USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= -0.0123 USER MOD Set 2.1: A 8 GLN : amide:sc= -5.75! C(o=-5.9!,f=-13!) USER MOD Set 2.2: A 74 CYS SG : rot 145:sc= -0.176 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 55:sc= 0.438 USER MOD Single : A 6 SER OG : rot 4:sc= 0.425 USER MOD Single : A 7 ASN : amide:sc= -0.961 K(o=-0.96,f=-1.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.954 USER MOD Single : A 39 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.35) USER MOD Single : A 40 HIS : no HD1:sc= -6.85! C(o=-6.9!,f=-9.6!) USER MOD Single : A 42 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -1.21 (180deg=-1.73) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= -0.916 (180deg=-2.47!) USER MOD Single : A 63 ASN : amide:sc=-0.00939 X(o=-0.0094,f=-0.45) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.38) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.563 F(o=-1.7,f=-0.56) USER MOD Single : A 79 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 80 MET CE :methyl -166:sc= -2.01 (180deg=-2.23) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -107:sc= 0.637 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 36:sc= 0.0122 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 6.276 16.817 -23.097 1.00 0.00 N ATOM 2 CA GLY A -6 6.725 15.812 -22.151 1.00 0.00 C ATOM 3 C GLY A -6 6.472 16.216 -20.712 1.00 0.00 C ATOM 4 O GLY A -6 5.364 16.053 -20.201 1.00 0.00 O ATOM 0 H1 GLY A -6 6.471 16.494 -24.066 1.00 0.00 H new ATOM 0 H2 GLY A -6 5.254 16.970 -22.982 1.00 0.00 H new ATOM 0 H3 GLY A -6 6.781 17.709 -22.922 1.00 0.00 H new ATOM 0 HA2 GLY A -6 6.215 14.871 -22.356 1.00 0.00 H new ATOM 0 HA3 GLY A -6 7.791 15.634 -22.293 1.00 0.00 H new ATOM 8 N SER A -5 7.501 16.742 -20.056 1.00 0.00 N ATOM 9 CA SER A -5 7.387 17.165 -18.666 1.00 0.00 C ATOM 10 C SER A -5 6.039 17.833 -18.411 1.00 0.00 C ATOM 11 O SER A -5 5.473 18.472 -19.297 1.00 0.00 O ATOM 12 CB SER A -5 8.521 18.125 -18.307 1.00 0.00 C ATOM 13 OG SER A -5 8.644 18.268 -16.902 1.00 0.00 O ATOM 0 H SER A -5 8.424 16.885 -20.466 1.00 0.00 H new ATOM 0 HA SER A -5 7.459 16.279 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A -5 9.459 17.756 -18.721 1.00 0.00 H new ATOM 0 HB3 SER A -5 8.334 19.099 -18.760 1.00 0.00 H new ATOM 0 HG SER A -5 9.377 18.886 -16.699 1.00 0.00 H new ATOM 19 N SER A -4 5.530 17.679 -17.192 1.00 0.00 N ATOM 20 CA SER A -4 4.248 18.264 -16.820 1.00 0.00 C ATOM 21 C SER A -4 4.170 18.488 -15.313 1.00 0.00 C ATOM 22 O SER A -4 4.476 17.595 -14.524 1.00 0.00 O ATOM 23 CB SER A -4 3.100 17.359 -17.272 1.00 0.00 C ATOM 24 OG SER A -4 1.863 17.796 -16.735 1.00 0.00 O ATOM 0 H SER A -4 5.986 17.154 -16.446 1.00 0.00 H new ATOM 0 HA SER A -4 4.159 19.229 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A -4 3.045 17.352 -18.361 1.00 0.00 H new ATOM 0 HB3 SER A -4 3.295 16.334 -16.956 1.00 0.00 H new ATOM 0 HG SER A -4 1.146 17.202 -17.040 1.00 0.00 H new ATOM 30 N GLY A -3 3.756 19.690 -14.920 1.00 0.00 N ATOM 31 CA GLY A -3 3.644 20.011 -13.509 1.00 0.00 C ATOM 32 C GLY A -3 3.032 21.376 -13.272 1.00 0.00 C ATOM 33 O GLY A -3 3.382 22.347 -13.945 1.00 0.00 O ATOM 0 H GLY A -3 3.497 20.446 -15.554 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.037 19.253 -13.014 1.00 0.00 H new ATOM 0 HA3 GLY A -3 4.633 19.975 -13.052 1.00 0.00 H new ATOM 37 N SER A -2 2.113 21.453 -12.314 1.00 0.00 N ATOM 38 CA SER A -2 1.446 22.710 -11.995 1.00 0.00 C ATOM 39 C SER A -2 0.962 22.715 -10.547 1.00 0.00 C ATOM 40 O SER A -2 0.331 21.762 -10.090 1.00 0.00 O ATOM 41 CB SER A -2 0.266 22.940 -12.940 1.00 0.00 C ATOM 42 OG SER A -2 -0.185 24.283 -12.876 1.00 0.00 O ATOM 0 H SER A -2 1.814 20.660 -11.746 1.00 0.00 H new ATOM 0 HA SER A -2 2.166 23.518 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A -2 0.562 22.701 -13.961 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.550 22.266 -12.679 1.00 0.00 H new ATOM 0 HG SER A -2 -0.939 24.405 -13.491 1.00 0.00 H new ATOM 48 N SER A -1 1.263 23.794 -9.833 1.00 0.00 N ATOM 49 CA SER A -1 0.863 23.923 -8.437 1.00 0.00 C ATOM 50 C SER A -1 -0.657 23.888 -8.303 1.00 0.00 C ATOM 51 O SER A -1 -1.374 24.538 -9.062 1.00 0.00 O ATOM 52 CB SER A -1 1.409 25.224 -7.846 1.00 0.00 C ATOM 53 OG SER A -1 2.736 25.054 -7.378 1.00 0.00 O ATOM 0 H SER A -1 1.783 24.592 -10.198 1.00 0.00 H new ATOM 0 HA SER A -1 1.279 23.080 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A -1 1.384 26.009 -8.602 1.00 0.00 H new ATOM 0 HB3 SER A -1 0.770 25.551 -7.026 1.00 0.00 H new ATOM 0 HG SER A -1 3.063 25.900 -7.007 1.00 0.00 H new ATOM 59 N GLY A 0 -1.141 23.124 -7.327 1.00 0.00 N ATOM 60 CA GLY A 0 -2.572 23.018 -7.109 1.00 0.00 C ATOM 61 C GLY A 0 -2.971 21.677 -6.525 1.00 0.00 C ATOM 62 O GLY A 0 -2.206 21.065 -5.781 1.00 0.00 O ATOM 0 H GLY A 0 -0.568 22.577 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -2.894 23.814 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -3.093 23.169 -8.055 1.00 0.00 H new ATOM 66 N MET A 1 -4.174 21.222 -6.861 1.00 0.00 N ATOM 67 CA MET A 1 -4.673 19.945 -6.363 1.00 0.00 C ATOM 68 C MET A 1 -5.707 19.356 -7.317 1.00 0.00 C ATOM 69 O MET A 1 -6.633 20.045 -7.747 1.00 0.00 O ATOM 70 CB MET A 1 -5.287 20.121 -4.973 1.00 0.00 C ATOM 71 CG MET A 1 -6.532 20.993 -4.963 1.00 0.00 C ATOM 72 SD MET A 1 -7.278 21.122 -3.327 1.00 0.00 S ATOM 73 CE MET A 1 -8.864 20.339 -3.617 1.00 0.00 C ATOM 0 H MET A 1 -4.820 21.718 -7.475 1.00 0.00 H new ATOM 0 HA MET A 1 -3.832 19.255 -6.297 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.537 19.140 -4.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.542 20.559 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.275 21.990 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.263 20.583 -5.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.445 20.341 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.405 20.888 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.708 19.311 -3.945 1.00 0.00 H new ATOM 83 N LYS A 2 -5.543 18.079 -7.644 1.00 0.00 N ATOM 84 CA LYS A 2 -6.463 17.396 -8.547 1.00 0.00 C ATOM 85 C LYS A 2 -6.687 15.953 -8.106 1.00 0.00 C ATOM 86 O LYS A 2 -5.735 15.207 -7.878 1.00 0.00 O ATOM 87 CB LYS A 2 -5.921 17.425 -9.978 1.00 0.00 C ATOM 88 CG LYS A 2 -5.892 18.815 -10.589 1.00 0.00 C ATOM 89 CD LYS A 2 -5.013 18.862 -11.828 1.00 0.00 C ATOM 90 CE LYS A 2 -5.116 20.205 -12.534 1.00 0.00 C ATOM 91 NZ LYS A 2 -3.872 20.535 -13.283 1.00 0.00 N ATOM 0 H LYS A 2 -4.782 17.495 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.419 17.919 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.912 17.014 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.534 16.775 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.906 19.120 -10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.523 19.529 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.976 18.676 -11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.305 18.066 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.961 20.189 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.316 20.986 -11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.982 21.458 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.069 20.575 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.694 19.803 -14.000 1.00 0.00 H new ATOM 105 N THR A 3 -7.953 15.565 -7.990 1.00 0.00 N ATOM 106 CA THR A 3 -8.303 14.211 -7.577 1.00 0.00 C ATOM 107 C THR A 3 -7.911 13.194 -8.642 1.00 0.00 C ATOM 108 O THR A 3 -8.750 12.749 -9.427 1.00 0.00 O ATOM 109 CB THR A 3 -9.810 14.083 -7.289 1.00 0.00 C ATOM 110 OG1 THR A 3 -10.565 14.548 -8.413 1.00 0.00 O ATOM 111 CG2 THR A 3 -10.195 14.877 -6.050 1.00 0.00 C ATOM 0 H THR A 3 -8.753 16.169 -8.176 1.00 0.00 H new ATOM 0 HA THR A 3 -7.748 14.006 -6.661 1.00 0.00 H new ATOM 0 HB THR A 3 -10.034 13.031 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.284 14.066 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.264 14.771 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.641 14.501 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.956 15.929 -6.203 1.00 0.00 H new ATOM 119 N ILE A 4 -6.634 12.828 -8.664 1.00 0.00 N ATOM 120 CA ILE A 4 -6.133 11.861 -9.632 1.00 0.00 C ATOM 121 C ILE A 4 -6.483 10.436 -9.218 1.00 0.00 C ATOM 122 O ILE A 4 -5.769 9.814 -8.430 1.00 0.00 O ATOM 123 CB ILE A 4 -4.606 11.974 -9.803 1.00 0.00 C ATOM 124 CG1 ILE A 4 -4.226 13.382 -10.265 1.00 0.00 C ATOM 125 CG2 ILE A 4 -4.106 10.932 -10.793 1.00 0.00 C ATOM 126 CD1 ILE A 4 -4.842 13.770 -11.592 1.00 0.00 C ATOM 0 H ILE A 4 -5.927 13.187 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.615 12.089 -10.583 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.132 11.788 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.536 14.101 -9.506 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.141 13.449 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.026 11.024 -10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.350 9.935 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.584 11.090 -11.760 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.529 14.780 -11.857 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.512 13.074 -12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.929 13.736 -11.513 1.00 0.00 H new ATOM 138 N LEU A 5 -7.585 9.923 -9.753 1.00 0.00 N ATOM 139 CA LEU A 5 -8.030 8.570 -9.440 1.00 0.00 C ATOM 140 C LEU A 5 -7.001 7.540 -9.896 1.00 0.00 C ATOM 141 O LEU A 5 -6.850 7.285 -11.091 1.00 0.00 O ATOM 142 CB LEU A 5 -9.379 8.288 -10.105 1.00 0.00 C ATOM 143 CG LEU A 5 -10.619 8.640 -9.282 1.00 0.00 C ATOM 144 CD1 LEU A 5 -11.855 8.673 -10.167 1.00 0.00 C ATOM 145 CD2 LEU A 5 -10.802 7.648 -8.143 1.00 0.00 C ATOM 0 H LEU A 5 -8.187 10.424 -10.406 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.142 8.492 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.421 8.841 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.423 7.228 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.478 9.632 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.727 8.925 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.724 9.423 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.001 7.695 -10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.689 7.914 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.921 6.644 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.927 7.674 -7.493 1.00 0.00 H new ATOM 157 N SER A 6 -6.298 6.948 -8.936 1.00 0.00 N ATOM 158 CA SER A 6 -5.282 5.946 -9.238 1.00 0.00 C ATOM 159 C SER A 6 -5.073 5.010 -8.053 1.00 0.00 C ATOM 160 O SER A 6 -4.462 5.384 -7.052 1.00 0.00 O ATOM 161 CB SER A 6 -3.961 6.625 -9.606 1.00 0.00 C ATOM 162 OG SER A 6 -4.076 7.338 -10.825 1.00 0.00 O ATOM 0 H SER A 6 -6.413 7.145 -7.942 1.00 0.00 H new ATOM 0 HA SER A 6 -5.629 5.356 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.665 7.307 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.175 5.875 -9.693 1.00 0.00 H new ATOM 0 HG SER A 6 -5.000 7.288 -11.147 1.00 0.00 H new ATOM 168 N ASN A 7 -5.587 3.790 -8.173 1.00 0.00 N ATOM 169 CA ASN A 7 -5.458 2.799 -7.111 1.00 0.00 C ATOM 170 C ASN A 7 -4.411 1.748 -7.472 1.00 0.00 C ATOM 171 O ASN A 7 -4.075 1.569 -8.643 1.00 0.00 O ATOM 172 CB ASN A 7 -6.804 2.122 -6.849 1.00 0.00 C ATOM 173 CG ASN A 7 -7.549 1.800 -8.131 1.00 0.00 C ATOM 174 OD1 ASN A 7 -8.462 2.523 -8.530 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.160 0.711 -8.782 1.00 0.00 N ATOM 0 H ASN A 7 -6.096 3.464 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.135 3.314 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.642 1.203 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.420 2.772 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.623 0.444 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.398 0.141 -8.414 1.00 0.00 H new ATOM 182 N GLN A 8 -3.900 1.057 -6.459 1.00 0.00 N ATOM 183 CA GLN A 8 -2.892 0.025 -6.669 1.00 0.00 C ATOM 184 C GLN A 8 -3.483 -1.365 -6.460 1.00 0.00 C ATOM 185 O GLN A 8 -4.390 -1.550 -5.648 1.00 0.00 O ATOM 186 CB GLN A 8 -1.709 0.237 -5.722 1.00 0.00 C ATOM 187 CG GLN A 8 -0.560 -0.731 -5.957 1.00 0.00 C ATOM 188 CD GLN A 8 0.219 -1.031 -4.692 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.443 -0.907 -4.658 1.00 0.00 O ATOM 190 NE2 GLN A 8 -0.490 -1.429 -3.641 1.00 0.00 N ATOM 0 H GLN A 8 -4.167 1.193 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.542 0.099 -7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.342 1.257 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.055 0.134 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.952 -1.662 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.115 -0.313 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.504 -1.518 -3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.021 -1.645 -2.762 1.00 0.00 H new ATOM 199 N THR A 9 -2.964 -2.341 -7.199 1.00 0.00 N ATOM 200 CA THR A 9 -3.442 -3.715 -7.096 1.00 0.00 C ATOM 201 C THR A 9 -2.328 -4.651 -6.641 1.00 0.00 C ATOM 202 O THR A 9 -1.197 -4.565 -7.120 1.00 0.00 O ATOM 203 CB THR A 9 -4.004 -4.216 -8.439 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.135 -3.828 -9.509 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.398 -3.660 -8.684 1.00 0.00 C ATOM 0 H THR A 9 -2.213 -2.206 -7.875 1.00 0.00 H new ATOM 0 HA THR A 9 -4.240 -3.718 -6.354 1.00 0.00 H new ATOM 0 HB THR A 9 -4.066 -5.303 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.499 -4.152 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.774 -4.028 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.064 -3.982 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.357 -2.571 -8.706 1.00 0.00 H new ATOM 213 N VAL A 10 -2.656 -5.546 -5.715 1.00 0.00 N ATOM 214 CA VAL A 10 -1.683 -6.501 -5.197 1.00 0.00 C ATOM 215 C VAL A 10 -2.035 -7.925 -5.615 1.00 0.00 C ATOM 216 O VAL A 10 -3.208 -8.296 -5.665 1.00 0.00 O ATOM 217 CB VAL A 10 -1.596 -6.436 -3.661 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.343 -7.145 -3.167 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.621 -4.989 -3.188 1.00 0.00 C ATOM 0 H VAL A 10 -3.588 -5.630 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.716 -6.229 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.463 -6.947 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.298 -7.089 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.371 -8.190 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.538 -6.664 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.559 -4.961 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.773 -4.452 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.549 -4.517 -3.511 1.00 0.00 H new ATOM 229 N ASP A 11 -1.012 -8.718 -5.912 1.00 0.00 N ATOM 230 CA ASP A 11 -1.212 -10.103 -6.324 1.00 0.00 C ATOM 231 C ASP A 11 -0.735 -11.065 -5.241 1.00 0.00 C ATOM 232 O ASP A 11 0.256 -10.805 -4.557 1.00 0.00 O ATOM 233 CB ASP A 11 -0.471 -10.380 -7.632 1.00 0.00 C ATOM 234 CG ASP A 11 -0.181 -11.854 -7.832 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.123 -12.666 -7.710 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.986 -12.198 -8.111 1.00 0.00 O ATOM 0 H ASP A 11 -0.035 -8.426 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.279 -10.260 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.066 -10.013 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.466 -9.824 -7.640 1.00 0.00 H new ATOM 241 N ILE A 12 -1.447 -12.177 -5.090 1.00 0.00 N ATOM 242 CA ILE A 12 -1.097 -13.179 -4.090 1.00 0.00 C ATOM 243 C ILE A 12 -1.124 -14.582 -4.686 1.00 0.00 C ATOM 244 O ILE A 12 -2.013 -14.939 -5.457 1.00 0.00 O ATOM 245 CB ILE A 12 -2.052 -13.128 -2.883 1.00 0.00 C ATOM 246 CG1 ILE A 12 -1.996 -11.750 -2.219 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.700 -14.218 -1.883 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.081 -11.532 -1.188 1.00 0.00 C ATOM 0 H ILE A 12 -2.270 -12.407 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.086 -12.949 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.069 -13.300 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.023 -11.624 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.077 -10.982 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.384 -14.169 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.786 -15.193 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.678 -14.074 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.980 -10.535 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.058 -11.626 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.988 -12.278 -0.399 1.00 0.00 H new ATOM 260 N PRO A 13 -0.125 -15.399 -4.318 1.00 0.00 N ATOM 261 CA PRO A 13 -0.012 -16.779 -4.802 1.00 0.00 C ATOM 262 C PRO A 13 -1.096 -17.685 -4.229 1.00 0.00 C ATOM 263 O PRO A 13 -2.084 -17.208 -3.671 1.00 0.00 O ATOM 264 CB PRO A 13 1.369 -17.217 -4.307 1.00 0.00 C ATOM 265 CG PRO A 13 1.633 -16.360 -3.117 1.00 0.00 C ATOM 266 CD PRO A 13 0.970 -15.040 -3.401 1.00 0.00 C ATOM 0 HA PRO A 13 -0.132 -16.843 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.378 -18.275 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.129 -17.073 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.228 -16.813 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.704 -16.233 -2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.595 -14.574 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.662 -14.333 -3.859 1.00 0.00 H new ATOM 274 N GLU A 14 -0.904 -18.992 -4.370 1.00 0.00 N ATOM 275 CA GLU A 14 -1.867 -19.964 -3.866 1.00 0.00 C ATOM 276 C GLU A 14 -1.341 -20.649 -2.608 1.00 0.00 C ATOM 277 O GLU A 14 -2.107 -21.214 -1.829 1.00 0.00 O ATOM 278 CB GLU A 14 -2.177 -21.011 -4.938 1.00 0.00 C ATOM 279 CG GLU A 14 -0.998 -21.910 -5.271 1.00 0.00 C ATOM 280 CD GLU A 14 -1.223 -22.726 -6.530 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.108 -22.156 -7.635 1.00 0.00 O ATOM 282 OE2 GLU A 14 -1.514 -23.935 -6.408 1.00 0.00 O ATOM 0 H GLU A 14 -0.091 -19.403 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.784 -19.431 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.010 -21.628 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.504 -20.503 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.104 -21.299 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.812 -22.584 -4.434 1.00 0.00 H new ATOM 289 N ASN A 15 -0.026 -20.596 -2.418 1.00 0.00 N ATOM 290 CA ASN A 15 0.603 -21.211 -1.256 1.00 0.00 C ATOM 291 C ASN A 15 0.535 -20.285 -0.045 1.00 0.00 C ATOM 292 O ASN A 15 1.154 -20.548 0.986 1.00 0.00 O ATOM 293 CB ASN A 15 2.061 -21.561 -1.564 1.00 0.00 C ATOM 294 CG ASN A 15 2.675 -22.463 -0.513 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.987 -23.286 0.093 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.975 -22.313 -0.289 1.00 0.00 N ATOM 0 H ASN A 15 0.624 -20.133 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 15 0.058 -22.126 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.116 -22.051 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.644 -20.643 -1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.443 -22.892 0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.506 -21.619 -0.814 1.00 0.00 H new ATOM 303 N VAL A 16 -0.220 -19.200 -0.179 1.00 0.00 N ATOM 304 CA VAL A 16 -0.371 -18.235 0.902 1.00 0.00 C ATOM 305 C VAL A 16 -1.830 -17.832 1.082 1.00 0.00 C ATOM 306 O VAL A 16 -2.547 -17.610 0.105 1.00 0.00 O ATOM 307 CB VAL A 16 0.471 -16.971 0.649 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.382 -16.022 1.834 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.919 -17.344 0.362 1.00 0.00 C ATOM 0 H VAL A 16 -0.737 -18.967 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.018 -18.723 1.811 1.00 0.00 H new ATOM 0 HB VAL A 16 0.070 -16.459 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.984 -15.135 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.656 -15.729 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.755 -16.521 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.500 -16.439 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.333 -17.880 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.962 -17.981 -0.522 1.00 0.00 H new ATOM 319 N ASP A 17 -2.263 -17.739 2.334 1.00 0.00 N ATOM 320 CA ASP A 17 -3.638 -17.361 2.641 1.00 0.00 C ATOM 321 C ASP A 17 -3.685 -16.011 3.349 1.00 0.00 C ATOM 322 O ASP A 17 -3.026 -15.812 4.371 1.00 0.00 O ATOM 323 CB ASP A 17 -4.301 -18.431 3.510 1.00 0.00 C ATOM 324 CG ASP A 17 -4.932 -19.536 2.687 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.313 -19.958 1.687 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.043 -19.980 3.042 1.00 0.00 O ATOM 0 H ASP A 17 -1.682 -17.920 3.153 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.185 -17.277 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.558 -18.861 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.064 -17.966 4.135 1.00 0.00 H new ATOM 331 N ILE A 18 -4.467 -15.087 2.801 1.00 0.00 N ATOM 332 CA ILE A 18 -4.599 -13.756 3.381 1.00 0.00 C ATOM 333 C ILE A 18 -6.052 -13.450 3.730 1.00 0.00 C ATOM 334 O ILE A 18 -6.948 -13.603 2.898 1.00 0.00 O ATOM 335 CB ILE A 18 -4.073 -12.670 2.425 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.585 -12.889 2.139 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.307 -11.288 3.013 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.308 -14.102 1.279 1.00 0.00 C ATOM 0 H ILE A 18 -5.019 -15.236 1.956 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.999 -13.748 4.291 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.619 -12.740 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.184 -12.004 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.053 -12.995 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.930 -10.531 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.375 -11.135 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.785 -11.205 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.234 -14.196 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.679 -14.996 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.811 -13.990 0.319 1.00 0.00 H new ATOM 350 N THR A 19 -6.279 -13.015 4.965 1.00 0.00 N ATOM 351 CA THR A 19 -7.623 -12.687 5.425 1.00 0.00 C ATOM 352 C THR A 19 -7.789 -11.183 5.611 1.00 0.00 C ATOM 353 O THR A 19 -7.024 -10.550 6.341 1.00 0.00 O ATOM 354 CB THR A 19 -7.952 -13.397 6.751 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.696 -14.801 6.632 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.406 -13.172 7.138 1.00 0.00 C ATOM 0 H THR A 19 -5.549 -12.881 5.665 1.00 0.00 H new ATOM 0 HA THR A 19 -8.313 -13.033 4.656 1.00 0.00 H new ATOM 0 HB THR A 19 -7.316 -12.978 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.906 -15.245 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.616 -13.683 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.590 -12.104 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.056 -13.568 6.357 1.00 0.00 H new ATOM 364 N LEU A 20 -8.789 -10.615 4.947 1.00 0.00 N ATOM 365 CA LEU A 20 -9.055 -9.184 5.041 1.00 0.00 C ATOM 366 C LEU A 20 -10.217 -8.907 5.990 1.00 0.00 C ATOM 367 O LEU A 20 -11.322 -9.414 5.801 1.00 0.00 O ATOM 368 CB LEU A 20 -9.365 -8.611 3.657 1.00 0.00 C ATOM 369 CG LEU A 20 -8.288 -8.813 2.591 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.787 -8.345 1.232 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.014 -8.076 2.974 1.00 0.00 C ATOM 0 H LEU A 20 -9.429 -11.124 4.337 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.163 -8.699 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.291 -9.060 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.549 -7.542 3.761 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.064 -9.878 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.007 -8.497 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.672 -8.917 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.040 -7.286 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.258 -8.231 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.224 -7.010 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.645 -8.458 3.926 1.00 0.00 H new ATOM 383 N LYS A 21 -9.958 -8.097 7.011 1.00 0.00 N ATOM 384 CA LYS A 21 -10.982 -7.749 7.990 1.00 0.00 C ATOM 385 C LYS A 21 -11.022 -6.241 8.222 1.00 0.00 C ATOM 386 O LYS A 21 -10.191 -5.692 8.943 1.00 0.00 O ATOM 387 CB LYS A 21 -10.720 -8.472 9.313 1.00 0.00 C ATOM 388 CG LYS A 21 -11.325 -9.863 9.376 1.00 0.00 C ATOM 389 CD LYS A 21 -10.688 -10.699 10.473 1.00 0.00 C ATOM 390 CE LYS A 21 -11.651 -11.754 11.000 1.00 0.00 C ATOM 391 NZ LYS A 21 -11.048 -12.551 12.104 1.00 0.00 N ATOM 0 H LYS A 21 -9.048 -7.669 7.182 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.948 -8.065 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.644 -8.546 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.121 -7.873 10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.398 -9.786 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.195 -10.361 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.791 -11.184 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.374 -10.050 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.561 -11.270 11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.941 -12.420 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.734 -13.259 12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.194 -13.033 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.795 -11.919 12.890 1.00 0.00 H new ATOM 405 N GLY A 22 -11.997 -5.578 7.606 1.00 0.00 N ATOM 406 CA GLY A 22 -12.128 -4.141 7.760 1.00 0.00 C ATOM 407 C GLY A 22 -10.924 -3.389 7.226 1.00 0.00 C ATOM 408 O GLY A 22 -10.784 -3.207 6.017 1.00 0.00 O ATOM 0 H GLY A 22 -12.698 -6.010 7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.024 -3.803 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.263 -3.902 8.815 1.00 0.00 H new ATOM 412 N ARG A 23 -10.055 -2.949 8.130 1.00 0.00 N ATOM 413 CA ARG A 23 -8.860 -2.210 7.743 1.00 0.00 C ATOM 414 C ARG A 23 -7.598 -2.945 8.190 1.00 0.00 C ATOM 415 O ARG A 23 -6.523 -2.351 8.291 1.00 0.00 O ATOM 416 CB ARG A 23 -8.885 -0.805 8.347 1.00 0.00 C ATOM 417 CG ARG A 23 -10.088 0.019 7.921 1.00 0.00 C ATOM 418 CD ARG A 23 -9.763 1.504 7.890 1.00 0.00 C ATOM 419 NE ARG A 23 -10.938 2.327 8.172 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.449 2.485 9.387 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.893 1.881 10.428 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.518 3.251 9.563 1.00 0.00 N ATOM 0 H ARG A 23 -10.156 -3.091 9.135 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.849 -2.130 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.877 -0.886 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.975 -0.279 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.420 -0.303 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.915 -0.159 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.985 1.720 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.362 1.767 6.911 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.390 2.806 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.070 1.293 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.288 2.005 11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.947 3.719 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.910 3.372 10.497 1.00 0.00 H new ATOM 436 N THR A 24 -7.737 -4.239 8.457 1.00 0.00 N ATOM 437 CA THR A 24 -6.610 -5.054 8.895 1.00 0.00 C ATOM 438 C THR A 24 -6.282 -6.134 7.871 1.00 0.00 C ATOM 439 O THR A 24 -7.161 -6.881 7.438 1.00 0.00 O ATOM 440 CB THR A 24 -6.894 -5.721 10.255 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.191 -4.723 11.238 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.702 -6.549 10.711 1.00 0.00 C ATOM 0 H THR A 24 -8.619 -4.746 8.378 1.00 0.00 H new ATOM 0 HA THR A 24 -5.757 -4.384 8.998 1.00 0.00 H new ATOM 0 HB THR A 24 -7.753 -6.382 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.382 -4.205 11.433 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.926 -7.010 11.673 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.496 -7.326 9.975 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.829 -5.905 10.812 1.00 0.00 H new ATOM 450 N VAL A 25 -5.013 -6.212 7.486 1.00 0.00 N ATOM 451 CA VAL A 25 -4.568 -7.203 6.513 1.00 0.00 C ATOM 452 C VAL A 25 -3.800 -8.332 7.190 1.00 0.00 C ATOM 453 O VAL A 25 -2.733 -8.114 7.765 1.00 0.00 O ATOM 454 CB VAL A 25 -3.676 -6.567 5.431 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.148 -7.630 4.480 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.442 -5.494 4.673 1.00 0.00 C ATOM 0 H VAL A 25 -4.274 -5.601 7.833 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.464 -7.608 6.042 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.823 -6.096 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.520 -7.161 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.560 -8.358 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.985 -8.134 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.797 -5.055 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.315 -5.939 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.764 -4.718 5.367 1.00 0.00 H new ATOM 466 N ILE A 26 -4.349 -9.540 7.117 1.00 0.00 N ATOM 467 CA ILE A 26 -3.715 -10.705 7.723 1.00 0.00 C ATOM 468 C ILE A 26 -3.113 -11.618 6.660 1.00 0.00 C ATOM 469 O ILE A 26 -3.771 -11.963 5.678 1.00 0.00 O ATOM 470 CB ILE A 26 -4.713 -11.514 8.571 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.358 -10.617 9.630 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.017 -12.698 9.224 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.648 -11.175 10.190 1.00 0.00 C ATOM 0 H ILE A 26 -5.231 -9.738 6.644 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.922 -10.330 8.370 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.497 -11.896 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.652 -10.467 10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.554 -9.637 9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.736 -13.260 9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.600 -13.346 8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.215 -12.338 9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.049 -10.487 10.935 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.371 -11.299 9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.455 -12.141 10.656 1.00 0.00 H new ATOM 485 N VAL A 27 -1.857 -12.006 6.861 1.00 0.00 N ATOM 486 CA VAL A 27 -1.168 -12.882 5.922 1.00 0.00 C ATOM 487 C VAL A 27 -0.711 -14.166 6.603 1.00 0.00 C ATOM 488 O VAL A 27 -0.127 -14.135 7.686 1.00 0.00 O ATOM 489 CB VAL A 27 0.054 -12.183 5.296 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.765 -13.115 4.328 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.368 -10.898 4.600 1.00 0.00 C ATOM 0 H VAL A 27 -1.297 -11.727 7.666 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.881 -13.126 5.135 1.00 0.00 H new ATOM 0 HB VAL A 27 0.752 -11.926 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.625 -12.604 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.101 -14.005 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.079 -13.406 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.507 -10.417 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.086 -11.129 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.828 -10.226 5.324 1.00 0.00 H new ATOM 501 N LYS A 28 -0.978 -15.299 5.959 1.00 0.00 N ATOM 502 CA LYS A 28 -0.594 -16.596 6.500 1.00 0.00 C ATOM 503 C LYS A 28 0.269 -17.366 5.505 1.00 0.00 C ATOM 504 O LYS A 28 -0.099 -17.525 4.343 1.00 0.00 O ATOM 505 CB LYS A 28 -1.838 -17.414 6.854 1.00 0.00 C ATOM 506 CG LYS A 28 -1.615 -18.403 7.986 1.00 0.00 C ATOM 507 CD LYS A 28 -2.927 -18.990 8.478 1.00 0.00 C ATOM 508 CE LYS A 28 -2.700 -20.255 9.292 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.982 -19.974 10.566 1.00 0.00 N ATOM 0 H LYS A 28 -1.459 -15.343 5.061 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.011 -16.426 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.643 -16.733 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.170 -17.957 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.961 -19.206 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.106 -17.905 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.451 -18.253 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.569 -19.214 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.660 -20.722 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.126 -20.969 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.847 -20.861 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.055 -19.551 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.542 -19.313 11.141 1.00 0.00 H new ATOM 523 N GLY A 29 1.418 -17.845 5.972 1.00 0.00 N ATOM 524 CA GLY A 29 2.314 -18.594 5.110 1.00 0.00 C ATOM 525 C GLY A 29 2.853 -19.843 5.779 1.00 0.00 C ATOM 526 O GLY A 29 2.778 -20.002 6.998 1.00 0.00 O ATOM 0 H GLY A 29 1.744 -17.728 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.787 -18.873 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.147 -17.956 4.814 1.00 0.00 H new ATOM 530 N PRO A 30 3.410 -20.758 4.973 1.00 0.00 N ATOM 531 CA PRO A 30 3.974 -22.016 5.472 1.00 0.00 C ATOM 532 C PRO A 30 5.253 -21.800 6.272 1.00 0.00 C ATOM 533 O PRO A 30 5.872 -22.756 6.741 1.00 0.00 O ATOM 534 CB PRO A 30 4.269 -22.805 4.193 1.00 0.00 C ATOM 535 CG PRO A 30 4.454 -21.765 3.142 1.00 0.00 C ATOM 536 CD PRO A 30 3.533 -20.635 3.510 1.00 0.00 C ATOM 0 HA PRO A 30 3.294 -22.525 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.162 -23.419 4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.448 -23.478 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.490 -21.428 3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.212 -22.160 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.947 -19.669 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.566 -20.728 3.016 1.00 0.00 H new ATOM 544 N ARG A 31 5.644 -20.540 6.426 1.00 0.00 N ATOM 545 CA ARG A 31 6.851 -20.199 7.170 1.00 0.00 C ATOM 546 C ARG A 31 6.515 -19.350 8.393 1.00 0.00 C ATOM 547 O ARG A 31 7.367 -19.109 9.247 1.00 0.00 O ATOM 548 CB ARG A 31 7.836 -19.449 6.271 1.00 0.00 C ATOM 549 CG ARG A 31 8.170 -20.188 4.985 1.00 0.00 C ATOM 550 CD ARG A 31 9.298 -21.186 5.192 1.00 0.00 C ATOM 551 NE ARG A 31 9.240 -22.285 4.233 1.00 0.00 N ATOM 552 CZ ARG A 31 9.696 -22.199 2.988 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.242 -21.071 2.554 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.608 -23.243 2.174 1.00 0.00 N ATOM 0 H ARG A 31 5.143 -19.737 6.045 1.00 0.00 H new ATOM 0 HA ARG A 31 7.312 -21.127 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.418 -18.474 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.757 -19.268 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.284 -20.709 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.454 -19.471 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.256 -20.674 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.247 -21.586 6.205 1.00 0.00 H new ATOM 0 HE ARG A 31 8.827 -23.167 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.313 -20.266 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.591 -21.008 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.190 -24.113 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.958 -23.176 1.218 1.00 0.00 H new ATOM 568 N GLY A 32 5.265 -18.900 8.469 1.00 0.00 N ATOM 569 CA GLY A 32 4.838 -18.083 9.590 1.00 0.00 C ATOM 570 C GLY A 32 3.592 -17.279 9.280 1.00 0.00 C ATOM 571 O GLY A 32 3.075 -17.327 8.163 1.00 0.00 O ATOM 0 H GLY A 32 4.542 -19.087 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.648 -18.724 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.644 -17.405 9.869 1.00 0.00 H new ATOM 575 N THR A 33 3.105 -16.539 10.271 1.00 0.00 N ATOM 576 CA THR A 33 1.910 -15.723 10.099 1.00 0.00 C ATOM 577 C THR A 33 2.176 -14.271 10.480 1.00 0.00 C ATOM 578 O THR A 33 2.611 -13.980 11.595 1.00 0.00 O ATOM 579 CB THR A 33 0.739 -16.257 10.946 1.00 0.00 C ATOM 580 OG1 THR A 33 0.559 -17.657 10.704 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.548 -15.513 10.621 1.00 0.00 C ATOM 0 H THR A 33 3.520 -16.488 11.201 1.00 0.00 H new ATOM 0 HA THR A 33 1.640 -15.776 9.044 1.00 0.00 H new ATOM 0 HB THR A 33 0.977 -16.097 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.186 -17.990 11.247 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.360 -15.908 11.231 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.418 -14.452 10.832 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.789 -15.646 9.566 1.00 0.00 H new ATOM 589 N LEU A 34 1.910 -13.362 9.548 1.00 0.00 N ATOM 590 CA LEU A 34 2.121 -11.939 9.787 1.00 0.00 C ATOM 591 C LEU A 34 0.876 -11.136 9.422 1.00 0.00 C ATOM 592 O LEU A 34 0.257 -11.371 8.384 1.00 0.00 O ATOM 593 CB LEU A 34 3.320 -11.437 8.980 1.00 0.00 C ATOM 594 CG LEU A 34 4.597 -12.271 9.088 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.585 -11.878 8.001 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.224 -12.109 10.465 1.00 0.00 C ATOM 0 H LEU A 34 1.548 -13.585 8.621 1.00 0.00 H new ATOM 0 HA LEU A 34 2.323 -11.800 10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.031 -11.386 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.546 -10.419 9.298 1.00 0.00 H new ATOM 0 HG LEU A 34 4.336 -13.320 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.488 -12.482 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.135 -12.046 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.842 -10.824 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.132 -12.709 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.471 -11.060 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.519 -12.441 11.227 1.00 0.00 H new ATOM 608 N ARG A 35 0.518 -10.185 10.278 1.00 0.00 N ATOM 609 CA ARG A 35 -0.651 -9.346 10.045 1.00 0.00 C ATOM 610 C ARG A 35 -0.336 -7.882 10.332 1.00 0.00 C ATOM 611 O ARG A 35 0.558 -7.572 11.120 1.00 0.00 O ATOM 612 CB ARG A 35 -1.819 -9.809 10.919 1.00 0.00 C ATOM 613 CG ARG A 35 -1.524 -9.753 12.409 1.00 0.00 C ATOM 614 CD ARG A 35 -2.608 -10.448 13.218 1.00 0.00 C ATOM 615 NE ARG A 35 -2.626 -11.890 12.982 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.601 -12.691 13.399 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.630 -12.193 14.071 1.00 0.00 N ATOM 618 NH2 ARG A 35 -3.546 -13.992 13.146 1.00 0.00 N ATOM 0 H ARG A 35 1.021 -9.976 11.140 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.931 -9.440 8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.689 -9.189 10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.082 -10.831 10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.561 -10.224 12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.442 -8.713 12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.448 -10.256 14.279 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.580 -10.026 12.961 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.848 -12.304 12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.674 -11.193 14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.377 -12.810 14.390 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.755 -14.378 12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.295 -14.606 13.466 1.00 0.00 H new ATOM 632 N ARG A 36 -1.076 -6.986 9.689 1.00 0.00 N ATOM 633 CA ARG A 36 -0.874 -5.554 9.874 1.00 0.00 C ATOM 634 C ARG A 36 -2.211 -4.828 10.003 1.00 0.00 C ATOM 635 O ARG A 36 -3.186 -5.180 9.338 1.00 0.00 O ATOM 636 CB ARG A 36 -0.077 -4.973 8.704 1.00 0.00 C ATOM 637 CG ARG A 36 0.522 -3.608 8.992 1.00 0.00 C ATOM 638 CD ARG A 36 1.786 -3.720 9.832 1.00 0.00 C ATOM 639 NE ARG A 36 1.497 -3.689 11.262 1.00 0.00 N ATOM 640 CZ ARG A 36 2.343 -4.118 12.192 1.00 0.00 C ATOM 641 NH1 ARG A 36 3.524 -4.608 11.844 1.00 0.00 N ATOM 642 NH2 ARG A 36 2.007 -4.057 13.475 1.00 0.00 N ATOM 0 H ARG A 36 -1.821 -7.226 9.035 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.310 -5.409 10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.725 -5.664 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.729 -4.898 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.751 -3.105 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.210 -2.991 9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.303 -4.648 9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.462 -2.902 9.581 1.00 0.00 H new ATOM 0 HE ARG A 36 0.596 -3.318 11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.786 -4.657 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.171 -4.936 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.099 -3.681 13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.657 -4.387 14.189 1.00 0.00 H new ATOM 656 N ASP A 37 -2.248 -3.815 10.860 1.00 0.00 N ATOM 657 CA ASP A 37 -3.464 -3.039 11.075 1.00 0.00 C ATOM 658 C ASP A 37 -3.280 -1.599 10.609 1.00 0.00 C ATOM 659 O ASP A 37 -2.339 -0.918 11.019 1.00 0.00 O ATOM 660 CB ASP A 37 -3.855 -3.064 12.555 1.00 0.00 C ATOM 661 CG ASP A 37 -5.159 -2.337 12.821 1.00 0.00 C ATOM 662 OD1 ASP A 37 -6.229 -2.959 12.659 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.108 -1.146 13.191 1.00 0.00 O ATOM 0 H ASP A 37 -1.450 -3.511 11.418 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.263 -3.492 10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.945 -4.098 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.061 -2.608 13.146 1.00 0.00 H new ATOM 668 N PHE A 38 -4.183 -1.140 9.750 1.00 0.00 N ATOM 669 CA PHE A 38 -4.118 0.219 9.226 1.00 0.00 C ATOM 670 C PHE A 38 -5.349 1.020 9.641 1.00 0.00 C ATOM 671 O PHE A 38 -5.880 1.810 8.862 1.00 0.00 O ATOM 672 CB PHE A 38 -4.003 0.196 7.700 1.00 0.00 C ATOM 673 CG PHE A 38 -2.883 -0.670 7.197 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.579 -0.202 7.189 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.134 -1.951 6.734 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.547 -0.996 6.726 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.107 -2.750 6.271 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.811 -2.272 6.267 1.00 0.00 C ATOM 0 H PHE A 38 -4.969 -1.689 9.402 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.233 0.700 9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.943 -0.158 7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.855 1.214 7.339 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.367 0.794 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.145 -2.330 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.465 -0.619 6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.317 -3.747 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.006 -2.895 5.906 1.00 0.00 H new ATOM 688 N ASN A 39 -5.796 0.811 10.876 1.00 0.00 N ATOM 689 CA ASN A 39 -6.963 1.512 11.395 1.00 0.00 C ATOM 690 C ASN A 39 -6.632 2.970 11.701 1.00 0.00 C ATOM 691 O ASN A 39 -7.235 3.885 11.140 1.00 0.00 O ATOM 692 CB ASN A 39 -7.480 0.820 12.658 1.00 0.00 C ATOM 693 CG ASN A 39 -8.793 1.404 13.141 1.00 0.00 C ATOM 694 OD1 ASN A 39 -8.822 2.464 13.767 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.889 0.712 12.853 1.00 0.00 N ATOM 0 H ASN A 39 -5.367 0.161 11.535 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.739 1.487 10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.610 -0.244 12.459 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.734 0.907 13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.802 1.054 13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.818 -0.162 12.332 1.00 0.00 H new ATOM 702 N HIS A 40 -5.667 3.178 12.591 1.00 0.00 N ATOM 703 CA HIS A 40 -5.254 4.523 12.971 1.00 0.00 C ATOM 704 C HIS A 40 -5.246 5.452 11.759 1.00 0.00 C ATOM 705 O HIS A 40 -5.402 6.665 11.893 1.00 0.00 O ATOM 706 CB HIS A 40 -3.866 4.492 13.613 1.00 0.00 C ATOM 707 CG HIS A 40 -2.795 3.983 12.698 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.850 2.748 12.089 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.636 4.551 12.290 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.771 2.576 11.347 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.018 3.657 11.450 1.00 0.00 N ATOM 0 H HIS A 40 -5.156 2.431 13.062 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.973 4.905 13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.604 5.498 13.942 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.900 3.864 14.504 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.266 5.526 12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.543 1.701 10.757 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.124 3.804 10.982 1.00 0.00 H new ATOM 719 N ILE A 41 -5.062 4.871 10.577 1.00 0.00 N ATOM 720 CA ILE A 41 -5.033 5.646 9.343 1.00 0.00 C ATOM 721 C ILE A 41 -6.324 5.466 8.552 1.00 0.00 C ATOM 722 O ILE A 41 -6.790 4.345 8.352 1.00 0.00 O ATOM 723 CB ILE A 41 -3.840 5.247 8.455 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.575 5.095 9.302 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.628 6.279 7.358 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.487 4.291 8.624 1.00 0.00 C ATOM 0 H ILE A 41 -4.931 3.868 10.449 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.927 6.692 9.629 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.059 4.287 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.188 6.085 9.543 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.835 4.616 10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.781 5.983 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.524 6.343 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.426 7.251 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.620 4.224 9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.857 3.289 8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.199 4.780 7.694 1.00 0.00 H new ATOM 738 N ASN A 42 -6.896 6.578 8.101 1.00 0.00 N ATOM 739 CA ASN A 42 -8.133 6.543 7.329 1.00 0.00 C ATOM 740 C ASN A 42 -7.840 6.523 5.833 1.00 0.00 C ATOM 741 O ASN A 42 -7.485 7.545 5.244 1.00 0.00 O ATOM 742 CB ASN A 42 -9.007 7.751 7.673 1.00 0.00 C ATOM 743 CG ASN A 42 -10.486 7.455 7.518 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.882 6.316 7.273 1.00 0.00 O ATOM 745 ND2 ASN A 42 -11.313 8.486 7.662 1.00 0.00 N ATOM 0 H ASN A 42 -6.523 7.514 8.257 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.668 5.630 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.807 8.061 8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.737 8.587 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.320 8.349 7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.941 9.414 7.865 1.00 0.00 H new ATOM 752 N VAL A 43 -7.991 5.353 5.221 1.00 0.00 N ATOM 753 CA VAL A 43 -7.745 5.199 3.792 1.00 0.00 C ATOM 754 C VAL A 43 -8.852 4.389 3.127 1.00 0.00 C ATOM 755 O VAL A 43 -9.834 4.019 3.769 1.00 0.00 O ATOM 756 CB VAL A 43 -6.392 4.514 3.527 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.244 5.473 3.801 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.258 3.254 4.370 1.00 0.00 C ATOM 0 H VAL A 43 -8.283 4.497 5.693 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.727 6.201 3.364 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.350 4.227 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.296 4.970 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.333 6.342 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.279 5.794 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.296 2.783 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.322 3.515 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.061 2.561 4.118 1.00 0.00 H new ATOM 768 N GLU A 44 -8.686 4.117 1.837 1.00 0.00 N ATOM 769 CA GLU A 44 -9.672 3.350 1.085 1.00 0.00 C ATOM 770 C GLU A 44 -9.080 2.030 0.599 1.00 0.00 C ATOM 771 O GLU A 44 -7.939 1.981 0.138 1.00 0.00 O ATOM 772 CB GLU A 44 -10.182 4.162 -0.107 1.00 0.00 C ATOM 773 CG GLU A 44 -11.072 5.329 0.288 1.00 0.00 C ATOM 774 CD GLU A 44 -11.844 5.068 1.566 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.774 4.236 1.539 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.517 5.696 2.595 1.00 0.00 O ATOM 0 H GLU A 44 -7.878 4.416 1.291 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.507 3.131 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.329 4.541 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.737 3.503 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.459 6.222 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.774 5.536 -0.520 1.00 0.00 H new ATOM 783 N LEU A 45 -9.863 0.962 0.705 1.00 0.00 N ATOM 784 CA LEU A 45 -9.417 -0.359 0.278 1.00 0.00 C ATOM 785 C LEU A 45 -10.553 -1.126 -0.393 1.00 0.00 C ATOM 786 O LEU A 45 -11.728 -0.826 -0.181 1.00 0.00 O ATOM 787 CB LEU A 45 -8.888 -1.152 1.473 1.00 0.00 C ATOM 788 CG LEU A 45 -7.837 -0.449 2.333 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.654 -1.178 3.654 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.514 -0.352 1.586 1.00 0.00 C ATOM 0 H LEU A 45 -10.810 0.985 1.083 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.613 -0.227 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.732 -1.417 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.462 -2.085 1.104 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.186 0.562 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.902 -0.663 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.600 -1.194 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.328 -2.200 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.778 0.151 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.159 -1.354 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.656 0.216 0.667 1.00 0.00 H new ATOM 802 N SER A 46 -10.194 -2.117 -1.203 1.00 0.00 N ATOM 803 CA SER A 46 -11.182 -2.926 -1.906 1.00 0.00 C ATOM 804 C SER A 46 -10.655 -4.337 -2.149 1.00 0.00 C ATOM 805 O SER A 46 -9.455 -4.541 -2.336 1.00 0.00 O ATOM 806 CB SER A 46 -11.553 -2.272 -3.237 1.00 0.00 C ATOM 807 OG SER A 46 -11.978 -0.934 -3.047 1.00 0.00 O ATOM 0 H SER A 46 -9.226 -2.379 -1.388 1.00 0.00 H new ATOM 0 HA SER A 46 -12.073 -2.992 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.694 -2.292 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.346 -2.844 -3.718 1.00 0.00 H new ATOM 0 HG SER A 46 -12.208 -0.538 -3.913 1.00 0.00 H new ATOM 813 N LEU A 47 -11.561 -5.309 -2.144 1.00 0.00 N ATOM 814 CA LEU A 47 -11.189 -6.703 -2.363 1.00 0.00 C ATOM 815 C LEU A 47 -11.406 -7.101 -3.821 1.00 0.00 C ATOM 816 O LEU A 47 -12.504 -6.956 -4.358 1.00 0.00 O ATOM 817 CB LEU A 47 -12.002 -7.619 -1.446 1.00 0.00 C ATOM 818 CG LEU A 47 -11.469 -9.042 -1.275 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.990 -9.655 0.015 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.852 -9.902 -2.470 1.00 0.00 C ATOM 0 H LEU A 47 -12.558 -5.158 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.130 -6.812 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.062 -7.154 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.019 -7.678 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.381 -8.998 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.600 -10.668 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.664 -9.051 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.079 -9.686 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.464 -10.911 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.938 -9.939 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.429 -9.473 -3.378 1.00 0.00 H new ATOM 832 N LEU A 48 -10.352 -7.604 -4.454 1.00 0.00 N ATOM 833 CA LEU A 48 -10.427 -8.026 -5.848 1.00 0.00 C ATOM 834 C LEU A 48 -9.998 -9.481 -6.000 1.00 0.00 C ATOM 835 O LEU A 48 -9.028 -9.921 -5.384 1.00 0.00 O ATOM 836 CB LEU A 48 -9.547 -7.129 -6.721 1.00 0.00 C ATOM 837 CG LEU A 48 -9.796 -5.625 -6.602 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.074 -4.875 -7.712 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.287 -5.327 -6.638 1.00 0.00 C ATOM 0 H LEU A 48 -9.436 -7.729 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.463 -7.936 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.504 -7.325 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.687 -7.419 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.401 -5.285 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.263 -3.806 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.003 -5.063 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.439 -5.218 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.445 -4.252 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.706 -5.681 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.779 -5.834 -5.808 1.00 0.00 H new ATOM 851 N GLY A 49 -10.727 -10.225 -6.828 1.00 0.00 N ATOM 852 CA GLY A 49 -10.405 -11.622 -7.048 1.00 0.00 C ATOM 853 C GLY A 49 -10.852 -12.112 -8.411 1.00 0.00 C ATOM 854 O GLY A 49 -11.459 -13.177 -8.528 1.00 0.00 O ATOM 0 H GLY A 49 -11.534 -9.884 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.329 -11.764 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.878 -12.227 -6.275 1.00 0.00 H new ATOM 858 N LYS A 50 -10.554 -11.333 -9.445 1.00 0.00 N ATOM 859 CA LYS A 50 -10.929 -11.692 -10.807 1.00 0.00 C ATOM 860 C LYS A 50 -10.329 -13.038 -11.200 1.00 0.00 C ATOM 861 O LYS A 50 -10.986 -13.859 -11.841 1.00 0.00 O ATOM 862 CB LYS A 50 -10.468 -10.611 -11.788 1.00 0.00 C ATOM 863 CG LYS A 50 -10.824 -10.909 -13.234 1.00 0.00 C ATOM 864 CD LYS A 50 -10.422 -9.768 -14.153 1.00 0.00 C ATOM 865 CE LYS A 50 -10.381 -10.212 -15.607 1.00 0.00 C ATOM 866 NZ LYS A 50 -11.728 -10.157 -16.241 1.00 0.00 N ATOM 0 H LYS A 50 -10.053 -10.448 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.015 -11.772 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.914 -9.659 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.387 -10.494 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.326 -11.825 -13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.897 -11.084 -13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.128 -8.945 -14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.443 -9.390 -13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.692 -9.575 -16.162 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.993 -11.229 -15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.658 -10.467 -17.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.380 -10.784 -15.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.088 -9.182 -16.208 1.00 0.00 H new ATOM 880 N LYS A 51 -9.079 -13.260 -10.810 1.00 0.00 N ATOM 881 CA LYS A 51 -8.389 -14.507 -11.118 1.00 0.00 C ATOM 882 C LYS A 51 -7.799 -15.129 -9.857 1.00 0.00 C ATOM 883 O LYS A 51 -7.925 -16.332 -9.628 1.00 0.00 O ATOM 884 CB LYS A 51 -7.281 -14.261 -12.145 1.00 0.00 C ATOM 885 CG LYS A 51 -6.537 -15.523 -12.550 1.00 0.00 C ATOM 886 CD LYS A 51 -5.931 -15.391 -13.937 1.00 0.00 C ATOM 887 CE LYS A 51 -4.636 -14.592 -13.906 1.00 0.00 C ATOM 888 NZ LYS A 51 -4.208 -14.176 -15.270 1.00 0.00 N ATOM 0 H LYS A 51 -8.522 -12.591 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.117 -15.201 -11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.716 -13.804 -13.034 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.569 -13.545 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.749 -15.730 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.220 -16.372 -12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.738 -16.382 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.644 -14.904 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.769 -13.708 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.850 -15.191 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.322 -13.634 -15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.056 -15.020 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.946 -13.583 -15.700 1.00 0.00 H new ATOM 902 N LYS A 52 -7.158 -14.302 -9.039 1.00 0.00 N ATOM 903 CA LYS A 52 -6.551 -14.769 -7.798 1.00 0.00 C ATOM 904 C LYS A 52 -6.773 -13.765 -6.672 1.00 0.00 C ATOM 905 O LYS A 52 -7.155 -12.620 -6.913 1.00 0.00 O ATOM 906 CB LYS A 52 -5.052 -15.005 -7.997 1.00 0.00 C ATOM 907 CG LYS A 52 -4.736 -16.193 -8.890 1.00 0.00 C ATOM 908 CD LYS A 52 -3.237 -16.404 -9.027 1.00 0.00 C ATOM 909 CE LYS A 52 -2.701 -17.324 -7.942 1.00 0.00 C ATOM 910 NZ LYS A 52 -1.374 -17.892 -8.302 1.00 0.00 N ATOM 0 H LYS A 52 -7.045 -13.303 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.027 -15.710 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.606 -14.109 -8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.585 -15.158 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.195 -17.092 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.174 -16.035 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.017 -16.828 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.727 -15.442 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.618 -16.772 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.409 -18.135 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.043 -18.514 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.458 -18.441 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.692 -17.119 -8.440 1.00 0.00 H new ATOM 924 N LYS A 53 -6.531 -14.201 -5.441 1.00 0.00 N ATOM 925 CA LYS A 53 -6.701 -13.341 -4.276 1.00 0.00 C ATOM 926 C LYS A 53 -5.860 -12.076 -4.406 1.00 0.00 C ATOM 927 O LYS A 53 -4.683 -12.062 -4.045 1.00 0.00 O ATOM 928 CB LYS A 53 -6.317 -14.093 -3.000 1.00 0.00 C ATOM 929 CG LYS A 53 -7.104 -13.655 -1.776 1.00 0.00 C ATOM 930 CD LYS A 53 -6.700 -12.262 -1.323 1.00 0.00 C ATOM 931 CE LYS A 53 -7.573 -11.194 -1.962 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.954 -11.198 -1.406 1.00 0.00 N ATOM 0 H LYS A 53 -6.216 -15.147 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.751 -13.054 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.470 -15.161 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.254 -13.948 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.170 -13.670 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.941 -14.364 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.776 -12.195 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.656 -12.083 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.121 -10.214 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.615 -11.356 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.633 -10.973 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.169 -12.138 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.027 -10.486 -0.652 1.00 0.00 H new ATOM 946 N ARG A 54 -6.471 -11.014 -4.923 1.00 0.00 N ATOM 947 CA ARG A 54 -5.778 -9.744 -5.100 1.00 0.00 C ATOM 948 C ARG A 54 -6.337 -8.684 -4.156 1.00 0.00 C ATOM 949 O ARG A 54 -7.532 -8.667 -3.862 1.00 0.00 O ATOM 950 CB ARG A 54 -5.900 -9.270 -6.549 1.00 0.00 C ATOM 951 CG ARG A 54 -5.082 -10.092 -7.531 1.00 0.00 C ATOM 952 CD ARG A 54 -4.686 -9.272 -8.749 1.00 0.00 C ATOM 953 NE ARG A 54 -5.735 -9.259 -9.765 1.00 0.00 N ATOM 954 CZ ARG A 54 -5.651 -8.575 -10.901 1.00 0.00 C ATOM 955 NH1 ARG A 54 -4.570 -7.853 -11.164 1.00 0.00 N ATOM 956 NH2 ARG A 54 -6.647 -8.614 -11.776 1.00 0.00 N ATOM 0 H ARG A 54 -7.445 -11.009 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.725 -9.896 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.948 -9.303 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.584 -8.228 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.186 -10.466 -7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.658 -10.961 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.466 -8.250 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.771 -9.679 -9.178 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.579 -9.805 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.802 -7.822 -10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.507 -7.328 -12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.479 -9.170 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.581 -8.088 -12.648 1.00 0.00 H new ATOM 970 N LEU A 55 -5.464 -7.800 -3.685 1.00 0.00 N ATOM 971 CA LEU A 55 -5.869 -6.735 -2.774 1.00 0.00 C ATOM 972 C LEU A 55 -5.689 -5.366 -3.423 1.00 0.00 C ATOM 973 O LEU A 55 -4.647 -5.079 -4.012 1.00 0.00 O ATOM 974 CB LEU A 55 -5.059 -6.809 -1.479 1.00 0.00 C ATOM 975 CG LEU A 55 -5.036 -5.539 -0.629 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.366 -5.350 0.085 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.893 -5.589 0.375 1.00 0.00 C ATOM 0 H LEU A 55 -4.471 -7.800 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.925 -6.871 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.456 -7.622 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.032 -7.072 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.876 -4.687 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.331 -4.441 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.166 -5.268 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.556 -6.206 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.892 -4.677 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.022 -6.451 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.945 -5.676 -0.157 1.00 0.00 H new ATOM 989 N ARG A 56 -6.711 -4.523 -3.306 1.00 0.00 N ATOM 990 CA ARG A 56 -6.665 -3.184 -3.880 1.00 0.00 C ATOM 991 C ARG A 56 -6.444 -2.135 -2.795 1.00 0.00 C ATOM 992 O ARG A 56 -7.256 -1.991 -1.881 1.00 0.00 O ATOM 993 CB ARG A 56 -7.961 -2.886 -4.636 1.00 0.00 C ATOM 994 CG ARG A 56 -7.924 -1.583 -5.419 1.00 0.00 C ATOM 995 CD ARG A 56 -9.144 -1.435 -6.314 1.00 0.00 C ATOM 996 NE ARG A 56 -9.483 -0.035 -6.550 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.673 0.371 -6.980 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.632 -0.513 -7.218 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.906 1.663 -7.171 1.00 0.00 N ATOM 0 H ARG A 56 -7.580 -4.744 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.828 -3.143 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.168 -3.707 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.786 -2.849 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.876 -0.743 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.020 -1.548 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.956 -1.928 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.993 -1.941 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.767 0.670 -6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.457 -1.507 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.545 -0.199 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.171 2.346 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.820 1.973 -7.501 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.338 -1.404 -2.901 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.009 -0.368 -1.930 1.00 0.00 C ATOM 1015 C VAL A 57 -5.328 1.019 -2.477 1.00 0.00 C ATOM 1016 O VAL A 57 -4.875 1.389 -3.560 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.522 -0.422 -1.532 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.181 0.716 -0.584 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.187 -1.767 -0.906 1.00 0.00 C ATOM 0 H VAL A 57 -4.655 -1.511 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.620 -0.557 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.919 -0.306 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.126 0.661 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.381 1.669 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.791 0.635 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.133 -1.788 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.797 -1.916 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.391 -2.563 -1.623 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.109 1.782 -1.720 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.486 3.131 -2.128 1.00 0.00 C ATOM 1031 C ASP A 58 -6.275 4.122 -0.988 1.00 0.00 C ATOM 1032 O ASP A 58 -6.325 3.755 0.186 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.947 3.158 -2.582 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.261 2.070 -3.590 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.313 1.415 -4.070 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.455 1.875 -3.898 1.00 0.00 O ATOM 0 H ASP A 58 -6.493 1.490 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.849 3.425 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.596 3.043 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.170 4.131 -3.020 1.00 0.00 H new ATOM 1041 N LYS A 59 -6.038 5.381 -1.342 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.820 6.427 -0.350 1.00 0.00 C ATOM 1043 C LYS A 59 -6.424 7.749 -0.812 1.00 0.00 C ATOM 1044 O LYS A 59 -6.840 7.884 -1.962 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.323 6.603 -0.087 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.562 7.182 -1.267 1.00 0.00 C ATOM 1047 CD LYS A 59 -3.510 8.699 -1.208 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.408 9.184 -0.278 1.00 0.00 C ATOM 1049 NZ LYS A 59 -2.852 9.215 1.141 1.00 0.00 N ATOM 0 H LYS A 59 -5.992 5.701 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.313 6.126 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.189 7.255 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.892 5.636 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.548 6.783 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.038 6.869 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.344 9.097 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.471 9.084 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.540 8.531 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.091 10.182 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.383 10.001 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.883 9.348 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.602 8.317 1.603 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.470 8.721 0.093 1.00 0.00 N ATOM 1064 CA TRP A 60 -7.023 10.033 -0.223 1.00 0.00 C ATOM 1065 C TRP A 60 -6.615 10.473 -1.623 1.00 0.00 C ATOM 1066 O TRP A 60 -5.497 10.945 -1.835 1.00 0.00 O ATOM 1067 CB TRP A 60 -6.559 11.065 0.805 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.950 10.721 2.212 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -6.230 9.976 3.102 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -8.152 11.105 2.886 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.914 9.875 4.290 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -8.095 10.560 4.184 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -9.271 11.859 2.521 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -9.114 10.744 5.114 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -10.282 12.041 3.445 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -10.198 11.486 4.729 1.00 0.00 C ATOM 0 H TRP A 60 -6.131 8.625 1.050 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.110 9.959 -0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.475 11.160 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.978 12.038 0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.266 9.532 2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.594 9.371 5.117 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -9.344 12.292 1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -9.052 10.317 6.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.152 12.621 3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -11.005 11.647 5.429 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.525 10.317 -2.578 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.258 10.700 -3.960 1.00 0.00 C ATOM 1089 C TRP A 61 -6.985 12.195 -4.067 1.00 0.00 C ATOM 1090 O TRP A 61 -7.843 13.018 -3.746 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.440 10.319 -4.854 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.159 9.087 -4.395 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.640 7.828 -4.290 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.526 8.995 -3.982 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.603 6.959 -3.837 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.769 7.650 -3.640 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.569 9.918 -3.867 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.012 7.209 -3.191 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.802 9.479 -3.423 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.014 8.135 -3.089 1.00 0.00 C ATOM 0 H TRP A 61 -8.455 9.928 -2.421 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.371 10.163 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.144 11.151 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.081 10.164 -5.872 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.622 7.556 -4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.471 5.961 -3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.414 10.956 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.179 6.174 -2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.615 10.184 -3.332 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.989 7.823 -2.744 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.783 12.542 -4.520 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.420 13.940 -4.661 1.00 0.00 C ATOM 1113 C GLY A 62 -4.034 14.122 -5.247 1.00 0.00 C ATOM 1114 O GLY A 62 -3.818 13.885 -6.434 1.00 0.00 O ATOM 0 H GLY A 62 -5.056 11.880 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.149 14.439 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.465 14.424 -3.686 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.090 14.546 -4.412 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.718 14.761 -4.854 1.00 0.00 C ATOM 1120 C ASN A 63 -1.025 13.434 -5.147 1.00 0.00 C ATOM 1121 O ASN A 63 -1.649 12.373 -5.098 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.934 15.535 -3.793 1.00 0.00 C ATOM 1123 CG ASN A 63 -1.683 16.756 -3.295 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -2.456 17.368 -4.034 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.458 17.117 -2.037 1.00 0.00 N ATOM 0 H ASN A 63 -3.251 14.747 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.747 15.345 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.719 14.876 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.025 15.845 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.934 17.931 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.809 16.581 -1.461 1.00 0.00 H new ATOM 1132 N ARG A 64 0.267 13.500 -5.450 1.00 0.00 N ATOM 1133 CA ARG A 64 1.044 12.304 -5.750 1.00 0.00 C ATOM 1134 C ARG A 64 1.500 11.615 -4.467 1.00 0.00 C ATOM 1135 O ARG A 64 2.434 10.813 -4.478 1.00 0.00 O ATOM 1136 CB ARG A 64 2.259 12.662 -6.608 1.00 0.00 C ATOM 1137 CG ARG A 64 3.163 13.708 -5.979 1.00 0.00 C ATOM 1138 CD ARG A 64 4.595 13.577 -6.471 1.00 0.00 C ATOM 1139 NE ARG A 64 5.417 14.719 -6.079 1.00 0.00 N ATOM 1140 CZ ARG A 64 6.729 14.783 -6.276 1.00 0.00 C ATOM 1141 NH1 ARG A 64 7.364 13.776 -6.858 1.00 0.00 N ATOM 1142 NH2 ARG A 64 7.407 15.856 -5.891 1.00 0.00 N ATOM 0 H ARG A 64 0.798 14.370 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 64 0.405 11.616 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.839 11.759 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.915 13.027 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.787 14.704 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.139 13.606 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.033 12.662 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.598 13.485 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 64 4.958 15.511 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.845 12.950 -7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.372 13.827 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.921 16.633 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.415 15.904 -6.043 1.00 0.00 H new ATOM 1156 N LYS A 65 0.834 11.933 -3.362 1.00 0.00 N ATOM 1157 CA LYS A 65 1.167 11.345 -2.071 1.00 0.00 C ATOM 1158 C LYS A 65 0.925 9.839 -2.079 1.00 0.00 C ATOM 1159 O LYS A 65 1.623 9.086 -1.402 1.00 0.00 O ATOM 1160 CB LYS A 65 0.342 11.999 -0.960 1.00 0.00 C ATOM 1161 CG LYS A 65 0.535 11.354 0.401 1.00 0.00 C ATOM 1162 CD LYS A 65 1.740 11.930 1.125 1.00 0.00 C ATOM 1163 CE LYS A 65 3.038 11.320 0.619 1.00 0.00 C ATOM 1164 NZ LYS A 65 4.122 11.400 1.638 1.00 0.00 N ATOM 0 H LYS A 65 0.059 12.596 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 65 2.225 11.524 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.609 13.054 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.714 11.953 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.360 11.503 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.662 10.278 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.766 13.011 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.644 11.748 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.869 10.277 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.353 11.836 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.990 10.974 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.301 12.396 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.832 10.886 2.494 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.068 9.408 -2.851 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.401 7.992 -2.948 1.00 0.00 C ATOM 1180 C GLU A 66 0.811 7.178 -3.393 1.00 0.00 C ATOM 1181 O GLU A 66 0.898 5.978 -3.129 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.558 7.782 -3.927 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.122 7.719 -5.380 1.00 0.00 C ATOM 1184 CD GLU A 66 -2.186 8.227 -6.333 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.228 8.719 -5.850 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -1.978 8.133 -7.560 1.00 0.00 O ATOM 0 H GLU A 66 -0.656 10.019 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.705 7.648 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.076 6.857 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.276 8.593 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.214 8.308 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.873 6.689 -5.636 1.00 0.00 H new ATOM 1193 N LEU A 67 1.743 7.838 -4.071 1.00 0.00 N ATOM 1194 CA LEU A 67 2.950 7.177 -4.556 1.00 0.00 C ATOM 1195 C LEU A 67 3.788 6.655 -3.393 1.00 0.00 C ATOM 1196 O LEU A 67 4.193 5.492 -3.379 1.00 0.00 O ATOM 1197 CB LEU A 67 3.780 8.143 -5.404 1.00 0.00 C ATOM 1198 CG LEU A 67 5.218 7.714 -5.695 1.00 0.00 C ATOM 1199 CD1 LEU A 67 5.267 6.802 -6.911 1.00 0.00 C ATOM 1200 CD2 LEU A 67 6.105 8.932 -5.903 1.00 0.00 C ATOM 0 H LEU A 67 1.686 8.831 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 67 2.648 6.330 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.267 8.293 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.805 9.109 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 67 5.593 7.159 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.299 6.507 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.664 5.913 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.874 7.331 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.125 8.608 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.732 9.514 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.094 9.548 -5.004 1.00 0.00 H new ATOM 1212 N ALA A 68 4.043 7.521 -2.418 1.00 0.00 N ATOM 1213 CA ALA A 68 4.828 7.146 -1.249 1.00 0.00 C ATOM 1214 C ALA A 68 4.041 6.216 -0.333 1.00 0.00 C ATOM 1215 O ALA A 68 4.588 5.263 0.222 1.00 0.00 O ATOM 1216 CB ALA A 68 5.271 8.388 -0.490 1.00 0.00 C ATOM 0 H ALA A 68 3.717 8.488 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 68 5.712 6.610 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.856 8.093 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.880 9.015 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.394 8.948 -0.165 1.00 0.00 H new ATOM 1222 N THR A 69 2.751 6.500 -0.177 1.00 0.00 N ATOM 1223 CA THR A 69 1.888 5.691 0.674 1.00 0.00 C ATOM 1224 C THR A 69 1.694 4.295 0.092 1.00 0.00 C ATOM 1225 O THR A 69 1.666 3.305 0.823 1.00 0.00 O ATOM 1226 CB THR A 69 0.509 6.351 0.865 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.617 7.459 1.766 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.501 5.348 1.405 1.00 0.00 C ATOM 0 H THR A 69 2.282 7.284 -0.629 1.00 0.00 H new ATOM 0 HA THR A 69 2.383 5.613 1.642 1.00 0.00 H new ATOM 0 HB THR A 69 0.162 6.705 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.263 7.874 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.467 5.837 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.602 4.520 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.158 4.968 2.367 1.00 0.00 H new ATOM 1236 N VAL A 70 1.563 4.223 -1.229 1.00 0.00 N ATOM 1237 CA VAL A 70 1.374 2.948 -1.910 1.00 0.00 C ATOM 1238 C VAL A 70 2.629 2.087 -1.822 1.00 0.00 C ATOM 1239 O VAL A 70 2.551 0.881 -1.582 1.00 0.00 O ATOM 1240 CB VAL A 70 1.008 3.152 -3.392 1.00 0.00 C ATOM 1241 CG1 VAL A 70 1.244 1.873 -4.181 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.436 3.610 -3.525 1.00 0.00 C ATOM 0 H VAL A 70 1.584 5.033 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 70 0.552 2.439 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 70 1.652 3.929 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.980 2.036 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.295 1.592 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.627 1.074 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.678 3.749 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.098 2.857 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.569 4.553 -2.994 1.00 0.00 H new ATOM 1252 N ARG A 71 3.785 2.713 -2.015 1.00 0.00 N ATOM 1253 CA ARG A 71 5.057 2.004 -1.958 1.00 0.00 C ATOM 1254 C ARG A 71 5.305 1.442 -0.561 1.00 0.00 C ATOM 1255 O ARG A 71 5.828 0.338 -0.407 1.00 0.00 O ATOM 1256 CB ARG A 71 6.203 2.935 -2.356 1.00 0.00 C ATOM 1257 CG ARG A 71 6.467 2.973 -3.852 1.00 0.00 C ATOM 1258 CD ARG A 71 7.702 3.798 -4.180 1.00 0.00 C ATOM 1259 NE ARG A 71 8.330 3.369 -5.427 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.323 4.029 -6.013 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.797 5.141 -5.469 1.00 0.00 N ATOM 1262 NH2 ARG A 71 9.844 3.576 -7.146 1.00 0.00 N ATOM 0 H ARG A 71 3.867 3.710 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 71 5.012 1.173 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.977 3.944 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.111 2.618 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.597 1.957 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.601 3.393 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.426 4.850 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.421 3.715 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 71 7.988 2.517 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.399 5.492 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.559 5.645 -5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.482 2.721 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.606 4.083 -7.595 1.00 0.00 H new ATOM 1276 N THR A 72 4.925 2.211 0.455 1.00 0.00 N ATOM 1277 CA THR A 72 5.108 1.793 1.840 1.00 0.00 C ATOM 1278 C THR A 72 4.147 0.667 2.205 1.00 0.00 C ATOM 1279 O THR A 72 4.559 -0.368 2.730 1.00 0.00 O ATOM 1280 CB THR A 72 4.898 2.968 2.814 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.692 4.088 2.409 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.267 2.565 4.233 1.00 0.00 C ATOM 0 H THR A 72 4.489 3.126 0.345 1.00 0.00 H new ATOM 0 HA THR A 72 6.134 1.436 1.930 1.00 0.00 H new ATOM 0 HB THR A 72 3.844 3.245 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.256 4.544 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.111 3.410 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.641 1.731 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.314 2.265 4.265 1.00 0.00 H new ATOM 1290 N ILE A 73 2.865 0.874 1.923 1.00 0.00 N ATOM 1291 CA ILE A 73 1.847 -0.125 2.220 1.00 0.00 C ATOM 1292 C ILE A 73 2.068 -1.395 1.405 1.00 0.00 C ATOM 1293 O ILE A 73 2.034 -2.503 1.942 1.00 0.00 O ATOM 1294 CB ILE A 73 0.431 0.412 1.937 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.115 1.588 2.863 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.599 -0.695 2.105 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.277 2.150 2.671 1.00 0.00 C ATOM 0 H ILE A 73 2.507 1.725 1.489 1.00 0.00 H new ATOM 0 HA ILE A 73 1.934 -0.357 3.281 1.00 0.00 H new ATOM 0 HB ILE A 73 0.390 0.764 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.229 1.266 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.845 2.380 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.594 -0.300 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.380 -1.504 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.561 -1.075 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.432 2.980 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.389 2.503 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.014 1.372 2.869 1.00 0.00 H new ATOM 1309 N CYS A 74 2.298 -1.226 0.107 1.00 0.00 N ATOM 1310 CA CYS A 74 2.527 -2.359 -0.782 1.00 0.00 C ATOM 1311 C CYS A 74 3.741 -3.166 -0.334 1.00 0.00 C ATOM 1312 O CYS A 74 3.705 -4.396 -0.302 1.00 0.00 O ATOM 1313 CB CYS A 74 2.722 -1.874 -2.220 1.00 0.00 C ATOM 1314 SG CYS A 74 2.997 -3.203 -3.415 1.00 0.00 S ATOM 0 H CYS A 74 2.331 -0.316 -0.352 1.00 0.00 H new ATOM 0 HA CYS A 74 1.650 -3.005 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.844 -1.304 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.571 -1.191 -2.250 1.00 0.00 H new ATOM 0 HG CYS A 74 2.443 -2.889 -4.548 1.00 0.00 H new ATOM 1320 N SER A 75 4.817 -2.464 0.008 1.00 0.00 N ATOM 1321 CA SER A 75 6.045 -3.114 0.449 1.00 0.00 C ATOM 1322 C SER A 75 5.797 -3.955 1.698 1.00 0.00 C ATOM 1323 O SER A 75 6.331 -5.057 1.835 1.00 0.00 O ATOM 1324 CB SER A 75 7.127 -2.070 0.731 1.00 0.00 C ATOM 1325 OG SER A 75 8.362 -2.689 1.049 1.00 0.00 O ATOM 0 H SER A 75 4.863 -1.445 -0.012 1.00 0.00 H new ATOM 0 HA SER A 75 6.385 -3.773 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.252 -1.427 -0.140 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.814 -1.431 1.556 1.00 0.00 H new ATOM 0 HG SER A 75 9.037 -2.001 1.224 1.00 0.00 H new ATOM 1331 N HIS A 76 4.983 -3.428 2.606 1.00 0.00 N ATOM 1332 CA HIS A 76 4.662 -4.130 3.844 1.00 0.00 C ATOM 1333 C HIS A 76 3.980 -5.462 3.552 1.00 0.00 C ATOM 1334 O HIS A 76 4.371 -6.502 4.086 1.00 0.00 O ATOM 1335 CB HIS A 76 3.761 -3.264 4.727 1.00 0.00 C ATOM 1336 CG HIS A 76 4.493 -2.167 5.435 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.697 -2.358 6.081 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.186 -0.858 5.597 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.098 -1.216 6.609 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.198 -0.290 6.330 1.00 0.00 N ATOM 0 H HIS A 76 4.533 -2.518 2.508 1.00 0.00 H new ATOM 0 HA HIS A 76 5.594 -4.328 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.975 -2.827 4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.272 -3.899 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.308 -0.355 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.007 -1.065 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.247 0.689 6.613 1.00 0.00 H new ATOM 1348 N VAL A 77 2.959 -5.426 2.703 1.00 0.00 N ATOM 1349 CA VAL A 77 2.223 -6.631 2.340 1.00 0.00 C ATOM 1350 C VAL A 77 3.113 -7.613 1.588 1.00 0.00 C ATOM 1351 O VAL A 77 3.142 -8.803 1.901 1.00 0.00 O ATOM 1352 CB VAL A 77 0.995 -6.298 1.470 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.224 -7.564 1.128 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.099 -5.293 2.178 1.00 0.00 C ATOM 0 H VAL A 77 2.622 -4.575 2.253 1.00 0.00 H new ATOM 0 HA VAL A 77 1.887 -7.089 3.270 1.00 0.00 H new ATOM 0 HB VAL A 77 1.341 -5.850 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.639 -7.309 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.872 -8.247 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.113 -8.044 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.763 -5.069 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.241 -5.712 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.658 -4.377 2.367 1.00 0.00 H new ATOM 1364 N GLN A 78 3.838 -7.106 0.595 1.00 0.00 N ATOM 1365 CA GLN A 78 4.729 -7.941 -0.202 1.00 0.00 C ATOM 1366 C GLN A 78 5.822 -8.555 0.667 1.00 0.00 C ATOM 1367 O GLN A 78 6.160 -9.728 0.518 1.00 0.00 O ATOM 1368 CB GLN A 78 5.360 -7.119 -1.327 1.00 0.00 C ATOM 1369 CG GLN A 78 4.366 -6.683 -2.392 1.00 0.00 C ATOM 1370 CD GLN A 78 3.663 -7.854 -3.049 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.628 -8.367 -2.395 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.047 -8.293 -4.135 1.00 0.00 N flip ATOM 0 H GLN A 78 3.826 -6.123 0.324 1.00 0.00 H new ATOM 0 HA GLN A 78 4.138 -8.748 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.833 -6.235 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.149 -7.706 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.623 -6.024 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.887 -6.103 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.848 -7.868 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.564 -9.081 -4.566 1.00 0.00 H new ATOM 1381 N ASN A 79 6.368 -7.755 1.577 1.00 0.00 N ATOM 1382 CA ASN A 79 7.422 -8.221 2.470 1.00 0.00 C ATOM 1383 C ASN A 79 6.908 -9.323 3.391 1.00 0.00 C ATOM 1384 O ASN A 79 7.637 -10.257 3.726 1.00 0.00 O ATOM 1385 CB ASN A 79 7.966 -7.057 3.302 1.00 0.00 C ATOM 1386 CG ASN A 79 8.941 -7.515 4.369 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.133 -7.677 4.109 1.00 0.00 O ATOM 1388 ND2 ASN A 79 8.436 -7.728 5.580 1.00 0.00 N ATOM 0 H ASN A 79 6.098 -6.781 1.715 1.00 0.00 H new ATOM 0 HA ASN A 79 8.227 -8.630 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.461 -6.344 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.135 -6.532 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.043 -8.038 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.441 -7.581 5.751 1.00 0.00 H new ATOM 1395 N MET A 80 5.648 -9.207 3.797 1.00 0.00 N ATOM 1396 CA MET A 80 5.035 -10.194 4.679 1.00 0.00 C ATOM 1397 C MET A 80 4.921 -11.547 3.984 1.00 0.00 C ATOM 1398 O MET A 80 5.245 -12.583 4.564 1.00 0.00 O ATOM 1399 CB MET A 80 3.652 -9.719 5.128 1.00 0.00 C ATOM 1400 CG MET A 80 3.697 -8.584 6.137 1.00 0.00 C ATOM 1401 SD MET A 80 2.144 -7.671 6.226 1.00 0.00 S ATOM 1402 CE MET A 80 1.343 -8.501 7.596 1.00 0.00 C ATOM 0 H MET A 80 5.031 -8.440 3.530 1.00 0.00 H new ATOM 0 HA MET A 80 5.673 -10.308 5.555 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.087 -9.395 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.112 -10.560 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.934 -8.988 7.122 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.502 -7.899 5.871 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.288 -8.228 7.620 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.436 -9.580 7.473 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.817 -8.200 8.531 1.00 0.00 H new ATOM 1412 N ILE A 81 4.457 -11.529 2.738 1.00 0.00 N ATOM 1413 CA ILE A 81 4.302 -12.755 1.964 1.00 0.00 C ATOM 1414 C ILE A 81 5.641 -13.459 1.773 1.00 0.00 C ATOM 1415 O ILE A 81 5.759 -14.664 1.995 1.00 0.00 O ATOM 1416 CB ILE A 81 3.681 -12.473 0.584 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.336 -11.761 0.739 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.512 -13.768 -0.196 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.887 -11.035 -0.509 1.00 0.00 C ATOM 0 H ILE A 81 4.182 -10.680 2.244 1.00 0.00 H new ATOM 0 HA ILE A 81 3.632 -13.403 2.530 1.00 0.00 H new ATOM 0 HB ILE A 81 4.354 -11.820 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.577 -12.493 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.405 -11.047 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.072 -13.552 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.485 -14.239 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.858 -14.443 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.926 -10.554 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.626 -10.279 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.785 -11.747 -1.328 1.00 0.00 H new ATOM 1431 N LYS A 82 6.649 -12.698 1.362 1.00 0.00 N ATOM 1432 CA LYS A 82 7.983 -13.246 1.143 1.00 0.00 C ATOM 1433 C LYS A 82 8.564 -13.796 2.442 1.00 0.00 C ATOM 1434 O LYS A 82 9.293 -14.788 2.435 1.00 0.00 O ATOM 1435 CB LYS A 82 8.912 -12.172 0.572 1.00 0.00 C ATOM 1436 CG LYS A 82 8.621 -11.826 -0.878 1.00 0.00 C ATOM 1437 CD LYS A 82 9.729 -10.979 -1.483 1.00 0.00 C ATOM 1438 CE LYS A 82 10.836 -11.843 -2.066 1.00 0.00 C ATOM 1439 NZ LYS A 82 12.048 -11.043 -2.396 1.00 0.00 N ATOM 0 H LYS A 82 6.568 -11.699 1.174 1.00 0.00 H new ATOM 0 HA LYS A 82 7.899 -14.063 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.825 -11.269 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.944 -12.514 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.506 -12.743 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.675 -11.289 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.315 -10.340 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.144 -10.321 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.100 -12.625 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.473 -12.340 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.780 -11.668 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.802 -10.313 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.410 -10.589 -1.533 1.00 0.00 H new ATOM 1453 N GLY A 83 8.235 -13.147 3.554 1.00 0.00 N ATOM 1454 CA GLY A 83 8.731 -13.588 4.845 1.00 0.00 C ATOM 1455 C GLY A 83 8.047 -14.850 5.330 1.00 0.00 C ATOM 1456 O GLY A 83 8.668 -15.692 5.978 1.00 0.00 O ATOM 0 H GLY A 83 7.634 -12.324 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.805 -13.764 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.584 -12.794 5.577 1.00 0.00 H new ATOM 1460 N VAL A 84 6.762 -14.983 5.016 1.00 0.00 N ATOM 1461 CA VAL A 84 5.991 -16.151 5.424 1.00 0.00 C ATOM 1462 C VAL A 84 6.118 -17.278 4.405 1.00 0.00 C ATOM 1463 O VAL A 84 5.683 -18.403 4.649 1.00 0.00 O ATOM 1464 CB VAL A 84 4.501 -15.805 5.607 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.341 -14.598 6.520 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.844 -15.555 4.258 1.00 0.00 C ATOM 0 H VAL A 84 6.233 -14.295 4.480 1.00 0.00 H new ATOM 0 HA VAL A 84 6.400 -16.481 6.379 1.00 0.00 H new ATOM 0 HB VAL A 84 4.003 -16.653 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.282 -14.369 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.775 -14.819 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.852 -13.740 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.792 -15.312 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.342 -14.724 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.927 -16.450 3.642 1.00 0.00 H new ATOM 1476 N THR A 85 6.719 -16.967 3.260 1.00 0.00 N ATOM 1477 CA THR A 85 6.904 -17.953 2.203 1.00 0.00 C ATOM 1478 C THR A 85 8.378 -18.294 2.021 1.00 0.00 C ATOM 1479 O THR A 85 8.721 -19.323 1.437 1.00 0.00 O ATOM 1480 CB THR A 85 6.336 -17.450 0.862 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.969 -16.221 0.490 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.832 -17.244 0.955 1.00 0.00 C ATOM 0 H THR A 85 7.085 -16.040 3.042 1.00 0.00 H new ATOM 0 HA THR A 85 6.362 -18.849 2.507 1.00 0.00 H new ATOM 0 HB THR A 85 6.537 -18.205 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.343 -15.478 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.453 -16.889 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.350 -18.189 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.613 -16.507 1.727 1.00 0.00 H new ATOM 1490 N LEU A 86 9.248 -17.425 2.524 1.00 0.00 N ATOM 1491 CA LEU A 86 10.688 -17.635 2.418 1.00 0.00 C ATOM 1492 C LEU A 86 11.325 -17.747 3.800 1.00 0.00 C ATOM 1493 O LEU A 86 12.153 -18.625 4.043 1.00 0.00 O ATOM 1494 CB LEU A 86 11.334 -16.489 1.638 1.00 0.00 C ATOM 1495 CG LEU A 86 10.667 -16.120 0.312 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.332 -14.896 -0.299 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.716 -17.294 -0.656 1.00 0.00 C ATOM 0 H LEU A 86 8.982 -16.568 3.009 1.00 0.00 H new ATOM 0 HA LEU A 86 10.856 -18.570 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.346 -15.604 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.373 -16.752 1.438 1.00 0.00 H new ATOM 0 HG LEU A 86 9.622 -15.880 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.844 -14.649 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.244 -14.054 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.386 -15.107 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.237 -17.013 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.754 -17.566 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.192 -18.146 -0.222 1.00 0.00 H new ATOM 1509 N GLY A 87 10.931 -16.853 4.702 1.00 0.00 N ATOM 1510 CA GLY A 87 11.473 -16.871 6.048 1.00 0.00 C ATOM 1511 C GLY A 87 11.567 -15.484 6.652 1.00 0.00 C ATOM 1512 O GLY A 87 10.820 -15.148 7.571 1.00 0.00 O ATOM 0 H GLY A 87 10.247 -16.117 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.845 -17.498 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.464 -17.325 6.032 1.00 0.00 H new ATOM 1516 N SER A 88 12.490 -14.677 6.138 1.00 0.00 N ATOM 1517 CA SER A 88 12.684 -13.321 6.638 1.00 0.00 C ATOM 1518 C SER A 88 12.895 -12.343 5.485 1.00 0.00 C ATOM 1519 O SER A 88 13.046 -12.747 4.333 1.00 0.00 O ATOM 1520 CB SER A 88 13.880 -13.271 7.589 1.00 0.00 C ATOM 1521 OG SER A 88 13.538 -13.785 8.865 1.00 0.00 O ATOM 0 H SER A 88 13.115 -14.939 5.376 1.00 0.00 H new ATOM 0 HA SER A 88 11.786 -13.028 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.706 -13.847 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.227 -12.242 7.689 1.00 0.00 H new ATOM 0 HG SER A 88 14.320 -13.744 9.455 1.00 0.00 H new ATOM 1527 N GLY A 89 12.903 -11.053 5.807 1.00 0.00 N ATOM 1528 CA GLY A 89 13.096 -10.036 4.789 1.00 0.00 C ATOM 1529 C GLY A 89 14.374 -9.247 4.993 1.00 0.00 C ATOM 1530 O GLY A 89 15.325 -9.715 5.618 1.00 0.00 O ATOM 0 H GLY A 89 12.779 -10.694 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.117 -10.509 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.246 -9.353 4.796 1.00 0.00 H new ATOM 1534 N PRO A 90 14.406 -8.018 4.455 1.00 0.00 N ATOM 1535 CA PRO A 90 15.572 -7.135 4.569 1.00 0.00 C ATOM 1536 C PRO A 90 15.777 -6.625 5.991 1.00 0.00 C ATOM 1537 O PRO A 90 16.851 -6.132 6.334 1.00 0.00 O ATOM 1538 CB PRO A 90 15.231 -5.976 3.628 1.00 0.00 C ATOM 1539 CG PRO A 90 13.742 -5.962 3.569 1.00 0.00 C ATOM 1540 CD PRO A 90 13.308 -7.395 3.697 1.00 0.00 C ATOM 0 HA PRO A 90 16.499 -7.649 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 90 15.621 -5.031 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 90 15.665 -6.127 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.326 -5.355 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 90 13.393 -5.531 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 90 12.357 -7.481 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.177 -7.864 2.722 1.00 0.00 H new ATOM 1548 N SER A 91 14.741 -6.748 6.814 1.00 0.00 N ATOM 1549 CA SER A 91 14.807 -6.295 8.198 1.00 0.00 C ATOM 1550 C SER A 91 16.116 -6.731 8.850 1.00 0.00 C ATOM 1551 O SER A 91 16.379 -7.924 9.002 1.00 0.00 O ATOM 1552 CB SER A 91 13.621 -6.844 8.993 1.00 0.00 C ATOM 1553 OG SER A 91 13.545 -6.244 10.275 1.00 0.00 O ATOM 0 H SER A 91 13.846 -7.158 6.546 1.00 0.00 H new ATOM 0 HA SER A 91 14.765 -5.206 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.696 -6.660 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.719 -7.924 9.099 1.00 0.00 H new ATOM 0 HG SER A 91 12.778 -6.610 10.763 1.00 0.00 H new ATOM 1559 N SER A 92 16.933 -5.756 9.233 1.00 0.00 N ATOM 1560 CA SER A 92 18.217 -6.037 9.865 1.00 0.00 C ATOM 1561 C SER A 92 18.102 -5.967 11.384 1.00 0.00 C ATOM 1562 O SER A 92 17.284 -5.221 11.922 1.00 0.00 O ATOM 1563 CB SER A 92 19.277 -5.048 9.376 1.00 0.00 C ATOM 1564 OG SER A 92 19.578 -5.258 8.007 1.00 0.00 O ATOM 0 H SER A 92 16.729 -4.763 9.117 1.00 0.00 H new ATOM 0 HA SER A 92 18.517 -7.047 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.921 -4.028 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.183 -5.157 9.972 1.00 0.00 H new ATOM 0 HG SER A 92 18.763 -5.517 7.529 1.00 0.00 H new ATOM 1570 N GLY A 93 18.927 -6.751 12.071 1.00 0.00 N ATOM 1571 CA GLY A 93 18.902 -6.764 13.522 1.00 0.00 C ATOM 1572 C GLY A 93 17.503 -6.949 14.076 1.00 0.00 C ATOM 1573 O GLY A 93 17.330 -7.433 15.195 1.00 0.00 O ATOM 0 H GLY A 93 19.612 -7.377 11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.543 -7.567 13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 93 19.318 -5.829 13.898 1.00 0.00 H new TER 1577 GLY A 93