 1.00 0.00 H new ATOM 810 N VAL A 54 -1.118 -6.327 -6.302 1.00 0.00 N ATOM 811 CA VAL A 54 -1.658 -6.248 -4.950 1.00 0.00 C ATOM 812 C VAL A 54 -2.032 -7.630 -4.427 1.00 0.00 C ATOM 813 O VAL A 54 -3.094 -8.163 -4.751 1.00 0.00 O ATOM 814 CB VAL A 54 -2.899 -5.337 -4.894 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.461 -5.287 -3.482 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.557 -3.940 -5.390 1.00 0.00 C ATOM 0 H VAL A 54 -1.816 -6.495 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.876 -5.823 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.664 -5.753 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.337 -4.639 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.745 -6.291 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.704 -4.895 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.445 -3.310 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.775 -3.512 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.205 -3.996 -6.420 1.00 0.00 H new ATOM 826 N VAL A 55 -1.152 -8.207 -3.614 1.00 0.00 N ATOM 827 CA VAL A 55 -1.390 -9.528 -3.044 1.00 0.00 C ATOM 828 C VAL A 55 -2.107 -9.426 -1.702 1.00 0.00 C ATOM 829 O VAL A 55 -1.787 -8.566 -0.881 1.00 0.00 O ATOM 830 CB VAL A 55 -0.073 -10.302 -2.852 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.330 -11.630 -2.156 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.619 -10.516 -4.189 1.00 0.00 C ATOM 0 H VAL A 55 -0.268 -7.780 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.021 -10.068 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 55 0.587 -9.710 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.612 -12.163 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.778 -11.448 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.009 -12.232 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.548 -11.065 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.034 -11.087 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.839 -9.550 -4.643 1.00 0.00 H new ATOM 842 N GLN A 56 -3.077 -10.308 -1.487 1.00 0.00 N ATOM 843 CA GLN A 56 -3.840 -10.317 -0.244 1.00 0.00 C ATOM 844 C GLN A 56 -3.819 -11.700 0.398 1.00 0.00 C ATOM 845 O GLN A 56 -4.092 -12.705 -0.259 1.00 0.00 O ATOM 846 CB GLN A 56 -5.283 -9.883 -0.504 1.00 0.00 C ATOM 847 CG GLN A 56 -6.100 -9.696 0.765 1.00 0.00 C ATOM 848 CD GLN A 56 -7.570 -9.457 0.482 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.996 -9.432 -0.673 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.355 -9.279 1.539 1.00 0.00 N ATOM 0 H GLN A 56 -3.354 -11.026 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.375 -9.611 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.277 -8.948 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.770 -10.628 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.994 -10.580 1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.701 -8.853 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.959 -9.308 2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.353 -9.114 1.411 1.00 0.00 H new ATOM 859 N LYS A 57 -3.494 -11.745 1.685 1.00 0.00 N ATOM 860 CA LYS A 57 -3.438 -13.005 2.417 1.00 0.00 C ATOM 861 C LYS A 57 -4.367 -12.972 3.627 1.00 0.00 C ATOM 862 O LYS A 57 -3.992 -12.494 4.697 1.00 0.00 O ATOM 863 CB LYS A 57 -2.005 -13.293 2.869 1.00 0.00 C ATOM 864 CG LYS A 57 -1.129 -13.880 1.776 1.00 0.00 C ATOM 865 CD LYS A 57 -1.230 -15.395 1.734 1.00 0.00 C ATOM 866 CE LYS A 57 -0.238 -16.047 2.685 1.00 0.00 C ATOM 867 NZ LYS A 57 -0.768 -16.119 4.075 1.00 0.00 N ATOM 0 H LYS A 57 -3.265 -10.923 2.244 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.768 -13.800 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.553 -12.368 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.031 -13.983 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.424 -13.468 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.092 -13.588 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.243 -15.701 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.046 -15.745 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.004 -17.052 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.694 -15.482 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.343 -16.931 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.530 -15.243 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.801 -16.233 4.047 1.00 0.00 H new ATOM 881 N GLY A 58 -5.580 -13.486 3.450 1.00 0.00 N ATOM 882 CA GLY A 58 -6.542 -13.507 4.537 1.00 0.00 C ATOM 883 C GLY A 58 -6.716 -12.147 5.183 1.00 0.00 C ATOM 884 O GLY A 58 -7.361 -11.262 4.620 1.00 0.00 O ATOM 0 H GLY A 58 -5.914 -13.888 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.504 -13.852 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.219 -14.225 5.291 1.00 0.00 H new ATOM 888 N ARG A 59 -6.142 -11.980 6.370 1.00 0.00 N ATOM 889 CA ARG A 59 -6.239 -10.719 7.095 1.00 0.00 C ATOM 890 C ARG A 59 -4.952 -9.912 6.957 1.00 0.00 C ATOM 891 O ARG A 59 -4.474 -9.317 7.924 1.00 0.00 O ATOM 892 CB ARG A 59 -6.536 -10.978 8.574 1.00 0.00 C ATOM 893 CG ARG A 59 -7.721 -11.901 8.804 1.00 0.00 C ATOM 894 CD ARG A 59 -8.179 -11.868 10.254 1.00 0.00 C ATOM 895 NE ARG A 59 -9.544 -12.362 10.409 1.00 0.00 N ATOM 896 CZ ARG A 59 -10.029 -12.835 11.551 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.265 -12.878 12.633 1.00 0.00 N ATOM 898 NH2 ARG A 59 -11.283 -13.267 11.613 1.00 0.00 N ATOM 0 H ARG A 59 -5.605 -12.702 6.850 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.057 -10.142 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.652 -11.411 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.726 -10.026 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.545 -11.606 8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.448 -12.920 8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.504 -12.472 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.118 -10.847 10.630 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.159 -12.343 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.301 -12.547 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.641 -13.242 13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.875 -13.236 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.654 -13.630 12.491 1.00 0.00 H new ATOM 912 N ILE A 60 -4.396 -9.896 5.751 1.00 0.00 N ATOM 913 CA ILE A 60 -3.164 -9.162 5.487 1.00 0.00 C ATOM 914 C ILE A 60 -3.115 -8.671 4.044 1.00 0.00 C ATOM 915 O ILE A 60 -3.498 -9.389 3.120 1.00 0.00 O ATOM 916 CB ILE A 60 -1.922 -10.028 5.765 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.985 -10.610 7.179 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.653 -9.209 5.580 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.888 -11.610 7.470 1.00 0.00 C ATOM 0 H ILE A 60 -4.779 -10.383 4.941 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.157 -8.305 6.160 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.906 -10.853 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.924 -9.796 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.952 -11.092 7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.217 -9.835 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.605 -8.838 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.660 -8.366 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.995 -11.981 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.961 -12.443 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.083 -11.127 7.359 1.00 0.00 H new ATOM 931 N HIS A 61 -2.641 -7.443 3.858 1.00 0.00 N ATOM 932 CA HIS A 61 -2.539 -6.856 2.527 1.00 0.00 C ATOM 933 C HIS A 61 -1.105 -6.428 2.230 1.00 0.00 C ATOM 934 O HIS A 61 -0.493 -5.690 3.004 1.00 0.00 O ATOM 935 CB HIS A 61 -3.478 -5.657 2.402 1.00 0.00 C ATOM 936 CG HIS A 61 -4.929 -6.024 2.453 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.636 -6.454 1.350 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.806 -6.026 3.484 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.886 -6.702 1.700 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.015 -6.451 2.990 1.00 0.00 N ATOM 0 H HIS A 61 -2.322 -6.835 4.612 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.831 -7.614 1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.262 -4.952 3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.275 -5.143 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.594 -5.746 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.669 -7.051 1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.873 -6.556 3.532 1.00 0.00 H new ATOM 949 N LYS A 62 -0.574 -6.895 1.106 1.00 0.00 N ATOM 950 CA LYS A 62 0.788 -6.561 0.706 1.00 0.00 C ATOM 951 C LYS A 62 0.804 -5.899 -0.669 1.00 0.00 C ATOM 952 O LYS A 62 -0.040 -6.188 -1.518 1.00 0.00 O ATOM 953 CB LYS A 62 1.660 -7.818 0.688 1.00 0.00 C ATOM 954 CG LYS A 62 3.091 -7.561 0.248 1.00 0.00 C ATOM 955 CD LYS A 62 3.759 -8.832 -0.247 1.00 0.00 C ATOM 956 CE LYS A 62 3.897 -9.859 0.865 1.00 0.00 C ATOM 957 NZ LYS A 62 4.883 -10.921 0.521 1.00 0.00 N ATOM 0 H LYS A 62 -1.066 -7.507 0.455 1.00 0.00 H new ATOM 0 HA LYS A 62 1.191 -5.857 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.669 -8.258 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.210 -8.552 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.100 -6.812 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.661 -7.150 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.176 -9.256 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.744 -8.594 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.206 -9.360 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.926 -10.315 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.948 -11.601 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.575 -11.414 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.815 -10.490 0.359 1.00 0.00 H new ATOM 971 N LEU A 63 1.769 -5.012 -0.882 1.00 0.00 N ATOM 972 CA LEU A 63 1.897 -4.310 -2.154 1.00 0.00 C ATOM 973 C LEU A 63 3.352 -3.952 -2.436 1.00 0.00 C ATOM 974 O LEU A 63 3.915 -3.056 -1.805 1.00 0.00 O ATOM 975 CB LEU A 63 1.040 -3.043 -2.148 1.00 0.00 C ATOM 976 CG LEU A 63 0.828 -2.370 -3.505 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.508 -1.642 -3.536 1.00 0.00 C ATOM 978 CD2 LEU A 63 1.968 -1.409 -3.807 1.00 0.00 C ATOM 0 H LEU A 63 2.475 -4.762 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 63 1.547 -4.975 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.064 -3.291 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.500 -2.320 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 63 0.816 -3.142 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.642 -1.169 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.315 -2.355 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.525 -0.880 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.801 -0.939 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.011 -0.641 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.910 -1.957 -3.827 1.00 0.00 H new ATOM 990 N VAL A 64 3.956 -4.656 -3.388 1.00 0.00 N ATOM 991 CA VAL A 64 5.346 -4.410 -3.755 1.00 0.00 C ATOM 992 C VAL A 64 5.455 -3.919 -5.195 1.00 0.00 C ATOM 993 O VAL A 64 4.823 -4.469 -6.098 1.00 0.00 O ATOM 994 CB VAL A 64 6.203 -5.679 -3.591 1.00 0.00 C ATOM 995 CG1 VAL A 64 6.117 -6.200 -2.164 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.769 -6.747 -4.584 1.00 0.00 C ATOM 0 H VAL A 64 3.505 -5.401 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 64 5.720 -3.639 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 64 7.242 -5.424 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.729 -7.097 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.480 -5.437 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.081 -6.440 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.385 -7.637 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.723 -7.001 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.887 -6.369 -5.600 1.00 0.00 H new ATOM 1006 N ILE A 65 6.260 -2.883 -5.402 1.00 0.00 N ATOM 1007 CA ILE A 65 6.453 -2.320 -6.732 1.00 0.00 C ATOM 1008 C ILE A 65 7.706 -2.885 -7.392 1.00 0.00 C ATOM 1009 O ILE A 65 8.735 -3.065 -6.741 1.00 0.00 O ATOM 1010 CB ILE A 65 6.561 -0.784 -6.683 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.517 -0.208 -5.724 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.391 -0.197 -8.076 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.549 1.301 -5.631 1.00 0.00 C ATOM 0 H ILE A 65 6.789 -2.416 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 65 5.579 -2.596 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 65 7.551 -0.515 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.525 -0.523 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.676 -0.629 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.470 0.889 -8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.169 -0.587 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.412 -0.472 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.782 1.639 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.528 1.623 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.359 1.730 -6.615 1.00 0.00 H new ATOM 1025 N ALA A 66 7.612 -3.162 -8.688 1.00 0.00 N ATOM 1026 CA ALA A 66 8.739 -3.703 -9.438 1.00 0.00 C ATOM 1027 C ALA A 66 9.988 -2.850 -9.243 1.00 0.00 C ATOM 1028 O ALA A 66 10.972 -3.298 -8.656 1.00 0.00 O ATOM 1029 CB ALA A 66 8.391 -3.803 -10.915 1.00 0.00 C ATOM 0 H ALA A 66 6.767 -3.021 -9.241 1.00 0.00 H new ATOM 0 HA ALA A 66 8.950 -4.702 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.242 -4.208 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.531 -4.460 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.151 -2.812 -11.300 1.00 0.00 H new ATOM 1035 N ASN A 67 9.941 -1.619 -9.741 1.00 0.00 N ATOM 1036 CA ASN A 67 11.070 -0.703 -9.623 1.00 0.00 C ATOM 1037 C ASN A 67 10.643 0.606 -8.965 1.00 0.00 C ATOM 1038 O ASN A 67 9.779 1.317 -9.477 1.00 0.00 O ATOM 1039 CB ASN A 67 11.672 -0.421 -11.001 1.00 0.00 C ATOM 1040 CG ASN A 67 11.754 -1.667 -11.862 1.00 0.00 C ATOM 1041 OD1 ASN A 67 11.004 -1.819 -12.826 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.668 -2.566 -11.515 1.00 0.00 N ATOM 0 H ASN A 67 9.134 -1.233 -10.230 1.00 0.00 H new ATOM 0 HA ASN A 67 11.824 -1.176 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.069 0.331 -11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.670 -0.000 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.770 -3.425 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.268 -2.398 -10.708 1.00 0.00 H new ATOM 1049 N ALA A 68 11.255 0.917 -7.827 1.00 0.00 N ATOM 1050 CA ALA A 68 10.940 2.141 -7.100 1.00 0.00 C ATOM 1051 C ALA A 68 11.347 3.374 -7.900 1.00 0.00 C ATOM 1052 O ALA A 68 12.533 3.617 -8.126 1.00 0.00 O ATOM 1053 CB ALA A 68 11.627 2.140 -5.743 1.00 0.00 C ATOM 0 H ALA A 68 11.972 0.338 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 68 9.861 2.178 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.383 3.060 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.285 1.283 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.706 2.076 -5.882 1.00 0.00 H new ATOM 1059 N LEU A 69 10.356 4.149 -8.327 1.00 0.00 N ATOM 1060 CA LEU A 69 10.610 5.358 -9.103 1.00 0.00 C ATOM 1061 C LEU A 69 10.434 6.605 -8.242 1.00 0.00 C ATOM 1062 O LEU A 69 9.920 6.534 -7.125 1.00 0.00 O ATOM 1063 CB LEU A 69 9.671 5.420 -10.309 1.00 0.00 C ATOM 1064 CG LEU A 69 9.857 4.326 -11.361 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.595 4.168 -12.195 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.051 4.640 -12.251 1.00 0.00 C ATOM 0 H LEU A 69 9.369 3.962 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 69 11.641 5.325 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.644 5.377 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.798 6.388 -10.794 1.00 0.00 H new ATOM 0 HG LEU A 69 10.049 3.384 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.746 3.385 -12.938 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.762 3.897 -11.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.372 5.108 -12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.169 3.851 -12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.888 5.592 -12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.953 4.702 -11.642 1.00 0.00 H new ATOM 1078 N THR A 70 10.861 7.747 -8.770 1.00 0.00 N ATOM 1079 CA THR A 70 10.750 9.010 -8.051 1.00 0.00 C ATOM 1080 C THR A 70 9.298 9.467 -7.964 1.00 0.00 C ATOM 1081 O THR A 70 8.949 10.296 -7.124 1.00 0.00 O ATOM 1082 CB THR A 70 11.585 10.116 -8.725 1.00 0.00 C ATOM 1083 OG1 THR A 70 11.604 9.919 -10.143 1.00 0.00 O ATOM 1084 CG2 THR A 70 13.008 10.122 -8.189 1.00 0.00 C ATOM 0 H THR A 70 11.287 7.824 -9.694 1.00 0.00 H new ATOM 0 HA THR A 70 11.135 8.836 -7.046 1.00 0.00 H new ATOM 0 HB THR A 70 11.125 11.078 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.135 10.627 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.578 10.911 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.991 10.301 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.476 9.158 -8.389 1.00 0.00 H new ATOM 1092 N GLU A 71 8.457 8.921 -8.836 1.00 0.00 N ATOM 1093 CA GLU A 71 7.042 9.274 -8.856 1.00 0.00 C ATOM 1094 C GLU A 71 6.242 8.364 -7.929 1.00 0.00 C ATOM 1095 O GLU A 71 5.076 8.630 -7.636 1.00 0.00 O ATOM 1096 CB GLU A 71 6.491 9.181 -10.281 1.00 0.00 C ATOM 1097 CG GLU A 71 6.975 7.959 -11.042 1.00 0.00 C ATOM 1098 CD GLU A 71 6.277 7.789 -12.378 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.054 7.534 -12.379 1.00 0.00 O ATOM 1100 OE2 GLU A 71 6.952 7.912 -13.421 1.00 0.00 O ATOM 0 H GLU A 71 8.730 8.233 -9.538 1.00 0.00 H new ATOM 0 HA GLU A 71 6.944 10.300 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.402 9.165 -10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.776 10.078 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.050 8.040 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.811 7.069 -10.435 1.00 0.00 H new ATOM 1107 N ASP A 72 6.875 7.290 -7.472 1.00 0.00 N ATOM 1108 CA ASP A 72 6.223 6.340 -6.578 1.00 0.00 C ATOM 1109 C ASP A 72 6.249 6.843 -5.138 1.00 0.00 C ATOM 1110 O ASP A 72 5.418 6.452 -4.319 1.00 0.00 O ATOM 1111 CB ASP A 72 6.905 4.973 -6.666 1.00 0.00 C ATOM 1112 CG ASP A 72 6.368 4.131 -7.806 1.00 0.00 C ATOM 1113 OD1 ASP A 72 5.422 4.584 -8.485 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.895 3.020 -8.021 1.00 0.00 O ATOM 0 H ASP A 72 7.840 7.055 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 72 5.184 6.240 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.978 5.113 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.765 4.439 -5.726 1.00 0.00 H new ATOM 1119 N GLU A 73 7.209 7.712 -4.837 1.00 0.00 N ATOM 1120 CA GLU A 73 7.344 8.267 -3.495 1.00 0.00 C ATOM 1121 C GLU A 73 6.358 9.411 -3.278 1.00 0.00 C ATOM 1122 O GLU A 73 6.126 10.224 -4.173 1.00 0.00 O ATOM 1123 CB GLU A 73 8.774 8.761 -3.265 1.00 0.00 C ATOM 1124 CG GLU A 73 9.688 7.712 -2.654 1.00 0.00 C ATOM 1125 CD GLU A 73 9.650 6.396 -3.405 1.00 0.00 C ATOM 1126 OE1 GLU A 73 9.712 6.421 -4.652 1.00 0.00 O ATOM 1127 OE2 GLU A 73 9.557 5.339 -2.745 1.00 0.00 O ATOM 0 H GLU A 73 7.904 8.047 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 73 7.121 7.477 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.194 9.088 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.748 9.633 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.711 8.089 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.398 7.543 -1.617 1.00 0.00 H new ATOM 1134 N GLY A 74 5.779 9.467 -2.083 1.00 0.00 N ATOM 1135 CA GLY A 74 4.824 10.514 -1.769 1.00 0.00 C ATOM 1136 C GLY A 74 4.024 10.213 -0.518 1.00 0.00 C ATOM 1137 O GLY A 74 4.511 10.397 0.598 1.00 0.00 O ATOM 0 H GLY A 74 5.954 8.806 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.354 11.458 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.143 10.644 -2.610 1.00 0.00 H new ATOM 1141 N ASP A 75 2.792 9.751 -0.702 1.00 0.00 N ATOM 1142 CA ASP A 75 1.922 9.424 0.422 1.00 0.00 C ATOM 1143 C ASP A 75 0.995 8.264 0.072 1.00 0.00 C ATOM 1144 O ASP A 75 0.119 8.393 -0.784 1.00 0.00 O ATOM 1145 CB ASP A 75 1.098 10.647 0.829 1.00 0.00 C ATOM 1146 CG ASP A 75 -0.179 10.270 1.553 1.00 0.00 C ATOM 1147 OD1 ASP A 75 -0.089 9.625 2.619 1.00 0.00 O ATOM 1148 OD2 ASP A 75 -1.269 10.620 1.054 1.00 0.00 O ATOM 0 H ASP A 75 2.373 9.594 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 75 2.550 9.123 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.700 11.290 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.850 11.227 -0.060 1.00 0.00 H new ATOM 1153 N TYR A 76 1.194 7.133 0.739 1.00 0.00 N ATOM 1154 CA TYR A 76 0.378 5.949 0.496 1.00 0.00 C ATOM 1155 C TYR A 76 -0.777 5.870 1.489 1.00 0.00 C ATOM 1156 O TYR A 76 -0.630 6.223 2.660 1.00 0.00 O ATOM 1157 CB TYR A 76 1.235 4.685 0.591 1.00 0.00 C ATOM 1158 CG TYR A 76 1.996 4.372 -0.677 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.116 5.110 -1.038 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.593 3.339 -1.515 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.814 4.828 -2.197 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.286 3.049 -2.674 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.395 3.796 -3.011 1.00 0.00 C ATOM 1164 OH TYR A 76 4.087 3.511 -4.166 1.00 0.00 O ATOM 0 H TYR A 76 1.913 7.011 1.452 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.036 6.024 -0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.944 4.798 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.593 3.839 0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.447 5.918 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.723 2.753 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.682 5.412 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.961 2.241 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 76 4.605 4.297 -4.440 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.927 5.404 1.013 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.109 5.276 1.858 1.00 0.00 C ATOM 1176 C VAL A 77 -3.900 4.020 1.510 1.00 0.00 C ATOM 1177 O VAL A 77 -4.133 3.725 0.338 1.00 0.00 O ATOM 1178 CB VAL A 77 -4.030 6.503 1.724 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.325 6.286 2.493 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.318 7.758 2.208 1.00 0.00 C ATOM 0 H VAL A 77 -2.066 5.109 0.047 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.756 5.206 2.887 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.278 6.636 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.963 7.163 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.841 5.412 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.100 6.127 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.983 8.616 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.039 7.637 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.421 7.921 1.610 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.311 3.284 2.537 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.077 2.058 2.341 1.00 0.00 C ATOM 1192 C PHE A 78 -6.524 2.244 2.786 1.00 0.00 C ATOM 1193 O PHE A 78 -6.789 2.689 3.903 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.437 0.903 3.114 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.322 -0.305 3.227 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.625 -1.066 2.109 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.852 -0.681 4.451 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.440 -2.178 2.210 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.667 -1.792 4.559 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.961 -2.542 3.437 1.00 0.00 C ATOM 0 H PHE A 78 -4.127 3.515 3.513 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.071 1.821 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.507 0.618 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.175 1.247 4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.220 -0.787 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.625 -0.098 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.669 -2.762 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.073 -2.073 5.519 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.597 -3.411 3.519 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.457 1.900 1.904 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.878 2.027 2.206 1.00 0.00 C ATOM 1212 C ALA A 79 -9.641 0.774 1.790 1.00 0.00 C ATOM 1213 O ALA A 79 -9.692 0.411 0.615 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.456 3.253 1.517 1.00 0.00 C ATOM 0 H ALA A 79 -7.255 1.531 0.975 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.987 2.145 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.517 3.335 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.937 4.145 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.329 3.158 0.439 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.250 0.096 2.774 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.022 -1.126 2.534 1.00 0.00 C ATOM 1222 C PRO A 80 -12.322 -0.853 1.786 1.00 0.00 C ATOM 1223 O PRO A 80 -12.770 0.290 1.698 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.315 -1.644 3.944 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.265 -0.432 4.810 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.231 0.472 4.198 1.00 0.00 C ATOM 0 HA PRO A 80 -10.478 -1.835 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.291 -2.126 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.578 -2.384 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.237 0.059 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.997 -0.694 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.482 1.523 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.248 0.316 4.642 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.923 -1.909 1.249 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.173 -1.783 0.509 1.00 0.00 C ATOM 1236 C ASP A 81 -15.371 -2.051 1.416 1.00 0.00 C ATOM 1237 O ASP A 81 -16.487 -2.259 0.941 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.189 -2.749 -0.677 1.00 0.00 C ATOM 1239 CG ASP A 81 -15.075 -2.264 -1.807 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -15.255 -1.035 -1.934 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.590 -3.114 -2.564 1.00 0.00 O ATOM 0 H ASP A 81 -12.565 -2.862 1.312 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.244 -0.761 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.173 -2.882 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.536 -3.726 -0.341 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.129 -2.047 2.723 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.188 -2.288 3.695 1.00 0.00 C ATOM 1248 C ALA A 82 -16.375 -1.085 4.613 1.00 0.00 C ATOM 1249 O ALA A 82 -17.498 -0.746 4.987 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.879 -3.535 4.512 1.00 0.00 C ATOM 0 H ALA A 82 -14.210 -1.880 3.132 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.119 -2.444 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.678 -3.704 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.803 -4.396 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.935 -3.399 5.040 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.269 -0.444 4.973 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.311 0.720 5.850 1.00 0.00 C ATOM 1258 C TYR A 83 -14.639 1.922 5.194 1.00 0.00 C ATOM 1259 O TYR A 83 -13.984 1.793 4.161 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.630 0.406 7.183 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.889 -0.999 7.680 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.151 -2.074 7.200 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.873 -1.251 8.627 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.385 -3.359 7.650 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.113 -2.533 9.084 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.367 -3.583 8.592 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.604 -4.861 9.044 1.00 0.00 O ATOM 0 H TYR A 83 -14.332 -0.711 4.671 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.357 0.967 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.555 0.552 7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.975 1.117 7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.381 -1.902 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.461 -0.431 9.013 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.802 -4.183 7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.881 -2.711 9.822 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.327 -4.845 9.706 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.807 3.091 5.802 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.217 4.318 5.278 1.00 0.00 C ATOM 1279 C ASN A 84 -12.956 4.688 6.052 1.00 0.00 C ATOM 1280 O ASN A 84 -12.709 5.861 6.333 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.228 5.465 5.348 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.636 5.016 5.008 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -17.361 4.508 5.864 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -17.029 5.203 3.754 1.00 0.00 N ATOM 0 H ASN A 84 -15.347 3.215 6.658 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.945 4.146 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.218 5.894 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.925 6.255 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.966 4.922 3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.394 5.628 3.078 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.160 3.680 6.393 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.923 3.900 7.133 1.00 0.00 C ATOM 1293 C VAL A 85 -9.758 4.171 6.187 1.00 0.00 C ATOM 1294 O VAL A 85 -9.757 3.724 5.040 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.577 2.689 8.021 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.361 1.447 7.170 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.350 2.985 8.870 1.00 0.00 C ATOM 0 H VAL A 85 -12.349 2.703 6.169 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.084 4.772 7.767 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.416 2.499 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.118 0.602 7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.270 1.227 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.540 1.621 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.120 2.119 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.502 3.202 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.548 3.847 9.508 1.00 0.00 H new ATOM 1307 N THR A 86 -8.764 4.906 6.677 1.00 0.00 N ATOM 1308 CA THR A 86 -7.592 5.238 5.876 1.00 0.00 C ATOM 1309 C THR A 86 -6.312 5.105 6.693 1.00 0.00 C ATOM 1310 O THR A 86 -6.185 5.695 7.767 1.00 0.00 O ATOM 1311 CB THR A 86 -7.683 6.669 5.314 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.988 7.590 6.367 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.748 6.759 4.231 1.00 0.00 C ATOM 0 H THR A 86 -8.747 5.283 7.625 1.00 0.00 H new ATOM 0 HA THR A 86 -7.565 4.531 5.047 1.00 0.00 H new ATOM 0 HB THR A 86 -6.719 6.925 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.538 7.306 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.794 7.779 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.498 6.078 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.716 6.484 4.649 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.366 4.327 6.179 1.00 0.00 N ATOM 1322 CA LEU A 87 -4.094 4.118 6.861 1.00 0.00 C ATOM 1323 C LEU A 87 -2.972 4.885 6.169 1.00 0.00 C ATOM 1324 O LEU A 87 -2.472 4.487 5.116 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.756 2.626 6.904 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.644 1.763 7.801 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -6.027 1.605 7.189 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -4.004 0.402 8.034 1.00 0.00 C ATOM 0 H LEU A 87 -5.456 3.831 5.292 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.190 4.493 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.808 2.233 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.723 2.517 7.236 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.750 2.263 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.645 0.988 7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.488 2.586 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.941 1.128 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.650 -0.199 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.868 -0.104 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.035 0.533 8.516 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.564 6.011 6.773 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.494 6.856 6.234 1.00 0.00 C ATOM 1342 C PRO A 88 -0.125 6.191 6.331 1.00 0.00 C ATOM 1343 O PRO A 88 0.101 5.337 7.188 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.547 8.103 7.120 1.00 0.00 C ATOM 1345 CG PRO A 88 -2.146 7.633 8.400 1.00 0.00 C ATOM 1346 CD PRO A 88 -3.115 6.545 8.030 1.00 0.00 C ATOM 0 HA PRO A 88 -1.634 7.064 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.552 8.519 7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.152 8.887 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.377 7.258 9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.653 8.448 8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.172 5.778 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.124 6.935 7.893 1.00 0.00 H new ATOM 1354 N ALA A 89 0.785 6.590 5.449 1.00 0.00 N ATOM 1355 CA ALA A 89 2.132 6.034 5.438 1.00 0.00 C ATOM 1356 C ALA A 89 3.112 6.984 4.758 1.00 0.00 C ATOM 1357 O ALA A 89 2.712 7.866 3.997 1.00 0.00 O ATOM 1358 CB ALA A 89 2.139 4.680 4.743 1.00 0.00 C ATOM 0 H ALA A 89 0.614 7.296 4.733 1.00 0.00 H new ATOM 0 HA ALA A 89 2.452 5.901 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.152 4.277 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.476 3.996 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.794 4.797 3.716 1.00 0.00 H new ATOM 1364 N LYS A 90 4.398 6.800 5.037 1.00 0.00 N ATOM 1365 CA LYS A 90 5.437 7.640 4.452 1.00 0.00 C ATOM 1366 C LYS A 90 6.482 6.793 3.734 1.00 0.00 C ATOM 1367 O LYS A 90 6.959 5.792 4.270 1.00 0.00 O ATOM 1368 CB LYS A 90 6.108 8.486 5.536 1.00 0.00 C ATOM 1369 CG LYS A 90 5.408 9.810 5.795 1.00 0.00 C ATOM 1370 CD LYS A 90 4.171 9.627 6.659 1.00 0.00 C ATOM 1371 CE LYS A 90 3.591 10.965 7.090 1.00 0.00 C ATOM 1372 NZ LYS A 90 2.803 11.605 6.001 1.00 0.00 N ATOM 0 H LYS A 90 4.746 6.076 5.665 1.00 0.00 H new ATOM 0 HA LYS A 90 4.967 8.300 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.140 7.914 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.140 8.681 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.097 10.497 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.126 10.265 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.419 9.064 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.425 9.038 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.954 10.820 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.399 11.631 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.425 12.515 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.417 11.767 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.016 10.982 5.729 1.00 0.00 H new ATOM 1386 N VAL A 91 6.835 7.201 2.519 1.00 0.00 N ATOM 1387 CA VAL A 91 7.826 6.480 1.729 1.00 0.00 C ATOM 1388 C VAL A 91 8.887 7.428 1.181 1.00 0.00 C ATOM 1389 O VAL A 91 8.639 8.622 1.008 1.00 0.00 O ATOM 1390 CB VAL A 91 7.170 5.729 0.556 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.847 4.296 0.953 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.918 6.457 0.091 1.00 0.00 C ATOM 0 H VAL A 91 6.450 8.027 2.061 1.00 0.00 H new ATOM 0 HA VAL A 91 8.297 5.757 2.395 1.00 0.00 H new ATOM 0 HB VAL A 91 7.876 5.700 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.384 3.781 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.765 3.780 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.160 4.299 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.467 5.912 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.206 6.519 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.182 7.463 -0.236 1.00 0.00 H new ATOM 1402 N HIS A 92 10.071 6.889 0.909 1.00 0.00 N ATOM 1403 CA HIS A 92 11.171 7.687 0.378 1.00 0.00 C ATOM 1404 C HIS A 92 12.029 6.863 -0.577 1.00 0.00 C ATOM 1405 O HIS A 92 12.110 5.640 -0.457 1.00 0.00 O ATOM 1406 CB HIS A 92 12.033 8.227 1.520 1.00 0.00 C ATOM 1407 CG HIS A 92 12.827 9.441 1.147 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.276 10.701 1.052 1.00 0.00 N ATOM 1409 CD2 HIS A 92 14.140 9.583 0.847 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.214 11.565 0.708 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.355 10.912 0.578 1.00 0.00 N ATOM 0 H HIS A 92 10.294 5.903 1.047 1.00 0.00 H new ATOM 0 HA HIS A 92 10.746 8.525 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.390 8.469 2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.715 7.444 1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.880 8.797 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.072 12.625 0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.250 11.328 0.320 1.00 0.00 H new ATOM 1420 N VAL A 93 12.667 7.540 -1.526 1.00 0.00 N ATOM 1421 CA VAL A 93 13.519 6.871 -2.501 1.00 0.00 C ATOM 1422 C VAL A 93 14.890 7.535 -2.581 1.00 0.00 C ATOM 1423 O VAL A 93 14.993 8.757 -2.688 1.00 0.00 O ATOM 1424 CB VAL A 93 12.878 6.873 -3.902 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.487 8.286 -4.308 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.825 6.259 -4.922 1.00 0.00 C ATOM 0 H VAL A 93 12.610 8.552 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 93 13.636 5.841 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 93 11.973 6.266 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.036 8.268 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.770 8.685 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.375 8.919 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.356 6.269 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.749 6.837 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.050 5.231 -4.637 1.00 0.00 H new ATOM 1436 N ILE A 94 15.939 6.721 -2.528 1.00 0.00 N ATOM 1437 CA ILE A 94 17.303 7.229 -2.596 1.00 0.00 C ATOM 1438 C ILE A 94 17.653 7.679 -4.010 1.00 0.00 C ATOM 1439 O ILE A 94 17.350 6.990 -4.984 1.00 0.00 O ATOM 1440 CB ILE A 94 18.322 6.169 -2.139 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.853 5.502 -0.844 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.694 6.799 -1.950 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.876 6.426 0.353 1.00 0.00 C ATOM 0 H ILE A 94 15.870 5.707 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 94 17.355 8.085 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 94 18.398 5.404 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.839 5.127 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.486 4.639 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.403 6.037 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 94 20.029 7.230 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.634 7.582 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.531 5.887 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.893 6.781 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 94 17.220 7.277 0.168 1.00 0.00 H new ATOM 1455 N SER A 95 18.294 8.838 -4.115 1.00 0.00 N ATOM 1456 CA SER A 95 18.684 9.381 -5.411 1.00 0.00 C ATOM 1457 C SER A 95 19.906 10.284 -5.277 1.00 0.00 C ATOM 1458 O SER A 95 19.909 11.231 -4.491 1.00 0.00 O ATOM 1459 CB SER A 95 17.524 10.163 -6.030 1.00 0.00 C ATOM 1460 OG SER A 95 17.271 11.357 -5.309 1.00 0.00 O ATOM 0 H SER A 95 18.554 9.419 -3.318 1.00 0.00 H new ATOM 0 HA SER A 95 18.940 8.547 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.756 10.403 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.627 9.543 -6.039 1.00 0.00 H new ATOM 0 HG SER A 95 18.098 11.661 -4.879 1.00 0.00 H new ATOM 1466 N GLY A 96 20.945 9.983 -6.050 1.00 0.00 N ATOM 1467 CA GLY A 96 22.160 10.776 -6.003 1.00 0.00 C ATOM 1468 C GLY A 96 22.966 10.678 -7.282 1.00 0.00 C ATOM 1469 O GLY A 96 22.714 9.828 -8.137 1.00 0.00 O ATOM 0 H GLY A 96 20.967 9.204 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.902 11.819 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.773 10.446 -5.165 1.00 0.00 H new ATOM 1473 N PRO A 97 23.962 11.564 -7.428 1.00 0.00 N ATOM 1474 CA PRO A 97 24.828 11.595 -8.611 1.00 0.00 C ATOM 1475 C PRO A 97 25.760 10.390 -8.678 1.00 0.00 C ATOM 1476 O PRO A 97 26.566 10.166 -7.776 1.00 0.00 O ATOM 1477 CB PRO A 97 25.633 12.884 -8.428 1.00 0.00 C ATOM 1478 CG PRO A 97 25.637 13.122 -6.957 1.00 0.00 C ATOM 1479 CD PRO A 97 24.320 12.605 -6.450 1.00 0.00 C ATOM 0 HA PRO A 97 24.254 11.563 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 97 26.646 12.776 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 97 25.175 13.716 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 97 26.469 12.604 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.752 14.183 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.409 12.197 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 97 23.568 13.393 -6.409 1.00 0.00 H new ATOM 1487 N SER A 98 25.643 9.617 -9.754 1.00 0.00 N ATOM 1488 CA SER A 98 26.473 8.433 -9.937 1.00 0.00 C ATOM 1489 C SER A 98 26.811 8.229 -11.411 1.00 0.00 C ATOM 1490 O SER A 98 25.930 8.255 -12.271 1.00 0.00 O ATOM 1491 CB SER A 98 25.761 7.195 -9.390 1.00 0.00 C ATOM 1492 OG SER A 98 25.844 7.141 -7.976 1.00 0.00 O ATOM 0 H SER A 98 24.982 9.790 -10.511 1.00 0.00 H new ATOM 0 HA SER A 98 27.402 8.582 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 98 24.715 7.209 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 98 26.206 6.297 -9.818 1.00 0.00 H new ATOM 0 HG SER A 98 26.200 7.989 -7.637 1.00 0.00 H new ATOM 1498 N SER A 99 28.094 8.026 -11.695 1.00 0.00 N ATOM 1499 CA SER A 99 28.550 7.822 -13.065 1.00 0.00 C ATOM 1500 C SER A 99 28.402 6.360 -13.474 1.00 0.00 C ATOM 1501 O SER A 99 28.893 5.460 -12.794 1.00 0.00 O ATOM 1502 CB SER A 99 30.009 8.259 -13.209 1.00 0.00 C ATOM 1503 OG SER A 99 30.104 9.655 -13.429 1.00 0.00 O ATOM 0 H SER A 99 28.835 7.998 -10.995 1.00 0.00 H new ATOM 0 HA SER A 99 27.930 8.430 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 99 30.563 7.991 -12.309 1.00 0.00 H new ATOM 0 HB3 SER A 99 30.472 7.725 -14.039 1.00 0.00 H new ATOM 0 HG SER A 99 31.046 9.909 -13.516 1.00 0.00 H new ATOM 1509 N GLY A 100 27.721 6.131 -14.593 1.00 0.00 N ATOM 1510 CA GLY A 100 27.520 4.777 -15.075 1.00 0.00 C ATOM 1511 C GLY A 100 26.136 4.248 -14.757 1.00 0.00 C ATOM 1512 O GLY A 100 25.976 3.079 -14.407 1.00 0.00 O ATOM 0 H GLY A 100 27.305 6.859 -15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 100 27.676 4.752 -16.153 1.00 0.00 H new ATOM 0 HA3 GLY A 100 28.268 4.121 -14.629 1.00 0.00 H new TER 1516 GLY A 100