USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.0793 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 30:sc= 0.434 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -28:sc= 1.17 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 42:sc= 0.277 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.39) USER MOD Single : A 50 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-1.2) USER MOD Single : A 58 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-6.7!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 66 THR OG1 : rot -21:sc= 0.348 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.597 34.537 3.453 1.00 0.00 N ATOM 2 CA GLY A 1 8.542 33.855 2.727 1.00 0.00 C ATOM 3 C GLY A 1 8.785 32.362 2.619 1.00 0.00 C ATOM 4 O GLY A 1 9.907 31.926 2.363 1.00 0.00 O ATOM 0 H1 GLY A 1 9.385 35.554 3.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.660 34.152 4.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.503 34.394 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.589 34.030 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.460 34.280 1.727 1.00 0.00 H new ATOM 8 N SER A 2 7.730 31.577 2.817 1.00 0.00 N ATOM 9 CA SER A 2 7.835 30.124 2.746 1.00 0.00 C ATOM 10 C SER A 2 6.558 29.515 2.176 1.00 0.00 C ATOM 11 O SER A 2 5.460 30.024 2.402 1.00 0.00 O ATOM 12 CB SER A 2 8.116 29.544 4.134 1.00 0.00 C ATOM 13 OG SER A 2 9.500 29.588 4.434 1.00 0.00 O ATOM 0 H SER A 2 6.794 31.923 3.028 1.00 0.00 H new ATOM 0 HA SER A 2 8.663 29.875 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.560 30.105 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.763 28.514 4.179 1.00 0.00 H new ATOM 0 HG SER A 2 9.933 30.272 3.881 1.00 0.00 H new ATOM 19 N SER A 3 6.710 28.421 1.437 1.00 0.00 N ATOM 20 CA SER A 3 5.570 27.743 0.830 1.00 0.00 C ATOM 21 C SER A 3 4.976 26.717 1.790 1.00 0.00 C ATOM 22 O SER A 3 3.820 26.825 2.195 1.00 0.00 O ATOM 23 CB SER A 3 5.991 27.058 -0.471 1.00 0.00 C ATOM 24 OG SER A 3 6.283 28.012 -1.478 1.00 0.00 O ATOM 0 H SER A 3 7.612 27.985 1.244 1.00 0.00 H new ATOM 0 HA SER A 3 4.809 28.491 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.867 26.435 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.194 26.397 -0.812 1.00 0.00 H new ATOM 0 HG SER A 3 6.551 27.549 -2.299 1.00 0.00 H new ATOM 30 N GLY A 4 5.777 25.718 2.149 1.00 0.00 N ATOM 31 CA GLY A 4 5.314 24.685 3.058 1.00 0.00 C ATOM 32 C GLY A 4 5.255 23.320 2.402 1.00 0.00 C ATOM 33 O GLY A 4 4.320 23.021 1.659 1.00 0.00 O ATOM 0 H GLY A 4 6.738 25.606 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.977 24.641 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.324 24.949 3.430 1.00 0.00 H new ATOM 37 N SER A 5 6.257 22.490 2.675 1.00 0.00 N ATOM 38 CA SER A 5 6.318 21.151 2.102 1.00 0.00 C ATOM 39 C SER A 5 5.092 20.333 2.499 1.00 0.00 C ATOM 40 O SER A 5 4.471 20.588 3.531 1.00 0.00 O ATOM 41 CB SER A 5 7.591 20.436 2.557 1.00 0.00 C ATOM 42 OG SER A 5 7.908 19.359 1.692 1.00 0.00 O ATOM 0 H SER A 5 7.037 22.722 3.289 1.00 0.00 H new ATOM 0 HA SER A 5 6.332 21.248 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.420 21.143 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.460 20.064 3.573 1.00 0.00 H new ATOM 0 HG SER A 5 8.727 18.919 2.003 1.00 0.00 H new ATOM 48 N SER A 6 4.751 19.350 1.672 1.00 0.00 N ATOM 49 CA SER A 6 3.598 18.497 1.934 1.00 0.00 C ATOM 50 C SER A 6 3.623 17.260 1.042 1.00 0.00 C ATOM 51 O SER A 6 3.586 17.364 -0.184 1.00 0.00 O ATOM 52 CB SER A 6 2.300 19.275 1.710 1.00 0.00 C ATOM 53 OG SER A 6 2.163 19.659 0.352 1.00 0.00 O ATOM 0 H SER A 6 5.257 19.125 0.815 1.00 0.00 H new ATOM 0 HA SER A 6 3.645 18.174 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.449 18.661 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.289 20.161 2.345 1.00 0.00 H new ATOM 0 HG SER A 6 2.604 18.998 -0.221 1.00 0.00 H new ATOM 59 N GLY A 7 3.688 16.088 1.666 1.00 0.00 N ATOM 60 CA GLY A 7 3.718 14.847 0.915 1.00 0.00 C ATOM 61 C GLY A 7 2.491 13.991 1.159 1.00 0.00 C ATOM 62 O GLY A 7 2.603 12.842 1.583 1.00 0.00 O ATOM 0 H GLY A 7 3.720 15.976 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.795 15.072 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.610 14.283 1.187 1.00 0.00 H new ATOM 66 N GLU A 8 1.316 14.554 0.892 1.00 0.00 N ATOM 67 CA GLU A 8 0.063 13.834 1.089 1.00 0.00 C ATOM 68 C GLU A 8 0.222 12.358 0.734 1.00 0.00 C ATOM 69 O GLU A 8 1.071 11.975 -0.070 1.00 0.00 O ATOM 70 CB GLU A 8 -1.047 14.457 0.240 1.00 0.00 C ATOM 71 CG GLU A 8 -1.414 15.871 0.659 1.00 0.00 C ATOM 72 CD GLU A 8 -2.806 16.270 0.211 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.037 16.339 -1.015 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.664 16.514 1.084 1.00 0.00 O ATOM 0 H GLU A 8 1.206 15.505 0.539 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.208 13.909 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.732 14.467 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.935 13.828 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.348 15.953 1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.688 16.569 0.242 1.00 0.00 H new ATOM 81 N PRO A 9 -0.614 11.509 1.350 1.00 0.00 N ATOM 82 CA PRO A 9 -0.587 10.062 1.116 1.00 0.00 C ATOM 83 C PRO A 9 -1.080 9.691 -0.279 1.00 0.00 C ATOM 84 O PRO A 9 -1.824 10.446 -0.905 1.00 0.00 O ATOM 85 CB PRO A 9 -1.537 9.513 2.182 1.00 0.00 C ATOM 86 CG PRO A 9 -2.463 10.641 2.483 1.00 0.00 C ATOM 87 CD PRO A 9 -1.651 11.896 2.321 1.00 0.00 C ATOM 0 HA PRO A 9 0.424 9.658 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.080 8.642 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.993 9.199 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.316 10.638 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.860 10.561 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.258 12.723 1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.216 12.218 3.267 1.00 0.00 H new ATOM 95 N ILE A 10 -0.660 8.525 -0.759 1.00 0.00 N ATOM 96 CA ILE A 10 -1.061 8.054 -2.079 1.00 0.00 C ATOM 97 C ILE A 10 -2.043 6.893 -1.973 1.00 0.00 C ATOM 98 O ILE A 10 -1.720 5.843 -1.419 1.00 0.00 O ATOM 99 CB ILE A 10 0.156 7.609 -2.910 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.186 8.737 -2.993 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.282 7.182 -4.303 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.530 8.292 -3.526 1.00 0.00 C ATOM 0 H ILE A 10 -0.042 7.890 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.546 8.892 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 10 0.620 6.755 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.795 9.528 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.322 9.167 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.589 6.870 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.982 6.350 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.767 8.019 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.209 9.144 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.943 7.522 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.407 7.889 -4.531 1.00 0.00 H new ATOM 114 N GLU A 11 -3.243 7.089 -2.511 1.00 0.00 N ATOM 115 CA GLU A 11 -4.273 6.057 -2.477 1.00 0.00 C ATOM 116 C GLU A 11 -3.988 4.971 -3.511 1.00 0.00 C ATOM 117 O GLU A 11 -4.031 5.219 -4.716 1.00 0.00 O ATOM 118 CB GLU A 11 -5.651 6.671 -2.733 1.00 0.00 C ATOM 119 CG GLU A 11 -6.252 7.346 -1.512 1.00 0.00 C ATOM 120 CD GLU A 11 -7.320 8.360 -1.873 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.980 9.379 -2.509 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.496 8.134 -1.519 1.00 0.00 O ATOM 0 H GLU A 11 -3.526 7.952 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.264 5.603 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.570 7.401 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.329 5.890 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.682 6.588 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.461 7.842 -0.949 1.00 0.00 H new ATOM 129 N ALA A 12 -3.696 3.767 -3.031 1.00 0.00 N ATOM 130 CA ALA A 12 -3.405 2.643 -3.912 1.00 0.00 C ATOM 131 C ALA A 12 -4.481 1.568 -3.804 1.00 0.00 C ATOM 132 O ALA A 12 -5.270 1.559 -2.858 1.00 0.00 O ATOM 133 CB ALA A 12 -2.038 2.058 -3.588 1.00 0.00 C ATOM 0 H ALA A 12 -3.655 3.545 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.397 3.011 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.834 1.219 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.273 2.823 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.026 1.712 -2.554 1.00 0.00 H new ATOM 139 N ILE A 13 -4.509 0.664 -4.778 1.00 0.00 N ATOM 140 CA ILE A 13 -5.488 -0.415 -4.791 1.00 0.00 C ATOM 141 C ILE A 13 -4.805 -1.778 -4.756 1.00 0.00 C ATOM 142 O ILE A 13 -3.769 -1.980 -5.387 1.00 0.00 O ATOM 143 CB ILE A 13 -6.393 -0.339 -6.035 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.123 1.005 -6.080 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.389 -1.489 -6.036 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.048 1.230 -4.904 1.00 0.00 C ATOM 0 H ILE A 13 -3.864 0.658 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.101 -0.295 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.770 -0.423 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.387 1.808 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.700 1.065 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.022 -1.422 -6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.851 -2.437 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.010 -1.434 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.531 2.202 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.807 0.448 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.473 1.203 -3.978 1.00 0.00 H new ATOM 158 N ALA A 14 -5.395 -2.710 -4.014 1.00 0.00 N ATOM 159 CA ALA A 14 -4.846 -4.055 -3.899 1.00 0.00 C ATOM 160 C ALA A 14 -5.135 -4.875 -5.153 1.00 0.00 C ATOM 161 O ALA A 14 -6.292 -5.118 -5.495 1.00 0.00 O ATOM 162 CB ALA A 14 -5.409 -4.752 -2.670 1.00 0.00 C ATOM 0 H ALA A 14 -6.253 -2.558 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.765 -3.971 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.990 -5.756 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.147 -4.184 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.494 -4.817 -2.753 1.00 0.00 H new ATOM 168 N LYS A 15 -4.075 -5.297 -5.835 1.00 0.00 N ATOM 169 CA LYS A 15 -4.214 -6.090 -7.050 1.00 0.00 C ATOM 170 C LYS A 15 -4.699 -7.500 -6.728 1.00 0.00 C ATOM 171 O LYS A 15 -5.554 -8.047 -7.424 1.00 0.00 O ATOM 172 CB LYS A 15 -2.879 -6.156 -7.796 1.00 0.00 C ATOM 173 CG LYS A 15 -2.707 -5.061 -8.833 1.00 0.00 C ATOM 174 CD LYS A 15 -1.833 -5.520 -9.989 1.00 0.00 C ATOM 175 CE LYS A 15 -0.355 -5.332 -9.679 1.00 0.00 C ATOM 176 NZ LYS A 15 0.506 -5.727 -10.827 1.00 0.00 N ATOM 0 H LYS A 15 -3.110 -5.103 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.955 -5.607 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.065 -6.092 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.794 -7.126 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.684 -4.760 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.262 -4.183 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.031 -6.571 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.092 -4.959 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.167 -4.289 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.089 -5.925 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.505 -5.584 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.345 -6.729 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.270 -5.144 -11.655 1.00 0.00 H new ATOM 190 N PHE A 16 -4.148 -8.083 -5.668 1.00 0.00 N ATOM 191 CA PHE A 16 -4.525 -9.429 -5.254 1.00 0.00 C ATOM 192 C PHE A 16 -4.609 -9.526 -3.733 1.00 0.00 C ATOM 193 O PHE A 16 -3.938 -8.784 -3.015 1.00 0.00 O ATOM 194 CB PHE A 16 -3.518 -10.450 -5.787 1.00 0.00 C ATOM 195 CG PHE A 16 -2.950 -10.088 -7.129 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.578 -10.496 -8.295 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.788 -9.339 -7.225 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.057 -10.164 -9.531 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.263 -9.004 -8.459 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.899 -9.416 -9.614 1.00 0.00 C ATOM 0 H PHE A 16 -3.439 -7.644 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.508 -9.649 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.702 -10.551 -5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.003 -11.424 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.485 -11.080 -8.237 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.287 -9.013 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.555 -10.489 -10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.356 -8.421 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.492 -9.154 -10.579 1.00 0.00 H new ATOM 210 N ASP A 17 -5.436 -10.446 -3.250 1.00 0.00 N ATOM 211 CA ASP A 17 -5.608 -10.642 -1.815 1.00 0.00 C ATOM 212 C ASP A 17 -4.291 -11.044 -1.160 1.00 0.00 C ATOM 213 O ASP A 17 -3.806 -12.159 -1.352 1.00 0.00 O ATOM 214 CB ASP A 17 -6.672 -11.708 -1.549 1.00 0.00 C ATOM 215 CG ASP A 17 -6.324 -13.043 -2.179 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.635 -13.045 -3.220 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.742 -14.085 -1.631 1.00 0.00 O ATOM 0 H ASP A 17 -5.998 -11.068 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.935 -9.697 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.792 -11.837 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.631 -11.365 -1.938 1.00 0.00 H new ATOM 222 N TYR A 18 -3.717 -10.129 -0.387 1.00 0.00 N ATOM 223 CA TYR A 18 -2.454 -10.387 0.294 1.00 0.00 C ATOM 224 C TYR A 18 -2.657 -10.473 1.804 1.00 0.00 C ATOM 225 O TYR A 18 -3.531 -9.812 2.363 1.00 0.00 O ATOM 226 CB TYR A 18 -1.440 -9.290 -0.034 1.00 0.00 C ATOM 227 CG TYR A 18 -0.039 -9.599 0.441 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.344 -9.345 1.753 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.904 -10.146 -0.421 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.623 -9.625 2.191 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.185 -10.430 0.008 1.00 0.00 C ATOM 232 CZ TYR A 18 2.541 -10.168 1.315 1.00 0.00 C ATOM 233 OH TYR A 18 3.816 -10.449 1.748 1.00 0.00 O ATOM 0 H TYR A 18 -4.106 -9.202 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.070 -11.344 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.423 -9.134 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.770 -8.355 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.372 -8.921 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.630 -10.353 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.904 -9.420 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.905 -10.855 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 18 4.054 -9.842 2.480 1.00 0.00 H new ATOM 243 N VAL A 19 -1.840 -11.293 2.458 1.00 0.00 N ATOM 244 CA VAL A 19 -1.927 -11.466 3.903 1.00 0.00 C ATOM 245 C VAL A 19 -0.562 -11.293 4.560 1.00 0.00 C ATOM 246 O VAL A 19 0.337 -12.111 4.372 1.00 0.00 O ATOM 247 CB VAL A 19 -2.490 -12.852 4.270 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.622 -13.954 3.680 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.599 -12.999 5.780 1.00 0.00 C ATOM 0 H VAL A 19 -1.111 -11.848 2.010 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.605 -10.698 4.274 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.490 -12.943 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.035 -14.926 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.600 -13.858 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.609 -13.869 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.998 -13.984 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.612 -12.888 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.265 -12.231 6.173 1.00 0.00 H new ATOM 259 N GLY A 20 -0.415 -10.222 5.334 1.00 0.00 N ATOM 260 CA GLY A 20 0.843 -9.960 6.008 1.00 0.00 C ATOM 261 C GLY A 20 1.370 -11.176 6.743 1.00 0.00 C ATOM 262 O GLY A 20 0.864 -11.535 7.807 1.00 0.00 O ATOM 0 H GLY A 20 -1.145 -9.531 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.582 -9.632 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.709 -9.141 6.715 1.00 0.00 H new ATOM 266 N ARG A 21 2.388 -11.814 6.176 1.00 0.00 N ATOM 267 CA ARG A 21 2.982 -12.999 6.783 1.00 0.00 C ATOM 268 C ARG A 21 3.448 -12.705 8.206 1.00 0.00 C ATOM 269 O ARG A 21 3.279 -13.525 9.109 1.00 0.00 O ATOM 270 CB ARG A 21 4.159 -13.495 5.941 1.00 0.00 C ATOM 271 CG ARG A 21 3.767 -14.519 4.889 1.00 0.00 C ATOM 272 CD ARG A 21 3.378 -15.846 5.521 1.00 0.00 C ATOM 273 NE ARG A 21 4.486 -16.446 6.260 1.00 0.00 N ATOM 274 CZ ARG A 21 4.380 -17.571 6.958 1.00 0.00 C ATOM 275 NH1 ARG A 21 3.223 -18.215 7.011 1.00 0.00 N ATOM 276 NH2 ARG A 21 5.434 -18.054 7.604 1.00 0.00 N ATOM 0 H ARG A 21 2.819 -11.530 5.296 1.00 0.00 H new ATOM 0 HA ARG A 21 2.220 -13.777 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.627 -12.643 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.908 -13.933 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.933 -14.137 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.599 -14.672 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.534 -15.694 6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.046 -16.534 4.744 1.00 0.00 H new ATOM 0 HE ARG A 21 5.391 -15.975 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.411 -17.847 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.144 -19.079 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.326 -17.561 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.352 -18.918 8.140 1.00 0.00 H new ATOM 290 N THR A 22 4.038 -11.529 8.399 1.00 0.00 N ATOM 291 CA THR A 22 4.530 -11.127 9.710 1.00 0.00 C ATOM 292 C THR A 22 3.800 -9.888 10.216 1.00 0.00 C ATOM 293 O THR A 22 3.350 -9.057 9.428 1.00 0.00 O ATOM 294 CB THR A 22 6.043 -10.840 9.679 1.00 0.00 C ATOM 295 OG1 THR A 22 6.323 -9.787 8.750 1.00 0.00 O ATOM 296 CG2 THR A 22 6.822 -12.087 9.288 1.00 0.00 C ATOM 0 H THR A 22 4.186 -10.838 7.663 1.00 0.00 H new ATOM 0 HA THR A 22 4.339 -11.960 10.387 1.00 0.00 H new ATOM 0 HB THR A 22 6.353 -10.535 10.678 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.287 -9.609 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.888 -11.860 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.630 -12.878 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.507 -12.417 8.298 1.00 0.00 H new ATOM 304 N ALA A 23 3.687 -9.770 11.535 1.00 0.00 N ATOM 305 CA ALA A 23 3.014 -8.631 12.145 1.00 0.00 C ATOM 306 C ALA A 23 3.318 -7.343 11.387 1.00 0.00 C ATOM 307 O ALA A 23 2.422 -6.541 11.122 1.00 0.00 O ATOM 308 CB ALA A 23 3.422 -8.496 13.604 1.00 0.00 C ATOM 0 H ALA A 23 4.053 -10.450 12.201 1.00 0.00 H new ATOM 0 HA ALA A 23 1.939 -8.806 12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.911 -7.641 14.047 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.147 -9.402 14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.500 -8.348 13.668 1.00 0.00 H new ATOM 314 N ARG A 24 4.587 -7.151 11.042 1.00 0.00 N ATOM 315 CA ARG A 24 5.009 -5.959 10.316 1.00 0.00 C ATOM 316 C ARG A 24 4.166 -5.760 9.060 1.00 0.00 C ATOM 317 O ARG A 24 3.598 -4.689 8.846 1.00 0.00 O ATOM 318 CB ARG A 24 6.488 -6.063 9.939 1.00 0.00 C ATOM 319 CG ARG A 24 7.432 -5.643 11.055 1.00 0.00 C ATOM 320 CD ARG A 24 7.554 -4.130 11.141 1.00 0.00 C ATOM 321 NE ARG A 24 8.176 -3.702 12.391 1.00 0.00 N ATOM 322 CZ ARG A 24 7.550 -3.705 13.562 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.291 -4.112 13.643 1.00 0.00 N ATOM 324 NH2 ARG A 24 8.183 -3.300 14.656 1.00 0.00 N ATOM 0 H ARG A 24 5.340 -7.805 11.253 1.00 0.00 H new ATOM 0 HA ARG A 24 4.867 -5.097 10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.710 -7.091 9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.676 -5.442 9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.070 -6.035 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.416 -6.079 10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.143 -3.765 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.564 -3.681 11.056 1.00 0.00 H new ATOM 0 HE ARG A 24 9.145 -3.383 12.363 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.801 -4.424 12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.812 -4.113 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.152 -2.986 14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.701 -3.303 15.555 1.00 0.00 H new ATOM 338 N GLU A 25 4.090 -6.799 8.234 1.00 0.00 N ATOM 339 CA GLU A 25 3.317 -6.736 6.999 1.00 0.00 C ATOM 340 C GLU A 25 1.832 -6.552 7.295 1.00 0.00 C ATOM 341 O GLU A 25 1.385 -6.738 8.428 1.00 0.00 O ATOM 342 CB GLU A 25 3.530 -8.007 6.173 1.00 0.00 C ATOM 343 CG GLU A 25 4.932 -8.133 5.600 1.00 0.00 C ATOM 344 CD GLU A 25 5.189 -9.492 4.980 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.400 -9.903 4.103 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.178 -10.146 5.372 1.00 0.00 O ATOM 0 H GLU A 25 4.553 -7.693 8.397 1.00 0.00 H new ATOM 0 HA GLU A 25 3.665 -5.876 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.323 -8.875 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.810 -8.024 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.083 -7.360 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.661 -7.955 6.391 1.00 0.00 H new ATOM 353 N LEU A 26 1.071 -6.185 6.270 1.00 0.00 N ATOM 354 CA LEU A 26 -0.365 -5.974 6.419 1.00 0.00 C ATOM 355 C LEU A 26 -1.152 -6.997 5.606 1.00 0.00 C ATOM 356 O LEU A 26 -0.683 -7.478 4.575 1.00 0.00 O ATOM 357 CB LEU A 26 -0.741 -4.558 5.980 1.00 0.00 C ATOM 358 CG LEU A 26 -0.029 -3.418 6.710 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.314 -2.088 6.030 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.454 -3.373 8.171 1.00 0.00 C ATOM 0 H LEU A 26 1.424 -6.027 5.326 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.619 -6.100 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.537 -4.463 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.816 -4.432 6.111 1.00 0.00 H new ATOM 0 HG LEU A 26 1.045 -3.601 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.201 -1.289 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.040 -2.123 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.387 -1.897 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.062 -2.556 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.531 -3.214 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.198 -4.316 8.654 1.00 0.00 H new ATOM 372 N SER A 27 -2.352 -7.322 6.076 1.00 0.00 N ATOM 373 CA SER A 27 -3.205 -8.288 5.394 1.00 0.00 C ATOM 374 C SER A 27 -4.433 -7.605 4.800 1.00 0.00 C ATOM 375 O SER A 27 -5.255 -7.042 5.523 1.00 0.00 O ATOM 376 CB SER A 27 -3.638 -9.390 6.362 1.00 0.00 C ATOM 377 OG SER A 27 -4.234 -8.842 7.525 1.00 0.00 O ATOM 0 H SER A 27 -2.756 -6.930 6.927 1.00 0.00 H new ATOM 0 HA SER A 27 -2.630 -8.733 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.345 -10.056 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.774 -9.993 6.642 1.00 0.00 H new ATOM 0 HG SER A 27 -4.825 -8.102 7.272 1.00 0.00 H new ATOM 383 N PHE A 28 -4.550 -7.658 3.477 1.00 0.00 N ATOM 384 CA PHE A 28 -5.676 -7.044 2.784 1.00 0.00 C ATOM 385 C PHE A 28 -6.251 -7.991 1.735 1.00 0.00 C ATOM 386 O PHE A 28 -5.724 -9.081 1.510 1.00 0.00 O ATOM 387 CB PHE A 28 -5.243 -5.734 2.122 1.00 0.00 C ATOM 388 CG PHE A 28 -3.945 -5.841 1.374 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.909 -6.368 0.093 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.760 -5.416 1.953 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.716 -6.468 -0.598 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.564 -5.513 1.267 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.542 -6.040 -0.010 1.00 0.00 C ATOM 0 H PHE A 28 -3.879 -8.120 2.864 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.451 -6.832 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.024 -5.408 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.150 -4.963 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.824 -6.705 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.771 -5.004 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.702 -6.880 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.647 -5.177 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.608 -6.117 -0.547 1.00 0.00 H new ATOM 403 N LYS A 29 -7.336 -7.567 1.095 1.00 0.00 N ATOM 404 CA LYS A 29 -7.984 -8.375 0.069 1.00 0.00 C ATOM 405 C LYS A 29 -8.073 -7.612 -1.249 1.00 0.00 C ATOM 406 O LYS A 29 -8.213 -6.389 -1.262 1.00 0.00 O ATOM 407 CB LYS A 29 -9.384 -8.790 0.526 1.00 0.00 C ATOM 408 CG LYS A 29 -9.381 -9.726 1.722 1.00 0.00 C ATOM 409 CD LYS A 29 -8.771 -11.073 1.375 1.00 0.00 C ATOM 410 CE LYS A 29 -9.006 -12.093 2.479 1.00 0.00 C ATOM 411 NZ LYS A 29 -8.098 -11.874 3.638 1.00 0.00 N ATOM 0 H LYS A 29 -7.785 -6.668 1.269 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.380 -9.269 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.955 -7.896 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.899 -9.275 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.821 -9.272 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.402 -9.868 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.201 -11.439 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.700 -10.956 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.042 -12.035 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.855 -13.097 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.289 -12.589 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.110 -11.955 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.260 -10.925 4.031 1.00 0.00 H new ATOM 425 N LYS A 30 -7.992 -8.341 -2.357 1.00 0.00 N ATOM 426 CA LYS A 30 -8.066 -7.734 -3.680 1.00 0.00 C ATOM 427 C LYS A 30 -9.172 -6.685 -3.736 1.00 0.00 C ATOM 428 O LYS A 30 -10.295 -6.929 -3.297 1.00 0.00 O ATOM 429 CB LYS A 30 -8.312 -8.808 -4.743 1.00 0.00 C ATOM 430 CG LYS A 30 -8.374 -8.259 -6.158 1.00 0.00 C ATOM 431 CD LYS A 30 -8.541 -9.371 -7.180 1.00 0.00 C ATOM 432 CE LYS A 30 -8.962 -8.824 -8.535 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.467 -9.898 -9.435 1.00 0.00 N ATOM 0 H LYS A 30 -7.875 -9.354 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.114 -7.243 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.518 -9.553 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.247 -9.321 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.205 -7.559 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.463 -7.700 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.603 -9.917 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.287 -10.083 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.738 -8.071 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.114 -8.326 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.744 -9.484 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.718 -10.604 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.292 -10.357 -8.999 1.00 0.00 H new ATOM 447 N GLY A 31 -8.846 -5.517 -4.282 1.00 0.00 N ATOM 448 CA GLY A 31 -9.824 -4.449 -4.387 1.00 0.00 C ATOM 449 C GLY A 31 -9.826 -3.545 -3.171 1.00 0.00 C ATOM 450 O GLY A 31 -10.173 -2.368 -3.265 1.00 0.00 O ATOM 0 H GLY A 31 -7.923 -5.291 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.615 -3.855 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.816 -4.881 -4.517 1.00 0.00 H new ATOM 454 N ALA A 32 -9.441 -4.096 -2.025 1.00 0.00 N ATOM 455 CA ALA A 32 -9.400 -3.330 -0.785 1.00 0.00 C ATOM 456 C ALA A 32 -8.565 -2.064 -0.948 1.00 0.00 C ATOM 457 O ALA A 32 -7.451 -2.107 -1.468 1.00 0.00 O ATOM 458 CB ALA A 32 -8.848 -4.186 0.346 1.00 0.00 C ATOM 0 H ALA A 32 -9.153 -5.070 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.419 -3.032 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.823 -3.602 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.487 -5.058 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.839 -4.512 0.096 1.00 0.00 H new ATOM 464 N SER A 33 -9.113 -0.938 -0.502 1.00 0.00 N ATOM 465 CA SER A 33 -8.420 0.341 -0.603 1.00 0.00 C ATOM 466 C SER A 33 -7.323 0.450 0.452 1.00 0.00 C ATOM 467 O SER A 33 -7.555 0.194 1.634 1.00 0.00 O ATOM 468 CB SER A 33 -9.411 1.495 -0.445 1.00 0.00 C ATOM 469 OG SER A 33 -8.808 2.734 -0.776 1.00 0.00 O ATOM 0 H SER A 33 -10.034 -0.886 -0.067 1.00 0.00 H new ATOM 0 HA SER A 33 -7.959 0.399 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.276 1.326 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.776 1.527 0.582 1.00 0.00 H new ATOM 0 HG SER A 33 -9.463 3.455 -0.669 1.00 0.00 H new ATOM 475 N LEU A 34 -6.128 0.830 0.016 1.00 0.00 N ATOM 476 CA LEU A 34 -4.993 0.974 0.921 1.00 0.00 C ATOM 477 C LEU A 34 -4.326 2.334 0.747 1.00 0.00 C ATOM 478 O LEU A 34 -4.181 2.828 -0.372 1.00 0.00 O ATOM 479 CB LEU A 34 -3.975 -0.141 0.675 1.00 0.00 C ATOM 480 CG LEU A 34 -4.536 -1.563 0.620 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.696 -2.434 -0.300 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.599 -2.165 2.016 1.00 0.00 C ATOM 0 H LEU A 34 -5.919 1.044 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.364 0.901 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.463 0.063 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.223 -0.099 1.463 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.548 -1.518 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.111 -3.442 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.702 -2.013 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.672 -2.473 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.000 -3.177 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.597 -2.196 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.245 -1.554 2.647 1.00 0.00 H new ATOM 494 N LEU A 35 -3.919 2.934 1.860 1.00 0.00 N ATOM 495 CA LEU A 35 -3.264 4.238 1.831 1.00 0.00 C ATOM 496 C LEU A 35 -1.748 4.088 1.911 1.00 0.00 C ATOM 497 O LEU A 35 -1.237 3.196 2.590 1.00 0.00 O ATOM 498 CB LEU A 35 -3.764 5.107 2.986 1.00 0.00 C ATOM 499 CG LEU A 35 -3.792 6.614 2.728 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.997 6.988 1.879 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.805 7.380 4.043 1.00 0.00 C ATOM 0 H LEU A 35 -4.031 2.539 2.794 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.513 4.722 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.772 4.784 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.134 4.919 3.855 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.890 6.886 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.000 8.064 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.944 6.467 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.911 6.701 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.825 8.451 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.689 7.103 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.910 7.136 4.615 1.00 0.00 H new ATOM 513 N LEU A 36 -1.034 4.966 1.217 1.00 0.00 N ATOM 514 CA LEU A 36 0.424 4.933 1.211 1.00 0.00 C ATOM 515 C LEU A 36 1.000 6.225 1.783 1.00 0.00 C ATOM 516 O LEU A 36 0.508 7.317 1.496 1.00 0.00 O ATOM 517 CB LEU A 36 0.944 4.716 -0.211 1.00 0.00 C ATOM 518 CG LEU A 36 0.424 3.472 -0.933 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.159 3.272 -2.249 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.567 2.243 -0.047 1.00 0.00 C ATOM 0 H LEU A 36 -1.441 5.710 0.651 1.00 0.00 H new ATOM 0 HA LEU A 36 0.746 4.103 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.688 5.592 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.032 4.662 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.634 3.617 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.775 2.382 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.005 4.142 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.225 3.149 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.192 1.367 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.618 2.094 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.006 2.386 0.869 1.00 0.00 H new ATOM 532 N TYR A 37 2.046 6.093 2.591 1.00 0.00 N ATOM 533 CA TYR A 37 2.689 7.249 3.204 1.00 0.00 C ATOM 534 C TYR A 37 4.094 7.451 2.644 1.00 0.00 C ATOM 535 O TYR A 37 4.463 8.557 2.250 1.00 0.00 O ATOM 536 CB TYR A 37 2.753 7.079 4.723 1.00 0.00 C ATOM 537 CG TYR A 37 1.396 6.947 5.375 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.334 7.754 4.984 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.174 6.016 6.383 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.908 7.637 5.577 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.065 5.892 6.981 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.103 6.705 6.575 1.00 0.00 C ATOM 543 OH TYR A 37 -2.338 6.585 7.169 1.00 0.00 O ATOM 0 H TYR A 37 2.467 5.197 2.837 1.00 0.00 H new ATOM 0 HA TYR A 37 2.093 8.131 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.346 6.195 4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.272 7.935 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.482 8.485 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.984 5.378 6.704 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.722 8.272 5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.220 5.163 7.762 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.883 7.370 6.952 1.00 0.00 H new ATOM 553 N GLN A 38 4.872 6.374 2.612 1.00 0.00 N ATOM 554 CA GLN A 38 6.236 6.433 2.101 1.00 0.00 C ATOM 555 C GLN A 38 6.678 5.072 1.572 1.00 0.00 C ATOM 556 O GLN A 38 6.217 4.032 2.045 1.00 0.00 O ATOM 557 CB GLN A 38 7.194 6.903 3.196 1.00 0.00 C ATOM 558 CG GLN A 38 7.218 8.413 3.376 1.00 0.00 C ATOM 559 CD GLN A 38 8.541 8.914 3.922 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.150 8.281 4.785 1.00 0.00 O ATOM 561 NE2 GLN A 38 8.993 10.058 3.420 1.00 0.00 N ATOM 0 H GLN A 38 4.581 5.451 2.934 1.00 0.00 H new ATOM 0 HA GLN A 38 6.258 7.148 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.910 6.437 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.200 6.557 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.020 8.893 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.415 8.707 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.455 10.549 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.878 10.445 3.749 1.00 0.00 H new ATOM 570 N ARG A 39 7.573 5.086 0.590 1.00 0.00 N ATOM 571 CA ARG A 39 8.076 3.853 -0.004 1.00 0.00 C ATOM 572 C ARG A 39 9.215 3.274 0.829 1.00 0.00 C ATOM 573 O ARG A 39 10.313 3.828 0.868 1.00 0.00 O ATOM 574 CB ARG A 39 8.554 4.109 -1.434 1.00 0.00 C ATOM 575 CG ARG A 39 9.103 2.870 -2.123 1.00 0.00 C ATOM 576 CD ARG A 39 8.011 2.116 -2.865 1.00 0.00 C ATOM 577 NE ARG A 39 8.551 1.291 -3.943 1.00 0.00 N ATOM 578 CZ ARG A 39 8.943 1.778 -5.115 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.856 3.078 -5.359 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.424 0.963 -6.046 1.00 0.00 N ATOM 0 H ARG A 39 7.965 5.938 0.189 1.00 0.00 H new ATOM 0 HA ARG A 39 7.261 3.130 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.724 4.503 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.326 4.878 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.887 3.159 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.562 2.214 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.466 1.485 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.295 2.827 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 39 8.631 0.286 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.487 3.707 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.158 3.449 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.493 -0.038 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.725 1.338 -6.946 1.00 0.00 H new ATOM 594 N ALA A 40 8.945 2.156 1.496 1.00 0.00 N ATOM 595 CA ALA A 40 9.947 1.501 2.327 1.00 0.00 C ATOM 596 C ALA A 40 11.070 0.917 1.476 1.00 0.00 C ATOM 597 O ALA A 40 12.245 1.021 1.826 1.00 0.00 O ATOM 598 CB ALA A 40 9.302 0.413 3.173 1.00 0.00 C ATOM 0 H ALA A 40 8.040 1.685 1.477 1.00 0.00 H new ATOM 0 HA ALA A 40 10.381 2.251 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.062 -0.068 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.541 0.855 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.840 -0.329 2.521 1.00 0.00 H new ATOM 604 N SER A 41 10.699 0.302 0.357 1.00 0.00 N ATOM 605 CA SER A 41 11.675 -0.303 -0.542 1.00 0.00 C ATOM 606 C SER A 41 11.087 -0.487 -1.937 1.00 0.00 C ATOM 607 O SER A 41 9.882 -0.334 -2.140 1.00 0.00 O ATOM 608 CB SER A 41 12.141 -1.651 0.010 1.00 0.00 C ATOM 609 OG SER A 41 13.430 -1.984 -0.477 1.00 0.00 O ATOM 0 H SER A 41 9.730 0.210 0.052 1.00 0.00 H new ATOM 0 HA SER A 41 12.531 0.367 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.159 -1.615 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.430 -2.428 -0.272 1.00 0.00 H new ATOM 0 HG SER A 41 13.706 -2.849 -0.108 1.00 0.00 H new ATOM 615 N ASP A 42 11.946 -0.817 -2.896 1.00 0.00 N ATOM 616 CA ASP A 42 11.513 -1.024 -4.273 1.00 0.00 C ATOM 617 C ASP A 42 10.438 -2.104 -4.348 1.00 0.00 C ATOM 618 O ASP A 42 9.716 -2.207 -5.340 1.00 0.00 O ATOM 619 CB ASP A 42 12.703 -1.410 -5.152 1.00 0.00 C ATOM 620 CG ASP A 42 13.559 -0.215 -5.524 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.000 0.509 -4.606 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.789 -0.004 -6.733 1.00 0.00 O ATOM 0 H ASP A 42 12.946 -0.947 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 42 11.089 -0.089 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.316 -2.143 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.339 -1.890 -6.061 1.00 0.00 H new ATOM 627 N ASP A 43 10.339 -2.907 -3.294 1.00 0.00 N ATOM 628 CA ASP A 43 9.352 -3.980 -3.240 1.00 0.00 C ATOM 629 C ASP A 43 8.559 -3.924 -1.939 1.00 0.00 C ATOM 630 O ASP A 43 8.034 -4.937 -1.476 1.00 0.00 O ATOM 631 CB ASP A 43 10.039 -5.340 -3.376 1.00 0.00 C ATOM 632 CG ASP A 43 9.133 -6.387 -3.993 1.00 0.00 C ATOM 633 OD1 ASP A 43 8.412 -6.054 -4.958 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.144 -7.539 -3.512 1.00 0.00 O ATOM 0 H ASP A 43 10.930 -2.835 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 43 8.660 -3.846 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.934 -5.232 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.365 -5.679 -2.393 1.00 0.00 H new ATOM 639 N TRP A 44 8.477 -2.735 -1.353 1.00 0.00 N ATOM 640 CA TRP A 44 7.748 -2.547 -0.104 1.00 0.00 C ATOM 641 C TRP A 44 7.212 -1.124 0.006 1.00 0.00 C ATOM 642 O TRP A 44 7.688 -0.218 -0.679 1.00 0.00 O ATOM 643 CB TRP A 44 8.653 -2.858 1.090 1.00 0.00 C ATOM 644 CG TRP A 44 8.949 -4.319 1.246 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.167 -4.925 1.135 1.00 0.00 C ATOM 646 CD2 TRP A 44 8.008 -5.357 1.540 1.00 0.00 C ATOM 647 NE1 TRP A 44 10.041 -6.277 1.342 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.726 -6.568 1.593 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.629 -5.382 1.766 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.110 -7.787 1.861 1.00 0.00 C ATOM 651 CZ3 TRP A 44 6.019 -6.593 2.031 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.759 -7.782 2.078 1.00 0.00 C ATOM 0 H TRP A 44 8.906 -1.887 -1.723 1.00 0.00 H new ATOM 0 HA TRP A 44 6.902 -3.234 -0.099 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.591 -2.315 0.977 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.180 -2.491 2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.094 -4.416 0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.803 -6.955 1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.050 -4.471 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.678 -8.705 1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.954 -6.624 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.253 -8.712 2.290 1.00 0.00 H new ATOM 663 N TRP A 45 6.222 -0.934 0.870 1.00 0.00 N ATOM 664 CA TRP A 45 5.622 0.381 1.068 1.00 0.00 C ATOM 665 C TRP A 45 5.265 0.600 2.534 1.00 0.00 C ATOM 666 O TRP A 45 5.164 -0.352 3.306 1.00 0.00 O ATOM 667 CB TRP A 45 4.374 0.531 0.197 1.00 0.00 C ATOM 668 CG TRP A 45 4.680 0.922 -1.217 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.036 0.089 -2.238 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.657 2.245 -1.764 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.237 0.814 -3.388 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.010 2.139 -3.124 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.372 3.508 -1.239 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.086 3.249 -3.962 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.447 4.608 -2.072 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.801 4.473 -3.421 1.00 0.00 C ATOM 0 H TRP A 45 5.817 -1.673 1.445 1.00 0.00 H new ATOM 0 HA TRP A 45 6.352 1.135 0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.826 -0.411 0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.718 1.281 0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.144 -0.982 -2.154 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.511 0.428 -4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.098 3.623 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.360 3.147 -5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.229 5.589 -1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.850 5.352 -4.046 1.00 0.00 H new ATOM 687 N GLU A 46 5.074 1.861 2.910 1.00 0.00 N ATOM 688 CA GLU A 46 4.727 2.204 4.284 1.00 0.00 C ATOM 689 C GLU A 46 3.415 2.981 4.337 1.00 0.00 C ATOM 690 O GLU A 46 3.379 4.180 4.063 1.00 0.00 O ATOM 691 CB GLU A 46 5.846 3.027 4.925 1.00 0.00 C ATOM 692 CG GLU A 46 7.198 2.333 4.911 1.00 0.00 C ATOM 693 CD GLU A 46 8.079 2.748 6.073 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.977 2.123 7.149 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.872 3.698 5.905 1.00 0.00 O ATOM 0 H GLU A 46 5.154 2.661 2.283 1.00 0.00 H new ATOM 0 HA GLU A 46 4.602 1.276 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.931 3.979 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.574 3.253 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.048 1.254 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.708 2.558 3.975 1.00 0.00 H new ATOM 702 N GLY A 47 2.337 2.287 4.691 1.00 0.00 N ATOM 703 CA GLY A 47 1.037 2.927 4.773 1.00 0.00 C ATOM 704 C GLY A 47 0.221 2.433 5.951 1.00 0.00 C ATOM 705 O GLY A 47 0.775 2.015 6.967 1.00 0.00 O ATOM 0 H GLY A 47 2.341 1.294 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.171 4.006 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.486 2.743 3.851 1.00 0.00 H new ATOM 709 N ARG A 48 -1.100 2.481 5.815 1.00 0.00 N ATOM 710 CA ARG A 48 -1.994 2.037 6.877 1.00 0.00 C ATOM 711 C ARG A 48 -3.187 1.278 6.303 1.00 0.00 C ATOM 712 O ARG A 48 -3.680 1.602 5.221 1.00 0.00 O ATOM 713 CB ARG A 48 -2.484 3.234 7.694 1.00 0.00 C ATOM 714 CG ARG A 48 -3.539 2.876 8.728 1.00 0.00 C ATOM 715 CD ARG A 48 -4.319 4.102 9.176 1.00 0.00 C ATOM 716 NE ARG A 48 -3.478 5.049 9.904 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.209 4.946 11.201 1.00 0.00 C ATOM 718 NH1 ARG A 48 -3.710 3.943 11.908 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.435 5.847 11.792 1.00 0.00 N ATOM 0 H ARG A 48 -1.575 2.823 4.980 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.436 1.364 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.633 3.691 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.892 3.983 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.225 2.140 8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.061 2.412 9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.751 4.595 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.149 3.792 9.811 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.075 5.832 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.304 3.247 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.502 3.867 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.046 6.619 11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.229 5.768 12.788 1.00 0.00 H new ATOM 733 N HIS A 49 -3.646 0.267 7.033 1.00 0.00 N ATOM 734 CA HIS A 49 -4.781 -0.539 6.596 1.00 0.00 C ATOM 735 C HIS A 49 -5.729 -0.817 7.758 1.00 0.00 C ATOM 736 O HIS A 49 -5.304 -1.243 8.831 1.00 0.00 O ATOM 737 CB HIS A 49 -4.295 -1.857 5.992 1.00 0.00 C ATOM 738 CG HIS A 49 -5.406 -2.791 5.623 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.522 -4.064 6.140 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.455 -2.631 4.782 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.594 -4.647 5.632 1.00 0.00 C ATOM 742 NE2 HIS A 49 -7.178 -3.798 4.806 1.00 0.00 N ATOM 0 H HIS A 49 -3.250 -0.014 7.930 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.323 0.023 5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.701 -1.643 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.636 -2.353 6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.681 -1.749 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.934 -5.647 5.855 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.028 -3.980 4.272 1.00 0.00 H new ATOM 751 N ASN A 50 -7.017 -0.571 7.537 1.00 0.00 N ATOM 752 CA ASN A 50 -8.025 -0.794 8.566 1.00 0.00 C ATOM 753 C ASN A 50 -7.486 -0.426 9.945 1.00 0.00 C ATOM 754 O ASN A 50 -7.740 -1.120 10.928 1.00 0.00 O ATOM 755 CB ASN A 50 -8.480 -2.255 8.557 1.00 0.00 C ATOM 756 CG ASN A 50 -9.895 -2.423 9.074 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.458 -1.513 9.682 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.478 -3.592 8.834 1.00 0.00 N ATOM 0 H ASN A 50 -7.386 -0.217 6.654 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.879 -0.153 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.419 -2.646 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.800 -2.848 9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.430 -3.763 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.974 -4.319 8.326 1.00 0.00 H new ATOM 765 N GLY A 51 -6.739 0.672 10.009 1.00 0.00 N ATOM 766 CA GLY A 51 -6.175 1.114 11.271 1.00 0.00 C ATOM 767 C GLY A 51 -4.976 0.287 11.691 1.00 0.00 C ATOM 768 O GLY A 51 -4.799 -0.005 12.874 1.00 0.00 O ATOM 0 H GLY A 51 -6.514 1.264 9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.880 2.160 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.939 1.060 12.046 1.00 0.00 H new ATOM 772 N ILE A 52 -4.151 -0.091 10.721 1.00 0.00 N ATOM 773 CA ILE A 52 -2.963 -0.889 10.997 1.00 0.00 C ATOM 774 C ILE A 52 -1.772 -0.405 10.176 1.00 0.00 C ATOM 775 O ILE A 52 -1.820 -0.385 8.946 1.00 0.00 O ATOM 776 CB ILE A 52 -3.205 -2.381 10.699 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.474 -2.865 11.403 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.004 -3.209 11.132 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.919 -4.243 10.968 1.00 0.00 C ATOM 0 H ILE A 52 -4.283 0.142 9.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.743 -0.770 12.058 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.339 -2.505 9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.303 -2.871 12.479 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.279 -2.155 11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.190 -4.261 10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.119 -2.878 10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.842 -3.083 12.202 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.824 -4.521 11.508 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.123 -4.238 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.131 -4.965 11.184 1.00 0.00 H new ATOM 791 N ASP A 53 -0.704 -0.018 10.865 1.00 0.00 N ATOM 792 CA ASP A 53 0.501 0.463 10.200 1.00 0.00 C ATOM 793 C ASP A 53 1.499 -0.672 9.995 1.00 0.00 C ATOM 794 O ASP A 53 1.851 -1.381 10.937 1.00 0.00 O ATOM 795 CB ASP A 53 1.146 1.584 11.017 1.00 0.00 C ATOM 796 CG ASP A 53 1.960 1.057 12.182 1.00 0.00 C ATOM 797 OD1 ASP A 53 3.157 0.759 11.984 1.00 0.00 O ATOM 798 OD2 ASP A 53 1.400 0.943 13.292 1.00 0.00 O ATOM 0 H ASP A 53 -0.648 -0.028 11.883 1.00 0.00 H new ATOM 0 HA ASP A 53 0.216 0.853 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.789 2.179 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.369 2.249 11.392 1.00 0.00 H new ATOM 803 N GLY A 54 1.949 -0.840 8.755 1.00 0.00 N ATOM 804 CA GLY A 54 2.901 -1.892 8.448 1.00 0.00 C ATOM 805 C GLY A 54 3.521 -1.730 7.074 1.00 0.00 C ATOM 806 O GLY A 54 3.640 -0.615 6.566 1.00 0.00 O ATOM 0 H GLY A 54 1.672 -0.267 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.689 -1.895 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.401 -2.859 8.506 1.00 0.00 H new ATOM 810 N LEU A 55 3.918 -2.846 6.471 1.00 0.00 N ATOM 811 CA LEU A 55 4.531 -2.823 5.148 1.00 0.00 C ATOM 812 C LEU A 55 3.561 -3.338 4.089 1.00 0.00 C ATOM 813 O LEU A 55 2.725 -4.199 4.367 1.00 0.00 O ATOM 814 CB LEU A 55 5.807 -3.666 5.141 1.00 0.00 C ATOM 815 CG LEU A 55 6.988 -3.104 5.932 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.122 -4.115 5.990 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.468 -1.797 5.317 1.00 0.00 C ATOM 0 H LEU A 55 3.826 -3.777 6.877 1.00 0.00 H new ATOM 0 HA LEU A 55 4.784 -1.790 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.568 -4.653 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.121 -3.804 4.107 1.00 0.00 H new ATOM 0 HG LEU A 55 6.655 -2.903 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.954 -3.697 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.773 -5.026 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.454 -4.348 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.309 -1.411 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.783 -1.973 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.656 -1.070 5.329 1.00 0.00 H new ATOM 829 N ILE A 56 3.680 -2.809 2.877 1.00 0.00 N ATOM 830 CA ILE A 56 2.816 -3.218 1.777 1.00 0.00 C ATOM 831 C ILE A 56 3.629 -3.522 0.523 1.00 0.00 C ATOM 832 O ILE A 56 4.449 -2.720 0.075 1.00 0.00 O ATOM 833 CB ILE A 56 1.772 -2.134 1.447 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.884 -1.864 2.663 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.930 -2.556 0.252 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.143 -0.548 2.590 1.00 0.00 C ATOM 0 H ILE A 56 4.367 -2.096 2.631 1.00 0.00 H new ATOM 0 HA ILE A 56 2.300 -4.122 2.101 1.00 0.00 H new ATOM 0 HB ILE A 56 2.295 -1.212 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.161 -2.674 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.500 -1.875 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.197 -1.780 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.575 -2.703 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.414 -3.488 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.466 -0.423 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.860 0.270 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.500 -0.541 1.710 1.00 0.00 H new ATOM 848 N PRO A 57 3.398 -4.709 -0.059 1.00 0.00 N ATOM 849 CA PRO A 57 4.097 -5.146 -1.271 1.00 0.00 C ATOM 850 C PRO A 57 3.677 -4.349 -2.502 1.00 0.00 C ATOM 851 O PRO A 57 2.508 -3.995 -2.655 1.00 0.00 O ATOM 852 CB PRO A 57 3.678 -6.611 -1.413 1.00 0.00 C ATOM 853 CG PRO A 57 2.366 -6.699 -0.712 1.00 0.00 C ATOM 854 CD PRO A 57 2.435 -5.714 0.421 1.00 0.00 C ATOM 0 HA PRO A 57 5.175 -5.002 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.587 -6.897 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.413 -7.278 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.545 -6.459 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.189 -7.709 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.461 -5.271 0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.773 -6.186 1.344 1.00 0.00 H new ATOM 862 N HIS A 58 4.638 -4.072 -3.377 1.00 0.00 N ATOM 863 CA HIS A 58 4.366 -3.318 -4.596 1.00 0.00 C ATOM 864 C HIS A 58 3.902 -4.244 -5.716 1.00 0.00 C ATOM 865 O HIS A 58 3.611 -3.795 -6.824 1.00 0.00 O ATOM 866 CB HIS A 58 5.615 -2.553 -5.036 1.00 0.00 C ATOM 867 CG HIS A 58 5.393 -1.681 -6.234 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.226 -0.315 -6.150 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.312 -1.989 -7.549 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.050 0.180 -7.362 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.098 -0.815 -8.229 1.00 0.00 N ATOM 0 H HIS A 58 5.611 -4.358 -3.265 1.00 0.00 H new ATOM 0 HA HIS A 58 3.568 -2.606 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.964 -1.936 -4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.408 -3.267 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.399 -2.974 -7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.894 1.221 -7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.993 -0.726 -9.240 1.00 0.00 H new ATOM 879 N GLN A 59 3.836 -5.538 -5.418 1.00 0.00 N ATOM 880 CA GLN A 59 3.408 -6.526 -6.401 1.00 0.00 C ATOM 881 C GLN A 59 1.924 -6.841 -6.246 1.00 0.00 C ATOM 882 O GLN A 59 1.283 -7.333 -7.175 1.00 0.00 O ATOM 883 CB GLN A 59 4.231 -7.808 -6.258 1.00 0.00 C ATOM 884 CG GLN A 59 5.708 -7.620 -6.565 1.00 0.00 C ATOM 885 CD GLN A 59 6.362 -8.885 -7.083 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.416 -9.900 -6.387 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.864 -8.832 -8.311 1.00 0.00 N ATOM 0 H GLN A 59 4.073 -5.926 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 59 3.570 -6.107 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.125 -8.186 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.824 -8.568 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.823 -6.827 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.224 -7.292 -5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.797 -7.970 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.316 -9.653 -8.713 1.00 0.00 H new ATOM 896 N TYR A 60 1.384 -6.556 -5.066 1.00 0.00 N ATOM 897 CA TYR A 60 -0.024 -6.811 -4.789 1.00 0.00 C ATOM 898 C TYR A 60 -0.785 -5.505 -4.582 1.00 0.00 C ATOM 899 O TYR A 60 -1.810 -5.472 -3.901 1.00 0.00 O ATOM 900 CB TYR A 60 -0.169 -7.700 -3.552 1.00 0.00 C ATOM 901 CG TYR A 60 0.507 -9.045 -3.690 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.883 -9.138 -3.860 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.229 -10.222 -3.650 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.505 -10.365 -3.987 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.384 -11.453 -3.775 1.00 0.00 C ATOM 906 CZ TYR A 60 1.752 -11.520 -3.944 1.00 0.00 C ATOM 907 OH TYR A 60 2.368 -12.744 -4.069 1.00 0.00 O ATOM 0 H TYR A 60 1.900 -6.148 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.450 -7.325 -5.651 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.249 -7.180 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.229 -7.855 -3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.476 -8.236 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.300 -10.174 -3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.575 -10.420 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.204 -12.358 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 60 1.696 -13.455 -4.016 1.00 0.00 H new ATOM 917 N ILE A 61 -0.274 -4.431 -5.175 1.00 0.00 N ATOM 918 CA ILE A 61 -0.905 -3.122 -5.058 1.00 0.00 C ATOM 919 C ILE A 61 -0.552 -2.233 -6.246 1.00 0.00 C ATOM 920 O ILE A 61 0.497 -2.398 -6.868 1.00 0.00 O ATOM 921 CB ILE A 61 -0.489 -2.411 -3.757 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.006 -2.086 -3.784 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.828 -3.272 -2.550 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.321 -0.733 -4.382 1.00 0.00 C ATOM 0 H ILE A 61 0.575 -4.442 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.982 -3.291 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.044 -1.476 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.396 -2.124 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.526 -2.856 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.528 -2.755 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.902 -3.457 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.298 -4.222 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.399 -0.571 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.962 -0.697 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.830 0.046 -3.799 1.00 0.00 H new ATOM 936 N VAL A 62 -1.434 -1.288 -6.554 1.00 0.00 N ATOM 937 CA VAL A 62 -1.215 -0.371 -7.666 1.00 0.00 C ATOM 938 C VAL A 62 -1.071 1.065 -7.173 1.00 0.00 C ATOM 939 O VAL A 62 -2.062 1.735 -6.883 1.00 0.00 O ATOM 940 CB VAL A 62 -2.367 -0.439 -8.686 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.071 0.449 -9.885 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.608 -1.876 -9.122 1.00 0.00 C ATOM 0 H VAL A 62 -2.307 -1.137 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.290 -0.680 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.275 -0.072 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.896 0.388 -10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.953 1.481 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.152 0.115 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.425 -1.905 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.703 -2.273 -9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.868 -2.481 -8.253 1.00 0.00 H new ATOM 952 N VAL A 63 0.170 1.531 -7.081 1.00 0.00 N ATOM 953 CA VAL A 63 0.445 2.889 -6.624 1.00 0.00 C ATOM 954 C VAL A 63 0.032 3.915 -7.673 1.00 0.00 C ATOM 955 O VAL A 63 0.709 4.089 -8.685 1.00 0.00 O ATOM 956 CB VAL A 63 1.937 3.079 -6.296 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.226 4.531 -5.945 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.355 2.155 -5.162 1.00 0.00 C ATOM 0 H VAL A 63 1.001 0.989 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.141 3.043 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 63 2.521 2.820 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.285 4.646 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.966 5.168 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.634 4.820 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.413 2.303 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.766 2.380 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.187 1.119 -5.456 1.00 0.00 H new ATOM 968 N GLN A 64 -1.084 4.593 -7.422 1.00 0.00 N ATOM 969 CA GLN A 64 -1.588 5.603 -8.346 1.00 0.00 C ATOM 970 C GLN A 64 -0.688 6.834 -8.350 1.00 0.00 C ATOM 971 O GLN A 64 -0.505 7.484 -7.320 1.00 0.00 O ATOM 972 CB GLN A 64 -3.016 6.001 -7.970 1.00 0.00 C ATOM 973 CG GLN A 64 -3.985 4.830 -7.934 1.00 0.00 C ATOM 974 CD GLN A 64 -4.654 4.586 -9.273 1.00 0.00 C ATOM 975 OE1 GLN A 64 -4.863 5.515 -10.054 1.00 0.00 O ATOM 976 NE2 GLN A 64 -4.994 3.332 -9.545 1.00 0.00 N ATOM 0 H GLN A 64 -1.656 4.461 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.590 5.174 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.004 6.482 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.378 6.740 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.451 3.930 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.749 5.018 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.802 2.593 -8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.447 3.107 -10.431 1.00 0.00 H new ATOM 985 N ASP A 65 -0.128 7.148 -9.513 1.00 0.00 N ATOM 986 CA ASP A 65 0.752 8.302 -9.651 1.00 0.00 C ATOM 987 C ASP A 65 0.030 9.459 -10.335 1.00 0.00 C ATOM 988 O ASP A 65 -1.055 9.285 -10.892 1.00 0.00 O ATOM 989 CB ASP A 65 2.003 7.924 -10.446 1.00 0.00 C ATOM 990 CG ASP A 65 1.677 7.465 -11.853 1.00 0.00 C ATOM 991 OD1 ASP A 65 0.630 6.809 -12.037 1.00 0.00 O ATOM 992 OD2 ASP A 65 2.469 7.762 -12.772 1.00 0.00 O ATOM 0 H ASP A 65 -0.268 6.619 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 65 1.048 8.623 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.673 8.782 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.537 7.131 -9.923 1.00 0.00 H new ATOM 997 N THR A 66 0.638 10.640 -10.288 1.00 0.00 N ATOM 998 CA THR A 66 0.052 11.826 -10.901 1.00 0.00 C ATOM 999 C THR A 66 0.797 12.212 -12.174 1.00 0.00 C ATOM 1000 O THR A 66 0.291 12.981 -12.991 1.00 0.00 O ATOM 1001 CB THR A 66 0.061 13.022 -9.931 1.00 0.00 C ATOM 1002 OG1 THR A 66 -0.502 14.174 -10.569 1.00 0.00 O ATOM 1003 CG2 THR A 66 1.477 13.334 -9.470 1.00 0.00 C ATOM 0 H THR A 66 1.536 10.801 -9.832 1.00 0.00 H new ATOM 0 HA THR A 66 -0.980 11.577 -11.149 1.00 0.00 H new ATOM 0 HB THR A 66 -0.539 12.759 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.451 14.067 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.458 14.182 -8.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.893 12.465 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.095 13.578 -10.334 1.00 0.00 H new ATOM 1011 N SER A 67 2.001 11.673 -12.336 1.00 0.00 N ATOM 1012 CA SER A 67 2.817 11.964 -13.509 1.00 0.00 C ATOM 1013 C SER A 67 2.334 11.169 -14.718 1.00 0.00 C ATOM 1014 O SER A 67 2.643 9.987 -14.861 1.00 0.00 O ATOM 1015 CB SER A 67 4.286 11.642 -13.226 1.00 0.00 C ATOM 1016 OG SER A 67 4.816 12.507 -12.237 1.00 0.00 O ATOM 0 H SER A 67 2.433 11.033 -11.670 1.00 0.00 H new ATOM 0 HA SER A 67 2.721 13.026 -13.734 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.378 10.607 -12.896 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.866 11.736 -14.144 1.00 0.00 H new ATOM 0 HG SER A 67 5.755 12.280 -12.073 1.00 0.00 H new ATOM 1022 N GLY A 68 1.572 11.828 -15.586 1.00 0.00 N ATOM 1023 CA GLY A 68 1.058 11.168 -16.772 1.00 0.00 C ATOM 1024 C GLY A 68 1.612 11.761 -18.052 1.00 0.00 C ATOM 1025 O GLY A 68 1.870 12.961 -18.144 1.00 0.00 O ATOM 0 H GLY A 68 1.302 12.807 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.306 10.107 -16.730 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.029 11.241 -16.782 1.00 0.00 H new ATOM 1029 N PRO A 69 1.805 10.908 -19.068 1.00 0.00 N ATOM 1030 CA PRO A 69 2.336 11.331 -20.367 1.00 0.00 C ATOM 1031 C PRO A 69 1.345 12.189 -21.147 1.00 0.00 C ATOM 1032 O PRO A 69 1.634 12.635 -22.257 1.00 0.00 O ATOM 1033 CB PRO A 69 2.588 10.009 -21.096 1.00 0.00 C ATOM 1034 CG PRO A 69 1.644 9.044 -20.467 1.00 0.00 C ATOM 1035 CD PRO A 69 1.520 9.464 -19.028 1.00 0.00 C ATOM 0 HA PRO A 69 3.226 11.951 -20.260 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.402 10.105 -22.166 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.622 9.684 -20.980 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.675 9.066 -20.965 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.020 8.024 -20.545 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.524 9.262 -18.635 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.228 8.932 -18.392 1.00 0.00 H new ATOM 1043 N SER A 70 0.175 12.416 -20.558 1.00 0.00 N ATOM 1044 CA SER A 70 -0.861 13.217 -21.199 1.00 0.00 C ATOM 1045 C SER A 70 -1.275 14.384 -20.307 1.00 0.00 C ATOM 1046 O SER A 70 -2.149 14.245 -19.451 1.00 0.00 O ATOM 1047 CB SER A 70 -2.079 12.350 -21.523 1.00 0.00 C ATOM 1048 OG SER A 70 -1.815 11.488 -22.616 1.00 0.00 O ATOM 0 H SER A 70 -0.079 12.056 -19.638 1.00 0.00 H new ATOM 0 HA SER A 70 -0.453 13.618 -22.127 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.352 11.760 -20.648 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.932 12.988 -21.756 1.00 0.00 H new ATOM 0 HG SER A 70 -2.608 10.943 -22.802 1.00 0.00 H new ATOM 1054 N SER A 71 -0.641 15.533 -20.514 1.00 0.00 N ATOM 1055 CA SER A 71 -0.940 16.724 -19.727 1.00 0.00 C ATOM 1056 C SER A 71 -2.014 17.568 -20.406 1.00 0.00 C ATOM 1057 O SER A 71 -1.761 18.214 -21.423 1.00 0.00 O ATOM 1058 CB SER A 71 0.327 17.557 -19.523 1.00 0.00 C ATOM 1059 OG SER A 71 0.056 18.717 -18.756 1.00 0.00 O ATOM 0 H SER A 71 0.083 15.665 -21.220 1.00 0.00 H new ATOM 0 HA SER A 71 -1.316 16.403 -18.755 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.085 16.955 -19.022 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.737 17.845 -20.491 1.00 0.00 H new ATOM 0 HG SER A 71 0.882 19.232 -18.638 1.00 0.00 H new ATOM 1065 N GLY A 72 -3.215 17.558 -19.835 1.00 0.00 N ATOM 1066 CA GLY A 72 -4.310 18.326 -20.398 1.00 0.00 C ATOM 1067 C GLY A 72 -4.930 19.275 -19.391 1.00 0.00 C ATOM 1068 O GLY A 72 -5.762 18.870 -18.579 1.00 0.00 O ATOM 0 H GLY A 72 -3.449 17.032 -18.993 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.948 18.895 -21.254 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.075 17.644 -20.769 1.00 0.00 H new TER 1072 GLY A 72