USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.042) USER MOD Single : A 9 GLN : amide:sc= -0.822 K(o=-0.82,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0581) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0633 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.93 K(o=0.93,f=-0.21) USER MOD Single : A 30 ASN : amide:sc= -0.901 K(o=-0.9,f=-0.072!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= -0.353 (180deg=-1.84!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00765 K(o=-0.0076,f=-0.58) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.18! C(o=-2.2!,f=-5.5!) USER MOD Single : A 58 THR OG1 : rot -85:sc= 0.0726 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0303 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.879 5.986 18.181 1.00 0.00 N ATOM 2 CA GLY A 1 0.563 5.831 18.137 1.00 0.00 C ATOM 3 C GLY A 1 1.035 4.588 18.865 1.00 0.00 C ATOM 4 O GLY A 1 0.701 4.379 20.031 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.151 6.850 17.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.330 5.162 17.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.190 6.057 19.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.889 5.785 17.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.033 6.709 18.580 1.00 0.00 H new ATOM 8 N SER A 2 1.812 3.760 18.175 1.00 0.00 N ATOM 9 CA SER A 2 2.326 2.527 18.762 1.00 0.00 C ATOM 10 C SER A 2 3.828 2.397 18.524 1.00 0.00 C ATOM 11 O SER A 2 4.432 3.221 17.836 1.00 0.00 O ATOM 12 CB SER A 2 1.600 1.316 18.175 1.00 0.00 C ATOM 13 OG SER A 2 0.212 1.364 18.465 1.00 0.00 O ATOM 0 H SER A 2 2.100 3.920 17.210 1.00 0.00 H new ATOM 0 HA SER A 2 2.147 2.564 19.837 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.749 1.287 17.096 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.028 0.399 18.581 1.00 0.00 H new ATOM 0 HG SER A 2 -0.230 0.580 18.078 1.00 0.00 H new ATOM 19 N SER A 3 4.423 1.357 19.098 1.00 0.00 N ATOM 20 CA SER A 3 5.855 1.120 18.952 1.00 0.00 C ATOM 21 C SER A 3 6.127 -0.322 18.538 1.00 0.00 C ATOM 22 O SER A 3 5.479 -1.251 19.018 1.00 0.00 O ATOM 23 CB SER A 3 6.581 1.432 20.263 1.00 0.00 C ATOM 24 OG SER A 3 6.284 2.744 20.711 1.00 0.00 O ATOM 0 H SER A 3 3.937 0.665 19.668 1.00 0.00 H new ATOM 0 HA SER A 3 6.230 1.781 18.171 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.289 0.709 21.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.657 1.328 20.120 1.00 0.00 H new ATOM 0 HG SER A 3 6.758 2.918 21.551 1.00 0.00 H new ATOM 30 N GLY A 4 7.094 -0.501 17.642 1.00 0.00 N ATOM 31 CA GLY A 4 7.436 -1.833 17.176 1.00 0.00 C ATOM 32 C GLY A 4 8.288 -1.808 15.922 1.00 0.00 C ATOM 33 O GLY A 4 7.780 -1.986 14.816 1.00 0.00 O ATOM 0 H GLY A 4 7.646 0.252 17.231 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.970 -2.364 17.964 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.521 -2.392 16.979 1.00 0.00 H new ATOM 37 N SER A 5 9.587 -1.585 16.096 1.00 0.00 N ATOM 38 CA SER A 5 10.510 -1.531 14.969 1.00 0.00 C ATOM 39 C SER A 5 11.727 -2.416 15.221 1.00 0.00 C ATOM 40 O SER A 5 12.535 -2.142 16.108 1.00 0.00 O ATOM 41 CB SER A 5 10.957 -0.089 14.717 1.00 0.00 C ATOM 42 OG SER A 5 9.949 0.647 14.046 1.00 0.00 O ATOM 0 H SER A 5 10.023 -1.439 17.006 1.00 0.00 H new ATOM 0 HA SER A 5 9.989 -1.902 14.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.193 0.393 15.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.870 -0.087 14.122 1.00 0.00 H new ATOM 0 HG SER A 5 10.258 1.565 13.898 1.00 0.00 H new ATOM 48 N SER A 6 11.850 -3.480 14.434 1.00 0.00 N ATOM 49 CA SER A 6 12.966 -4.409 14.573 1.00 0.00 C ATOM 50 C SER A 6 14.239 -3.672 14.978 1.00 0.00 C ATOM 51 O SER A 6 14.963 -4.107 15.873 1.00 0.00 O ATOM 52 CB SER A 6 13.194 -5.165 13.264 1.00 0.00 C ATOM 53 OG SER A 6 13.323 -4.268 12.174 1.00 0.00 O ATOM 0 H SER A 6 11.191 -3.720 13.694 1.00 0.00 H new ATOM 0 HA SER A 6 12.716 -5.124 15.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.093 -5.776 13.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.362 -5.845 13.083 1.00 0.00 H new ATOM 0 HG SER A 6 13.470 -4.775 11.348 1.00 0.00 H new ATOM 59 N GLY A 7 14.504 -2.553 14.311 1.00 0.00 N ATOM 60 CA GLY A 7 15.690 -1.773 14.614 1.00 0.00 C ATOM 61 C GLY A 7 16.855 -2.113 13.706 1.00 0.00 C ATOM 62 O GLY A 7 17.492 -3.155 13.864 1.00 0.00 O ATOM 0 H GLY A 7 13.919 -2.173 13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.457 -0.712 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.979 -1.945 15.651 1.00 0.00 H new ATOM 66 N HIS A 8 17.135 -1.232 12.750 1.00 0.00 N ATOM 67 CA HIS A 8 18.231 -1.444 11.812 1.00 0.00 C ATOM 68 C HIS A 8 18.912 -0.123 11.464 1.00 0.00 C ATOM 69 O HIS A 8 18.471 0.944 11.891 1.00 0.00 O ATOM 70 CB HIS A 8 17.718 -2.117 10.539 1.00 0.00 C ATOM 71 CG HIS A 8 16.694 -1.308 9.804 1.00 0.00 C ATOM 72 ND1 HIS A 8 16.809 -0.982 8.470 1.00 0.00 N ATOM 73 CD2 HIS A 8 15.531 -0.760 10.226 1.00 0.00 C ATOM 74 CE1 HIS A 8 15.761 -0.267 8.102 1.00 0.00 C ATOM 75 NE2 HIS A 8 14.969 -0.119 9.149 1.00 0.00 N ATOM 0 H HIS A 8 16.618 -0.365 12.605 1.00 0.00 H new ATOM 0 HA HIS A 8 18.963 -2.096 12.289 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.561 -2.310 9.875 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.287 -3.084 10.798 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.121 -0.816 11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.582 0.129 7.113 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.084 0.389 9.156 1.00 0.00 H new ATOM 83 N GLN A 9 19.987 -0.204 10.687 1.00 0.00 N ATOM 84 CA GLN A 9 20.728 0.985 10.283 1.00 0.00 C ATOM 85 C GLN A 9 20.855 1.058 8.765 1.00 0.00 C ATOM 86 O GLN A 9 21.787 0.503 8.184 1.00 0.00 O ATOM 87 CB GLN A 9 22.117 0.987 10.923 1.00 0.00 C ATOM 88 CG GLN A 9 22.812 2.339 10.865 1.00 0.00 C ATOM 89 CD GLN A 9 21.894 3.485 11.241 1.00 0.00 C ATOM 90 OE1 GLN A 9 21.003 3.332 12.077 1.00 0.00 O ATOM 91 NE2 GLN A 9 22.106 4.641 10.624 1.00 0.00 N ATOM 0 H GLN A 9 20.364 -1.080 10.325 1.00 0.00 H new ATOM 0 HA GLN A 9 20.176 1.860 10.625 1.00 0.00 H new ATOM 0 HB2 GLN A 9 22.029 0.678 11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 9 22.740 0.246 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 9 23.670 2.331 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 9 23.197 2.502 9.858 1.00 0.00 H new ATOM 0 HE21 GLN A 9 22.856 4.723 9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 9 21.519 5.448 10.836 1.00 0.00 H new ATOM 100 N GLU A 10 19.912 1.746 8.130 1.00 0.00 N ATOM 101 CA GLU A 10 19.919 1.890 6.679 1.00 0.00 C ATOM 102 C GLU A 10 18.821 2.846 6.221 1.00 0.00 C ATOM 103 O GLU A 10 17.642 2.640 6.512 1.00 0.00 O ATOM 104 CB GLU A 10 19.734 0.527 6.008 1.00 0.00 C ATOM 105 CG GLU A 10 20.325 0.453 4.609 1.00 0.00 C ATOM 106 CD GLU A 10 20.667 -0.965 4.196 1.00 0.00 C ATOM 107 OE1 GLU A 10 21.656 -1.517 4.724 1.00 0.00 O ATOM 108 OE2 GLU A 10 19.946 -1.525 3.344 1.00 0.00 O ATOM 0 H GLU A 10 19.134 2.212 8.597 1.00 0.00 H new ATOM 0 HA GLU A 10 20.884 2.304 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.195 -0.240 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.670 0.298 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.616 0.874 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.224 1.067 4.565 1.00 0.00 H new ATOM 115 N ILE A 11 19.217 3.893 5.505 1.00 0.00 N ATOM 116 CA ILE A 11 18.269 4.881 5.007 1.00 0.00 C ATOM 117 C ILE A 11 17.205 4.229 4.129 1.00 0.00 C ATOM 118 O ILE A 11 17.501 3.335 3.337 1.00 0.00 O ATOM 119 CB ILE A 11 18.976 5.986 4.201 1.00 0.00 C ATOM 120 CG1 ILE A 11 17.962 7.028 3.723 1.00 0.00 C ATOM 121 CG2 ILE A 11 19.723 5.384 3.019 1.00 0.00 C ATOM 122 CD1 ILE A 11 17.673 8.103 4.747 1.00 0.00 C ATOM 0 H ILE A 11 20.189 4.079 5.257 1.00 0.00 H new ATOM 0 HA ILE A 11 17.793 5.328 5.880 1.00 0.00 H new ATOM 0 HB ILE A 11 19.699 6.481 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 11 18.336 7.496 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.031 6.525 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 20.218 6.178 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 11 20.469 4.677 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 11 19.018 4.866 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.947 8.807 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.269 7.646 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 11 18.595 8.632 4.989 1.00 0.00 H new ATOM 134 N LYS A 12 15.965 4.684 4.275 1.00 0.00 N ATOM 135 CA LYS A 12 14.857 4.147 3.495 1.00 0.00 C ATOM 136 C LYS A 12 15.199 4.124 2.009 1.00 0.00 C ATOM 137 O LYS A 12 15.809 5.057 1.487 1.00 0.00 O ATOM 138 CB LYS A 12 13.594 4.982 3.725 1.00 0.00 C ATOM 139 CG LYS A 12 12.307 4.186 3.588 1.00 0.00 C ATOM 140 CD LYS A 12 12.004 3.396 4.851 1.00 0.00 C ATOM 141 CE LYS A 12 10.640 2.726 4.774 1.00 0.00 C ATOM 142 NZ LYS A 12 9.531 3.701 4.965 1.00 0.00 N ATOM 0 H LYS A 12 15.703 5.424 4.927 1.00 0.00 H new ATOM 0 HA LYS A 12 14.675 3.124 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.635 5.422 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.579 5.807 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.480 4.863 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.388 3.504 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.774 2.640 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.036 4.061 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.530 2.236 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.574 1.948 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.621 3.198 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.649 4.187 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.547 4.400 4.195 1.00 0.00 H new ATOM 156 N GLY A 13 14.801 3.052 1.331 1.00 0.00 N ATOM 157 CA GLY A 13 15.074 2.928 -0.089 1.00 0.00 C ATOM 158 C GLY A 13 15.410 1.506 -0.494 1.00 0.00 C ATOM 159 O GLY A 13 16.582 1.145 -0.603 1.00 0.00 O ATOM 0 H GLY A 13 14.294 2.267 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.206 3.268 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.903 3.584 -0.355 1.00 0.00 H new ATOM 163 N ARG A 14 14.379 0.696 -0.715 1.00 0.00 N ATOM 164 CA ARG A 14 14.571 -0.695 -1.106 1.00 0.00 C ATOM 165 C ARG A 14 13.697 -1.048 -2.306 1.00 0.00 C ATOM 166 O ARG A 14 12.543 -0.627 -2.391 1.00 0.00 O ATOM 167 CB ARG A 14 14.250 -1.625 0.065 1.00 0.00 C ATOM 168 CG ARG A 14 15.106 -1.373 1.296 1.00 0.00 C ATOM 169 CD ARG A 14 14.629 -2.196 2.483 1.00 0.00 C ATOM 170 NE ARG A 14 15.638 -2.271 3.536 1.00 0.00 N ATOM 171 CZ ARG A 14 16.656 -3.126 3.520 1.00 0.00 C ATOM 172 NH1 ARG A 14 16.799 -3.972 2.509 1.00 0.00 N ATOM 173 NH2 ARG A 14 17.533 -3.133 4.515 1.00 0.00 N ATOM 0 H ARG A 14 13.403 0.979 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 14 15.615 -0.826 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.200 -1.508 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.384 -2.658 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 14 16.145 -1.619 1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.076 -0.314 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.716 -1.757 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.378 -3.203 2.149 1.00 0.00 H new ATOM 0 HE ARG A 14 15.557 -1.632 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.127 -3.968 1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.581 -4.627 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.427 -2.482 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.314 -3.789 4.502 1.00 0.00 H new ATOM 187 N LYS A 15 14.254 -1.823 -3.230 1.00 0.00 N ATOM 188 CA LYS A 15 13.526 -2.234 -4.424 1.00 0.00 C ATOM 189 C LYS A 15 12.406 -3.207 -4.071 1.00 0.00 C ATOM 190 O LYS A 15 12.629 -4.412 -3.956 1.00 0.00 O ATOM 191 CB LYS A 15 14.480 -2.882 -5.430 1.00 0.00 C ATOM 192 CG LYS A 15 15.566 -1.945 -5.929 1.00 0.00 C ATOM 193 CD LYS A 15 16.706 -1.830 -4.932 1.00 0.00 C ATOM 194 CE LYS A 15 18.002 -1.414 -5.612 1.00 0.00 C ATOM 195 NZ LYS A 15 18.612 -2.537 -6.377 1.00 0.00 N ATOM 0 H LYS A 15 15.208 -2.179 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 15 13.083 -1.345 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.947 -3.752 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.905 -3.244 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.951 -2.308 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.140 -0.958 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.447 -1.101 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.849 -2.786 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.807 -0.579 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.709 -1.060 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.576 -2.276 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.650 -3.386 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.037 -2.735 -7.221 1.00 0.00 H new ATOM 209 N THR A 16 11.198 -2.675 -3.901 1.00 0.00 N ATOM 210 CA THR A 16 10.044 -3.496 -3.561 1.00 0.00 C ATOM 211 C THR A 16 10.046 -4.801 -4.349 1.00 0.00 C ATOM 212 O THR A 16 10.530 -4.854 -5.481 1.00 0.00 O ATOM 213 CB THR A 16 8.724 -2.748 -3.831 1.00 0.00 C ATOM 214 OG1 THR A 16 8.812 -1.406 -3.340 1.00 0.00 O ATOM 215 CG2 THR A 16 7.554 -3.460 -3.168 1.00 0.00 C ATOM 0 H THR A 16 10.995 -1.680 -3.994 1.00 0.00 H new ATOM 0 HA THR A 16 10.116 -3.718 -2.496 1.00 0.00 H new ATOM 0 HB THR A 16 8.556 -2.730 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.970 -0.937 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.633 -2.914 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.472 -4.472 -3.565 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.718 -3.505 -2.091 1.00 0.00 H new ATOM 223 N LEU A 17 9.499 -5.852 -3.747 1.00 0.00 N ATOM 224 CA LEU A 17 9.437 -7.157 -4.393 1.00 0.00 C ATOM 225 C LEU A 17 8.025 -7.454 -4.887 1.00 0.00 C ATOM 226 O LEU A 17 7.139 -7.788 -4.100 1.00 0.00 O ATOM 227 CB LEU A 17 9.891 -8.251 -3.423 1.00 0.00 C ATOM 228 CG LEU A 17 10.013 -9.658 -4.009 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.335 -9.819 -4.743 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.878 -10.705 -2.912 1.00 0.00 C ATOM 0 H LEU A 17 9.092 -5.825 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 17 10.107 -7.141 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.859 -7.965 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.188 -8.285 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 17 9.205 -9.804 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.403 -10.827 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.392 -9.093 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.159 -9.653 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.967 -11.701 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.665 -10.560 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.905 -10.605 -2.431 1.00 0.00 H new ATOM 242 N ALA A 18 7.823 -7.332 -6.195 1.00 0.00 N ATOM 243 CA ALA A 18 6.519 -7.591 -6.794 1.00 0.00 C ATOM 244 C ALA A 18 6.592 -7.523 -8.315 1.00 0.00 C ATOM 245 O ALA A 18 7.439 -6.828 -8.877 1.00 0.00 O ATOM 246 CB ALA A 18 5.491 -6.601 -6.268 1.00 0.00 C ATOM 0 H ALA A 18 8.545 -7.056 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 18 6.212 -8.599 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.522 -6.806 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.411 -6.700 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.802 -5.587 -6.518 1.00 0.00 H new ATOM 252 N THR A 19 5.698 -8.250 -8.979 1.00 0.00 N ATOM 253 CA THR A 19 5.661 -8.274 -10.436 1.00 0.00 C ATOM 254 C THR A 19 5.498 -6.869 -11.005 1.00 0.00 C ATOM 255 O THR A 19 5.068 -5.941 -10.319 1.00 0.00 O ATOM 256 CB THR A 19 4.514 -9.162 -10.955 1.00 0.00 C ATOM 257 OG1 THR A 19 3.431 -9.159 -10.018 1.00 0.00 O ATOM 258 CG2 THR A 19 4.994 -10.588 -11.180 1.00 0.00 C ATOM 0 H THR A 19 4.989 -8.830 -8.530 1.00 0.00 H new ATOM 0 HA THR A 19 6.612 -8.690 -10.769 1.00 0.00 H new ATOM 0 HB THR A 19 4.171 -8.757 -11.907 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.705 -9.724 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.167 -11.197 -11.546 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.799 -10.589 -11.915 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.360 -11.001 -10.240 1.00 0.00 H new ATOM 266 N PRO A 20 5.846 -6.706 -12.289 1.00 0.00 N ATOM 267 CA PRO A 20 5.746 -5.417 -12.979 1.00 0.00 C ATOM 268 C PRO A 20 4.300 -4.997 -13.218 1.00 0.00 C ATOM 269 O PRO A 20 3.948 -3.829 -13.059 1.00 0.00 O ATOM 270 CB PRO A 20 6.456 -5.671 -14.312 1.00 0.00 C ATOM 271 CG PRO A 20 6.331 -7.139 -14.533 1.00 0.00 C ATOM 272 CD PRO A 20 6.365 -7.768 -13.167 1.00 0.00 C ATOM 0 HA PRO A 20 6.184 -4.608 -12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.992 -5.108 -15.122 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.501 -5.365 -14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.401 -7.378 -15.050 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.146 -7.511 -15.154 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.747 -8.664 -13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.376 -8.064 -12.886 1.00 0.00 H new ATOM 280 N ALA A 21 3.465 -5.960 -13.598 1.00 0.00 N ATOM 281 CA ALA A 21 2.055 -5.690 -13.855 1.00 0.00 C ATOM 282 C ALA A 21 1.356 -5.180 -12.599 1.00 0.00 C ATOM 283 O ALA A 21 0.418 -4.386 -12.677 1.00 0.00 O ATOM 284 CB ALA A 21 1.365 -6.942 -14.374 1.00 0.00 C ATOM 0 H ALA A 21 3.740 -6.933 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 21 1.992 -4.912 -14.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.313 -6.726 -14.562 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.841 -7.262 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.446 -7.736 -13.632 1.00 0.00 H new ATOM 290 N VAL A 22 1.818 -5.642 -11.441 1.00 0.00 N ATOM 291 CA VAL A 22 1.237 -5.233 -10.169 1.00 0.00 C ATOM 292 C VAL A 22 1.827 -3.909 -9.696 1.00 0.00 C ATOM 293 O VAL A 22 1.119 -3.062 -9.150 1.00 0.00 O ATOM 294 CB VAL A 22 1.460 -6.300 -9.080 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.891 -5.832 -7.749 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.840 -7.624 -9.498 1.00 0.00 C ATOM 0 H VAL A 22 2.593 -6.300 -11.358 1.00 0.00 H new ATOM 0 HA VAL A 22 0.166 -5.112 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 22 2.533 -6.450 -8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.058 -6.599 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.386 -4.909 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.179 -5.652 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.007 -8.366 -8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.231 -7.492 -9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.299 -7.964 -10.426 1.00 0.00 H new ATOM 306 N ARG A 23 3.127 -3.737 -9.909 1.00 0.00 N ATOM 307 CA ARG A 23 3.812 -2.516 -9.503 1.00 0.00 C ATOM 308 C ARG A 23 3.138 -1.288 -10.108 1.00 0.00 C ATOM 309 O ARG A 23 3.305 -0.171 -9.616 1.00 0.00 O ATOM 310 CB ARG A 23 5.281 -2.565 -9.928 1.00 0.00 C ATOM 311 CG ARG A 23 6.168 -3.343 -8.968 1.00 0.00 C ATOM 312 CD ARG A 23 7.545 -3.595 -9.561 1.00 0.00 C ATOM 313 NE ARG A 23 8.455 -2.477 -9.326 1.00 0.00 N ATOM 314 CZ ARG A 23 9.572 -2.281 -10.018 1.00 0.00 C ATOM 315 NH1 ARG A 23 9.915 -3.123 -10.982 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.348 -1.240 -9.745 1.00 0.00 N ATOM 0 H ARG A 23 3.727 -4.427 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 23 3.757 -2.442 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.349 -3.016 -10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.660 -1.547 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.269 -2.789 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.696 -4.295 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.966 -4.502 -9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.452 -3.767 -10.633 1.00 0.00 H new ATOM 0 HE ARG A 23 8.220 -1.810 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.321 -3.924 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.773 -2.970 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.087 -0.590 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.206 -1.090 -10.276 1.00 0.00 H new ATOM 330 N ARG A 24 2.378 -1.502 -11.176 1.00 0.00 N ATOM 331 CA ARG A 24 1.681 -0.413 -11.849 1.00 0.00 C ATOM 332 C ARG A 24 0.304 -0.186 -11.231 1.00 0.00 C ATOM 333 O ARG A 24 -0.151 0.952 -11.103 1.00 0.00 O ATOM 334 CB ARG A 24 1.538 -0.714 -13.341 1.00 0.00 C ATOM 335 CG ARG A 24 0.318 -0.071 -13.980 1.00 0.00 C ATOM 336 CD ARG A 24 0.508 0.123 -15.476 1.00 0.00 C ATOM 337 NE ARG A 24 -0.758 0.064 -16.200 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.845 -0.113 -17.514 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.254 -0.247 -18.243 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.034 -0.154 -18.101 1.00 0.00 N ATOM 0 H ARG A 24 2.229 -2.420 -11.594 1.00 0.00 H new ATOM 0 HA ARG A 24 2.272 0.495 -11.724 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.433 -0.369 -13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.484 -1.794 -13.481 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.558 -0.694 -13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.125 0.893 -13.509 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.986 1.085 -15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.181 -0.645 -15.859 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.623 0.164 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.170 -0.214 -17.795 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.184 -0.383 -19.251 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.882 -0.050 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.100 -0.290 -19.110 1.00 0.00 H new ATOM 354 N LEU A 25 -0.356 -1.274 -10.852 1.00 0.00 N ATOM 355 CA LEU A 25 -1.681 -1.195 -10.247 1.00 0.00 C ATOM 356 C LEU A 25 -1.703 -0.174 -9.115 1.00 0.00 C ATOM 357 O LEU A 25 -2.760 0.338 -8.748 1.00 0.00 O ATOM 358 CB LEU A 25 -2.107 -2.567 -9.721 1.00 0.00 C ATOM 359 CG LEU A 25 -3.612 -2.795 -9.583 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.324 -2.473 -10.887 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.898 -4.227 -9.156 1.00 0.00 C ATOM 0 H LEU A 25 0.005 -2.223 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.385 -0.873 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.704 -3.330 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.646 -2.719 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.991 -2.125 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.394 -2.642 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.148 -1.430 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.941 -3.116 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.974 -4.371 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.503 -4.915 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.421 -4.422 -8.195 1.00 0.00 H new ATOM 373 N ALA A 26 -0.529 0.118 -8.565 1.00 0.00 N ATOM 374 CA ALA A 26 -0.412 1.081 -7.478 1.00 0.00 C ATOM 375 C ALA A 26 -0.145 2.484 -8.012 1.00 0.00 C ATOM 376 O ALA A 26 -0.744 3.457 -7.556 1.00 0.00 O ATOM 377 CB ALA A 26 0.689 0.661 -6.516 1.00 0.00 C ATOM 0 H ALA A 26 0.355 -0.299 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.360 1.101 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.765 1.390 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.454 -0.318 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.638 0.610 -7.049 1.00 0.00 H new ATOM 383 N MET A 27 0.760 2.580 -8.980 1.00 0.00 N ATOM 384 CA MET A 27 1.108 3.865 -9.577 1.00 0.00 C ATOM 385 C MET A 27 -0.106 4.497 -10.249 1.00 0.00 C ATOM 386 O MET A 27 -0.151 5.710 -10.457 1.00 0.00 O ATOM 387 CB MET A 27 2.236 3.690 -10.595 1.00 0.00 C ATOM 388 CG MET A 27 1.743 3.408 -12.006 1.00 0.00 C ATOM 389 SD MET A 27 3.092 3.184 -13.181 1.00 0.00 S ATOM 390 CE MET A 27 2.792 4.545 -14.304 1.00 0.00 C ATOM 0 H MET A 27 1.266 1.784 -9.368 1.00 0.00 H new ATOM 0 HA MET A 27 1.447 4.528 -8.781 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.848 4.592 -10.606 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.881 2.872 -10.274 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.121 2.513 -11.997 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.111 4.232 -12.337 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.547 4.541 -15.090 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.803 4.438 -14.750 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.843 5.486 -13.757 1.00 0.00 H new ATOM 400 N GLU A 28 -1.090 3.668 -10.588 1.00 0.00 N ATOM 401 CA GLU A 28 -2.303 4.148 -11.237 1.00 0.00 C ATOM 402 C GLU A 28 -3.369 4.503 -10.206 1.00 0.00 C ATOM 403 O GLU A 28 -4.262 5.307 -10.471 1.00 0.00 O ATOM 404 CB GLU A 28 -2.844 3.091 -12.203 1.00 0.00 C ATOM 405 CG GLU A 28 -1.961 2.868 -13.419 1.00 0.00 C ATOM 406 CD GLU A 28 -2.235 3.863 -14.529 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.382 4.350 -14.619 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.304 4.156 -15.308 1.00 0.00 O ATOM 0 H GLU A 28 -1.070 2.662 -10.423 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.051 5.048 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.958 2.147 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.838 3.390 -12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.915 2.940 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.116 1.857 -13.796 1.00 0.00 H new ATOM 415 N ASN A 29 -3.267 3.898 -9.027 1.00 0.00 N ATOM 416 CA ASN A 29 -4.223 4.149 -7.953 1.00 0.00 C ATOM 417 C ASN A 29 -3.575 4.940 -6.821 1.00 0.00 C ATOM 418 O ASN A 29 -4.131 5.052 -5.730 1.00 0.00 O ATOM 419 CB ASN A 29 -4.777 2.829 -7.416 1.00 0.00 C ATOM 420 CG ASN A 29 -5.803 2.211 -8.346 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.937 2.682 -8.440 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.409 1.149 -9.040 1.00 0.00 N ATOM 0 H ASN A 29 -2.533 3.231 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.043 4.740 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.956 2.127 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.231 2.999 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.056 0.691 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.460 0.792 -8.931 1.00 0.00 H new ATOM 429 N ASN A 30 -2.393 5.487 -7.089 1.00 0.00 N ATOM 430 CA ASN A 30 -1.668 6.267 -6.094 1.00 0.00 C ATOM 431 C ASN A 30 -1.528 5.488 -4.789 1.00 0.00 C ATOM 432 O ASN A 30 -1.721 6.037 -3.704 1.00 0.00 O ATOM 433 CB ASN A 30 -2.385 7.594 -5.835 1.00 0.00 C ATOM 434 CG ASN A 30 -1.528 8.570 -5.051 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.465 8.510 -3.823 1.00 0.00 O ATOM 436 ND2 ASN A 30 -0.864 9.475 -5.760 1.00 0.00 N ATOM 0 H ASN A 30 -1.918 5.404 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.671 6.471 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.666 8.044 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.308 7.404 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.271 10.158 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.946 9.487 -6.777 1.00 0.00 H new ATOM 443 N ILE A 31 -1.189 4.208 -4.904 1.00 0.00 N ATOM 444 CA ILE A 31 -1.022 3.355 -3.734 1.00 0.00 C ATOM 445 C ILE A 31 0.452 3.189 -3.381 1.00 0.00 C ATOM 446 O ILE A 31 1.300 3.041 -4.262 1.00 0.00 O ATOM 447 CB ILE A 31 -1.644 1.965 -3.958 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.135 2.094 -4.278 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.435 1.087 -2.733 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.823 0.765 -4.499 1.00 0.00 C ATOM 0 H ILE A 31 -1.025 3.739 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.538 3.846 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.148 1.495 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.630 2.618 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.255 2.709 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.880 0.108 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.367 0.972 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.907 1.552 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.877 0.933 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.354 0.247 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.735 0.156 -3.600 1.00 0.00 H new ATOM 462 N LYS A 32 0.752 3.213 -2.088 1.00 0.00 N ATOM 463 CA LYS A 32 2.124 3.062 -1.617 1.00 0.00 C ATOM 464 C LYS A 32 2.490 1.589 -1.470 1.00 0.00 C ATOM 465 O LYS A 32 2.207 0.968 -0.444 1.00 0.00 O ATOM 466 CB LYS A 32 2.306 3.780 -0.277 1.00 0.00 C ATOM 467 CG LYS A 32 2.265 5.293 -0.388 1.00 0.00 C ATOM 468 CD LYS A 32 0.850 5.825 -0.231 1.00 0.00 C ATOM 469 CE LYS A 32 0.505 6.074 1.228 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.594 7.068 1.378 1.00 0.00 N ATOM 0 H LYS A 32 0.063 3.336 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 32 2.787 3.511 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.525 3.453 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.259 3.482 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.907 5.732 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.665 5.599 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.745 6.753 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.143 5.112 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.211 5.135 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.391 6.430 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.799 7.209 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.305 7.972 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.447 6.717 0.898 1.00 0.00 H new ATOM 484 N LEU A 33 3.120 1.035 -2.499 1.00 0.00 N ATOM 485 CA LEU A 33 3.526 -0.366 -2.485 1.00 0.00 C ATOM 486 C LEU A 33 3.945 -0.796 -1.083 1.00 0.00 C ATOM 487 O LEU A 33 3.403 -1.752 -0.528 1.00 0.00 O ATOM 488 CB LEU A 33 4.677 -0.593 -3.466 1.00 0.00 C ATOM 489 CG LEU A 33 4.279 -0.995 -4.887 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.511 -1.329 -5.713 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.318 -2.175 -4.858 1.00 0.00 C ATOM 0 H LEU A 33 3.361 1.535 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 33 2.672 -0.970 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.267 0.322 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.327 -1.368 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 33 3.772 -0.150 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.207 -1.613 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.163 -0.457 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.047 -2.157 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.045 -2.447 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.799 -3.024 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.421 -1.900 -4.304 1.00 0.00 H new ATOM 503 N SER A 34 4.913 -0.084 -0.515 1.00 0.00 N ATOM 504 CA SER A 34 5.406 -0.392 0.823 1.00 0.00 C ATOM 505 C SER A 34 4.249 -0.541 1.807 1.00 0.00 C ATOM 506 O SER A 34 4.259 -1.426 2.661 1.00 0.00 O ATOM 507 CB SER A 34 6.362 0.702 1.302 1.00 0.00 C ATOM 508 OG SER A 34 6.925 0.370 2.559 1.00 0.00 O ATOM 0 H SER A 34 5.372 0.711 -0.961 1.00 0.00 H new ATOM 0 HA SER A 34 5.944 -1.339 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.157 0.842 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.828 1.649 1.378 1.00 0.00 H new ATOM 0 HG SER A 34 7.534 1.083 2.844 1.00 0.00 H new ATOM 514 N GLU A 35 3.256 0.333 1.680 1.00 0.00 N ATOM 515 CA GLU A 35 2.093 0.300 2.559 1.00 0.00 C ATOM 516 C GLU A 35 1.237 -0.933 2.282 1.00 0.00 C ATOM 517 O GLU A 35 0.508 -1.404 3.155 1.00 0.00 O ATOM 518 CB GLU A 35 1.254 1.568 2.379 1.00 0.00 C ATOM 519 CG GLU A 35 1.998 2.844 2.735 1.00 0.00 C ATOM 520 CD GLU A 35 2.443 2.877 4.183 1.00 0.00 C ATOM 521 OE1 GLU A 35 3.405 2.157 4.524 1.00 0.00 O ATOM 522 OE2 GLU A 35 1.830 3.621 4.977 1.00 0.00 O ATOM 0 H GLU A 35 3.233 1.072 0.978 1.00 0.00 H new ATOM 0 HA GLU A 35 2.448 0.251 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.920 1.629 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.360 1.493 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.870 2.943 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.355 3.702 2.537 1.00 0.00 H new ATOM 529 N VAL A 36 1.330 -1.448 1.061 1.00 0.00 N ATOM 530 CA VAL A 36 0.565 -2.625 0.667 1.00 0.00 C ATOM 531 C VAL A 36 1.149 -3.891 1.284 1.00 0.00 C ATOM 532 O VAL A 36 2.278 -4.280 0.979 1.00 0.00 O ATOM 533 CB VAL A 36 0.526 -2.785 -0.864 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.442 -3.888 -1.262 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.149 -1.468 -1.527 1.00 0.00 C ATOM 0 H VAL A 36 1.928 -1.069 0.327 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.451 -2.479 1.035 1.00 0.00 H new ATOM 0 HB VAL A 36 1.521 -3.067 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.456 -3.986 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.123 -4.830 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.442 -3.640 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.126 -1.599 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.835 -1.154 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.885 -0.707 -1.269 1.00 0.00 H new ATOM 545 N VAL A 37 0.375 -4.533 2.153 1.00 0.00 N ATOM 546 CA VAL A 37 0.814 -5.757 2.812 1.00 0.00 C ATOM 547 C VAL A 37 0.904 -6.912 1.822 1.00 0.00 C ATOM 548 O VAL A 37 -0.096 -7.562 1.520 1.00 0.00 O ATOM 549 CB VAL A 37 -0.136 -6.149 3.958 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.331 -7.436 4.623 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.239 -5.023 4.975 1.00 0.00 C ATOM 0 H VAL A 37 -0.561 -4.225 2.417 1.00 0.00 H new ATOM 0 HA VAL A 37 1.804 -5.558 3.223 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.128 -6.322 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.353 -7.697 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.348 -8.240 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.333 -7.294 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.915 -5.318 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.748 -4.816 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.624 -4.127 4.488 1.00 0.00 H new ATOM 561 N GLY A 38 2.108 -7.163 1.320 1.00 0.00 N ATOM 562 CA GLY A 38 2.307 -8.241 0.369 1.00 0.00 C ATOM 563 C GLY A 38 1.805 -9.573 0.889 1.00 0.00 C ATOM 564 O GLY A 38 1.529 -9.718 2.081 1.00 0.00 O ATOM 0 H GLY A 38 2.951 -6.639 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.792 -8.000 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.368 -8.323 0.134 1.00 0.00 H new ATOM 568 N SER A 39 1.684 -10.549 -0.004 1.00 0.00 N ATOM 569 CA SER A 39 1.205 -11.875 0.370 1.00 0.00 C ATOM 570 C SER A 39 2.228 -12.945 0.003 1.00 0.00 C ATOM 571 O SER A 39 2.444 -13.897 0.751 1.00 0.00 O ATOM 572 CB SER A 39 -0.129 -12.171 -0.315 1.00 0.00 C ATOM 573 OG SER A 39 -0.907 -13.075 0.451 1.00 0.00 O ATOM 0 H SER A 39 1.911 -10.447 -0.993 1.00 0.00 H new ATOM 0 HA SER A 39 1.061 -11.891 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.681 -11.242 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.052 -12.590 -1.305 1.00 0.00 H new ATOM 0 HG SER A 39 -1.756 -13.246 -0.008 1.00 0.00 H new ATOM 579 N GLY A 40 2.855 -12.781 -1.159 1.00 0.00 N ATOM 580 CA GLY A 40 3.848 -13.741 -1.607 1.00 0.00 C ATOM 581 C GLY A 40 4.687 -14.283 -0.467 1.00 0.00 C ATOM 582 O GLY A 40 4.841 -13.630 0.566 1.00 0.00 O ATOM 0 H GLY A 40 2.693 -12.002 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.348 -14.568 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.500 -13.268 -2.341 1.00 0.00 H new ATOM 586 N LYS A 41 5.230 -15.481 -0.653 1.00 0.00 N ATOM 587 CA LYS A 41 6.058 -16.113 0.368 1.00 0.00 C ATOM 588 C LYS A 41 7.137 -15.154 0.863 1.00 0.00 C ATOM 589 O LYS A 41 7.230 -14.874 2.058 1.00 0.00 O ATOM 590 CB LYS A 41 6.705 -17.384 -0.186 1.00 0.00 C ATOM 591 CG LYS A 41 7.606 -18.091 0.812 1.00 0.00 C ATOM 592 CD LYS A 41 6.802 -18.758 1.915 1.00 0.00 C ATOM 593 CE LYS A 41 6.325 -20.141 1.500 1.00 0.00 C ATOM 594 NZ LYS A 41 5.044 -20.083 0.743 1.00 0.00 N ATOM 0 H LYS A 41 5.112 -16.034 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 41 5.417 -16.376 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.922 -18.071 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.287 -17.129 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.206 -18.839 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.300 -17.373 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.413 -18.838 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.943 -18.136 2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.088 -20.619 0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.195 -20.761 2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.391 -20.805 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.617 -19.141 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.228 -20.262 -0.265 1.00 0.00 H new ATOM 608 N ASP A 42 7.947 -14.656 -0.063 1.00 0.00 N ATOM 609 CA ASP A 42 9.019 -13.726 0.279 1.00 0.00 C ATOM 610 C ASP A 42 8.492 -12.298 0.364 1.00 0.00 C ATOM 611 O ASP A 42 9.170 -11.351 -0.032 1.00 0.00 O ATOM 612 CB ASP A 42 10.143 -13.808 -0.755 1.00 0.00 C ATOM 613 CG ASP A 42 10.870 -15.137 -0.716 1.00 0.00 C ATOM 614 OD1 ASP A 42 11.081 -15.665 0.396 1.00 0.00 O ATOM 615 OD2 ASP A 42 11.229 -15.649 -1.797 1.00 0.00 O ATOM 0 H ASP A 42 7.883 -14.880 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 42 9.413 -14.007 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.728 -13.653 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.855 -13.002 -0.578 1.00 0.00 H new ATOM 620 N GLY A 43 7.277 -12.150 0.884 1.00 0.00 N ATOM 621 CA GLY A 43 6.679 -10.834 1.011 1.00 0.00 C ATOM 622 C GLY A 43 6.304 -10.235 -0.331 1.00 0.00 C ATOM 623 O GLY A 43 5.774 -9.126 -0.396 1.00 0.00 O ATOM 0 H GLY A 43 6.696 -12.918 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.789 -10.902 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.377 -10.169 1.520 1.00 0.00 H new ATOM 627 N ARG A 44 6.583 -10.970 -1.403 1.00 0.00 N ATOM 628 CA ARG A 44 6.274 -10.503 -2.749 1.00 0.00 C ATOM 629 C ARG A 44 4.813 -10.074 -2.854 1.00 0.00 C ATOM 630 O ARG A 44 3.904 -10.891 -2.711 1.00 0.00 O ATOM 631 CB ARG A 44 6.568 -11.603 -3.772 1.00 0.00 C ATOM 632 CG ARG A 44 6.370 -11.162 -5.214 1.00 0.00 C ATOM 633 CD ARG A 44 6.602 -12.309 -6.183 1.00 0.00 C ATOM 634 NE ARG A 44 7.978 -12.796 -6.138 1.00 0.00 N ATOM 635 CZ ARG A 44 8.339 -14.014 -6.524 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.432 -14.865 -6.984 1.00 0.00 N ATOM 637 NH2 ARG A 44 9.612 -14.383 -6.453 1.00 0.00 N ATOM 0 H ARG A 44 7.022 -11.890 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 44 6.904 -9.639 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.596 -11.943 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.922 -12.457 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.359 -10.775 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.055 -10.346 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.921 -13.126 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.367 -11.981 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 44 8.701 -12.166 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.453 -14.585 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.713 -15.800 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.313 -13.731 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.889 -15.319 -6.750 1.00 0.00 H new ATOM 651 N ILE A 45 4.598 -8.786 -3.104 1.00 0.00 N ATOM 652 CA ILE A 45 3.249 -8.249 -3.229 1.00 0.00 C ATOM 653 C ILE A 45 2.576 -8.740 -4.506 1.00 0.00 C ATOM 654 O ILE A 45 3.151 -8.662 -5.593 1.00 0.00 O ATOM 655 CB ILE A 45 3.253 -6.709 -3.224 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.044 -6.184 -2.024 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.829 -6.175 -3.202 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.645 -4.813 -2.249 1.00 0.00 C ATOM 0 H ILE A 45 5.340 -8.096 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 45 2.687 -8.606 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 45 3.737 -6.358 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.387 -6.146 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.843 -6.888 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.849 -5.085 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.295 -6.525 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.321 -6.531 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.191 -4.504 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.328 -4.850 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.850 -4.096 -2.454 1.00 0.00 H new ATOM 670 N LEU A 46 1.355 -9.246 -4.368 1.00 0.00 N ATOM 671 CA LEU A 46 0.603 -9.749 -5.513 1.00 0.00 C ATOM 672 C LEU A 46 -0.501 -8.774 -5.910 1.00 0.00 C ATOM 673 O LEU A 46 -0.790 -7.818 -5.188 1.00 0.00 O ATOM 674 CB LEU A 46 -0.001 -11.116 -5.190 1.00 0.00 C ATOM 675 CG LEU A 46 0.986 -12.200 -4.755 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.256 -13.503 -4.469 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.053 -12.407 -5.820 1.00 0.00 C ATOM 0 H LEU A 46 0.865 -9.319 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 46 1.291 -9.851 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.740 -10.987 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.536 -11.472 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 46 1.475 -11.873 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.975 -14.263 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.470 -13.346 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.260 -13.836 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.747 -13.182 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.581 -12.712 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.597 -11.475 -5.976 1.00 0.00 H new ATOM 689 N LYS A 47 -1.117 -9.022 -7.061 1.00 0.00 N ATOM 690 CA LYS A 47 -2.191 -8.170 -7.554 1.00 0.00 C ATOM 691 C LYS A 47 -3.334 -8.095 -6.545 1.00 0.00 C ATOM 692 O LYS A 47 -3.909 -7.031 -6.323 1.00 0.00 O ATOM 693 CB LYS A 47 -2.714 -8.694 -8.893 1.00 0.00 C ATOM 694 CG LYS A 47 -4.025 -8.061 -9.324 1.00 0.00 C ATOM 695 CD LYS A 47 -4.221 -8.155 -10.829 1.00 0.00 C ATOM 696 CE LYS A 47 -5.627 -7.737 -11.235 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.782 -7.681 -12.715 1.00 0.00 N ATOM 0 H LYS A 47 -0.890 -9.808 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.788 -7.167 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.963 -8.514 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.847 -9.774 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.853 -8.556 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.043 -7.015 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.492 -7.520 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.035 -9.177 -11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.349 -8.440 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.853 -6.760 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.753 -7.393 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.110 -6.991 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.591 -8.620 -13.120 1.00 0.00 H new ATOM 711 N GLU A 48 -3.654 -9.233 -5.936 1.00 0.00 N ATOM 712 CA GLU A 48 -4.727 -9.296 -4.951 1.00 0.00 C ATOM 713 C GLU A 48 -4.531 -8.241 -3.866 1.00 0.00 C ATOM 714 O GLU A 48 -5.430 -7.446 -3.589 1.00 0.00 O ATOM 715 CB GLU A 48 -4.789 -10.687 -4.319 1.00 0.00 C ATOM 716 CG GLU A 48 -4.915 -11.812 -5.333 1.00 0.00 C ATOM 717 CD GLU A 48 -5.651 -13.016 -4.781 1.00 0.00 C ATOM 718 OE1 GLU A 48 -5.057 -13.753 -3.966 1.00 0.00 O ATOM 719 OE2 GLU A 48 -6.823 -13.222 -5.162 1.00 0.00 O ATOM 0 H GLU A 48 -3.186 -10.123 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.668 -9.096 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.891 -10.846 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.637 -10.729 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.439 -11.444 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.920 -12.117 -5.657 1.00 0.00 H new ATOM 726 N ASP A 49 -3.352 -8.241 -3.255 1.00 0.00 N ATOM 727 CA ASP A 49 -3.037 -7.284 -2.200 1.00 0.00 C ATOM 728 C ASP A 49 -3.535 -5.889 -2.565 1.00 0.00 C ATOM 729 O ASP A 49 -4.181 -5.219 -1.759 1.00 0.00 O ATOM 730 CB ASP A 49 -1.529 -7.250 -1.946 1.00 0.00 C ATOM 731 CG ASP A 49 -0.985 -8.596 -1.509 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.739 -9.361 -0.871 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.194 -8.884 -1.805 1.00 0.00 O ATOM 0 H ASP A 49 -2.598 -8.893 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.544 -7.605 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.018 -6.932 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.309 -6.506 -1.180 1.00 0.00 H new ATOM 738 N ILE A 50 -3.229 -5.458 -3.785 1.00 0.00 N ATOM 739 CA ILE A 50 -3.646 -4.143 -4.256 1.00 0.00 C ATOM 740 C ILE A 50 -5.147 -3.943 -4.073 1.00 0.00 C ATOM 741 O ILE A 50 -5.583 -2.990 -3.427 1.00 0.00 O ATOM 742 CB ILE A 50 -3.290 -3.938 -5.740 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.781 -4.080 -5.950 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.771 -2.576 -6.217 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.002 -2.833 -5.591 1.00 0.00 C ATOM 0 H ILE A 50 -2.694 -6.000 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.108 -3.408 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.793 -4.706 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.415 -4.913 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.589 -4.331 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.512 -2.446 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.853 -2.510 -6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.294 -1.794 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.060 -3.005 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.341 -2.002 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.164 -2.593 -4.540 1.00 0.00 H new ATOM 757 N LEU A 51 -5.933 -4.850 -4.642 1.00 0.00 N ATOM 758 CA LEU A 51 -7.386 -4.776 -4.541 1.00 0.00 C ATOM 759 C LEU A 51 -7.828 -4.714 -3.083 1.00 0.00 C ATOM 760 O LEU A 51 -8.942 -4.293 -2.778 1.00 0.00 O ATOM 761 CB LEU A 51 -8.027 -5.982 -5.229 1.00 0.00 C ATOM 762 CG LEU A 51 -7.883 -6.043 -6.751 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.142 -7.453 -7.255 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.830 -5.054 -7.415 1.00 0.00 C ATOM 0 H LEU A 51 -5.588 -5.646 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.714 -3.864 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.594 -6.889 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.089 -5.992 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.861 -5.769 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.035 -7.477 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.424 -8.138 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.153 -7.757 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.715 -5.110 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.858 -5.298 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.597 -4.044 -7.077 1.00 0.00 H new ATOM 776 N ASN A 52 -6.943 -5.135 -2.184 1.00 0.00 N ATOM 777 CA ASN A 52 -7.241 -5.126 -0.755 1.00 0.00 C ATOM 778 C ASN A 52 -6.792 -3.816 -0.115 1.00 0.00 C ATOM 779 O ASN A 52 -7.245 -3.459 0.973 1.00 0.00 O ATOM 780 CB ASN A 52 -6.556 -6.306 -0.063 1.00 0.00 C ATOM 781 CG ASN A 52 -7.165 -7.639 -0.456 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.381 -7.761 -0.598 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.317 -8.647 -0.633 1.00 0.00 N ATOM 0 H ASN A 52 -6.015 -5.486 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.320 -5.219 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.495 -6.306 -0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.627 -6.181 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.667 -9.568 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.316 -8.500 -0.504 1.00 0.00 H new ATOM 790 N TYR A 53 -5.902 -3.105 -0.797 1.00 0.00 N ATOM 791 CA TYR A 53 -5.391 -1.836 -0.294 1.00 0.00 C ATOM 792 C TYR A 53 -6.362 -0.699 -0.597 1.00 0.00 C ATOM 793 O TYR A 53 -6.491 0.248 0.180 1.00 0.00 O ATOM 794 CB TYR A 53 -4.024 -1.532 -0.911 1.00 0.00 C ATOM 795 CG TYR A 53 -3.448 -0.202 -0.480 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.937 0.991 -1.000 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.414 -0.138 0.446 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.412 2.208 -0.609 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.885 1.074 0.844 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.387 2.245 0.314 1.00 0.00 C ATOM 801 OH TYR A 53 -1.861 3.454 0.706 1.00 0.00 O ATOM 0 H TYR A 53 -5.519 -3.386 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.284 -1.920 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.328 -2.325 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.114 -1.545 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.740 0.966 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.017 -1.052 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.802 3.126 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.083 1.105 1.566 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.148 3.304 1.361 1.00 0.00 H new ATOM 811 N LEU A 54 -7.046 -0.800 -1.733 1.00 0.00 N ATOM 812 CA LEU A 54 -8.007 0.219 -2.140 1.00 0.00 C ATOM 813 C LEU A 54 -9.246 0.185 -1.250 1.00 0.00 C ATOM 814 O LEU A 54 -9.817 1.225 -0.926 1.00 0.00 O ATOM 815 CB LEU A 54 -8.408 0.014 -3.601 1.00 0.00 C ATOM 816 CG LEU A 54 -7.323 0.295 -4.641 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.520 -0.579 -5.870 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.322 1.767 -5.027 1.00 0.00 C ATOM 0 H LEU A 54 -6.952 -1.577 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.533 1.195 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.743 -1.016 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.263 0.655 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.355 0.054 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.738 -0.364 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.469 -1.629 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.494 -0.371 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.543 1.948 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.292 2.034 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.130 2.375 -4.143 1.00 0.00 H new ATOM 830 N GLU A 55 -9.654 -1.018 -0.861 1.00 0.00 N ATOM 831 CA GLU A 55 -10.825 -1.187 -0.007 1.00 0.00 C ATOM 832 C GLU A 55 -10.574 -0.609 1.382 1.00 0.00 C ATOM 833 O GLU A 55 -11.507 -0.209 2.079 1.00 0.00 O ATOM 834 CB GLU A 55 -11.194 -2.668 0.104 1.00 0.00 C ATOM 835 CG GLU A 55 -10.252 -3.465 0.991 1.00 0.00 C ATOM 836 CD GLU A 55 -10.907 -4.701 1.575 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.796 -5.274 0.910 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.530 -5.096 2.699 1.00 0.00 O ATOM 0 H GLU A 55 -9.193 -1.889 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.655 -0.646 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.208 -2.753 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.200 -3.108 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.377 -3.761 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.897 -2.829 1.802 1.00 0.00 H new ATOM 845 N LYS A 56 -9.307 -0.567 1.779 1.00 0.00 N ATOM 846 CA LYS A 56 -8.930 -0.037 3.085 1.00 0.00 C ATOM 847 C LYS A 56 -8.614 1.452 2.997 1.00 0.00 C ATOM 848 O LYS A 56 -8.945 2.219 3.900 1.00 0.00 O ATOM 849 CB LYS A 56 -7.719 -0.794 3.635 1.00 0.00 C ATOM 850 CG LYS A 56 -8.017 -2.240 3.995 1.00 0.00 C ATOM 851 CD LYS A 56 -6.832 -2.900 4.680 1.00 0.00 C ATOM 852 CE LYS A 56 -6.853 -2.660 6.182 1.00 0.00 C ATOM 853 NZ LYS A 56 -5.942 -3.591 6.905 1.00 0.00 N ATOM 0 H LYS A 56 -8.523 -0.894 1.215 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.774 -0.172 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.919 -0.770 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.349 -0.277 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.887 -2.281 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.272 -2.795 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.846 -3.972 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.904 -2.510 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.560 -1.631 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.870 -2.783 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.985 -3.396 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.237 -4.573 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.968 -3.456 6.567 1.00 0.00 H new ATOM 867 N GLN A 57 -7.975 1.854 1.903 1.00 0.00 N ATOM 868 CA GLN A 57 -7.617 3.253 1.699 1.00 0.00 C ATOM 869 C GLN A 57 -8.863 4.126 1.606 1.00 0.00 C ATOM 870 O GLN A 57 -8.844 5.297 1.986 1.00 0.00 O ATOM 871 CB GLN A 57 -6.777 3.404 0.429 1.00 0.00 C ATOM 872 CG GLN A 57 -7.603 3.657 -0.821 1.00 0.00 C ATOM 873 CD GLN A 57 -6.747 3.874 -2.053 1.00 0.00 C ATOM 874 OE1 GLN A 57 -5.991 2.991 -2.460 1.00 0.00 O ATOM 875 NE2 GLN A 57 -6.863 5.051 -2.656 1.00 0.00 N ATOM 0 H GLN A 57 -7.695 1.232 1.145 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.030 3.582 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.075 4.227 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.184 2.500 0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.268 2.810 -0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.235 4.531 -0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.502 5.754 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.313 5.253 -3.491 1.00 0.00 H new ATOM 884 N THR A 58 -9.947 3.549 1.096 1.00 0.00 N ATOM 885 CA THR A 58 -11.203 4.275 0.952 1.00 0.00 C ATOM 886 C THR A 58 -11.836 4.553 2.311 1.00 0.00 C ATOM 887 O THR A 58 -12.422 5.614 2.528 1.00 0.00 O ATOM 888 CB THR A 58 -12.206 3.496 0.080 1.00 0.00 C ATOM 889 OG1 THR A 58 -12.396 2.179 0.611 1.00 0.00 O ATOM 890 CG2 THR A 58 -11.716 3.402 -1.356 1.00 0.00 C ATOM 0 H THR A 58 -9.980 2.581 0.776 1.00 0.00 H new ATOM 0 HA THR A 58 -10.967 5.221 0.464 1.00 0.00 H new ATOM 0 HB THR A 58 -13.155 4.032 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.694 1.585 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.441 2.848 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.599 4.405 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.756 2.886 -1.380 1.00 0.00 H new ATOM 898 N GLY A 59 -11.715 3.594 3.223 1.00 0.00 N ATOM 899 CA GLY A 59 -12.281 3.756 4.550 1.00 0.00 C ATOM 900 C GLY A 59 -11.225 4.042 5.599 1.00 0.00 C ATOM 901 O GLY A 59 -11.122 3.328 6.596 1.00 0.00 O ATOM 0 H GLY A 59 -11.235 2.707 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.005 4.571 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.824 2.851 4.823 1.00 0.00 H new ATOM 905 N ALA A 60 -10.437 5.089 5.374 1.00 0.00 N ATOM 906 CA ALA A 60 -9.385 5.467 6.309 1.00 0.00 C ATOM 907 C ALA A 60 -9.715 6.785 7.003 1.00 0.00 C ATOM 908 O ALA A 60 -10.569 7.543 6.543 1.00 0.00 O ATOM 909 CB ALA A 60 -8.050 5.570 5.587 1.00 0.00 C ATOM 0 H ALA A 60 -10.508 5.690 4.553 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.315 4.692 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.273 5.853 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.802 4.606 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.117 6.325 4.803 1.00 0.00 H new ATOM 915 N ILE A 61 -9.034 7.049 8.113 1.00 0.00 N ATOM 916 CA ILE A 61 -9.254 8.276 8.869 1.00 0.00 C ATOM 917 C ILE A 61 -10.708 8.726 8.774 1.00 0.00 C ATOM 918 O ILE A 61 -10.992 9.912 8.597 1.00 0.00 O ATOM 919 CB ILE A 61 -8.342 9.414 8.375 1.00 0.00 C ATOM 920 CG1 ILE A 61 -8.688 9.784 6.932 1.00 0.00 C ATOM 921 CG2 ILE A 61 -6.881 9.008 8.489 1.00 0.00 C ATOM 922 CD1 ILE A 61 -8.440 11.240 6.605 1.00 0.00 C ATOM 0 H ILE A 61 -8.326 6.430 8.509 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.012 8.054 9.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.505 10.290 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.101 9.163 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.737 9.552 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.248 9.823 8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.644 8.790 9.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.702 8.120 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.707 11.430 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.048 11.868 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.386 11.473 6.757 1.00 0.00 H new ATOM 934 N LEU A 62 -11.625 7.773 8.893 1.00 0.00 N ATOM 935 CA LEU A 62 -13.052 8.071 8.823 1.00 0.00 C ATOM 936 C LEU A 62 -13.467 9.016 9.947 1.00 0.00 C ATOM 937 O LEU A 62 -12.962 8.947 11.067 1.00 0.00 O ATOM 938 CB LEU A 62 -13.868 6.779 8.900 1.00 0.00 C ATOM 939 CG LEU A 62 -14.070 6.034 7.581 1.00 0.00 C ATOM 940 CD1 LEU A 62 -14.464 4.588 7.839 1.00 0.00 C ATOM 941 CD2 LEU A 62 -15.122 6.731 6.730 1.00 0.00 C ATOM 0 H LEU A 62 -11.407 6.787 9.038 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.249 8.561 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.379 6.105 9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.848 7.016 9.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.127 6.040 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.603 4.074 6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -13.677 4.092 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.394 4.560 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.253 6.187 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -16.068 6.757 7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.799 7.750 6.515 1.00 0.00 H new ATOM 953 N PRO A 63 -14.412 9.919 9.643 1.00 0.00 N ATOM 954 CA PRO A 63 -14.918 10.892 10.614 1.00 0.00 C ATOM 955 C PRO A 63 -15.756 10.238 11.708 1.00 0.00 C ATOM 956 O PRO A 63 -16.267 9.129 11.552 1.00 0.00 O ATOM 957 CB PRO A 63 -15.783 11.825 9.764 1.00 0.00 C ATOM 958 CG PRO A 63 -16.201 10.996 8.598 1.00 0.00 C ATOM 959 CD PRO A 63 -15.059 10.057 8.327 1.00 0.00 C ATOM 0 HA PRO A 63 -14.110 11.400 11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.646 12.184 10.324 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.222 12.703 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.115 10.445 8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.407 11.621 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.409 9.097 7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.374 10.462 7.583 1.00 0.00 H new ATOM 967 N PRO A 64 -15.902 10.940 12.841 1.00 0.00 N ATOM 968 CA PRO A 64 -16.678 10.447 13.983 1.00 0.00 C ATOM 969 C PRO A 64 -18.176 10.414 13.695 1.00 0.00 C ATOM 970 O PRO A 64 -18.930 9.706 14.362 1.00 0.00 O ATOM 971 CB PRO A 64 -16.368 11.460 15.088 1.00 0.00 C ATOM 972 CG PRO A 64 -16.000 12.709 14.364 1.00 0.00 C ATOM 973 CD PRO A 64 -15.320 12.268 13.097 1.00 0.00 C ATOM 0 HA PRO A 64 -16.415 9.421 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.231 11.617 15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.552 11.116 15.723 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.884 13.308 14.144 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.337 13.329 14.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.515 12.957 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.238 12.216 13.219 1.00 0.00 H new ATOM 981 N SER A 65 -18.598 11.185 12.699 1.00 0.00 N ATOM 982 CA SER A 65 -20.006 11.247 12.325 1.00 0.00 C ATOM 983 C SER A 65 -20.349 10.158 11.313 1.00 0.00 C ATOM 984 O SER A 65 -19.945 10.225 10.152 1.00 0.00 O ATOM 985 CB SER A 65 -20.341 12.622 11.744 1.00 0.00 C ATOM 986 OG SER A 65 -21.741 12.840 11.723 1.00 0.00 O ATOM 0 H SER A 65 -17.986 11.775 12.136 1.00 0.00 H new ATOM 0 HA SER A 65 -20.602 11.084 13.223 1.00 0.00 H new ATOM 0 HB2 SER A 65 -19.858 13.398 12.337 1.00 0.00 H new ATOM 0 HB3 SER A 65 -19.943 12.700 10.732 1.00 0.00 H new ATOM 0 HG SER A 65 -21.929 13.726 11.349 1.00 0.00 H new ATOM 992 N GLY A 66 -21.095 9.155 11.763 1.00 0.00 N ATOM 993 CA GLY A 66 -21.480 8.064 10.886 1.00 0.00 C ATOM 994 C GLY A 66 -21.883 6.819 11.650 1.00 0.00 C ATOM 995 O GLY A 66 -23.050 6.628 11.996 1.00 0.00 O ATOM 0 H GLY A 66 -21.440 9.078 12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -22.310 8.384 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.649 7.826 10.222 1.00 0.00 H new ATOM 999 N PRO A 67 -20.904 5.946 11.925 1.00 0.00 N ATOM 1000 CA PRO A 67 -21.139 4.696 12.655 1.00 0.00 C ATOM 1001 C PRO A 67 -21.470 4.938 14.125 1.00 0.00 C ATOM 1002 O PRO A 67 -22.269 4.213 14.718 1.00 0.00 O ATOM 1003 CB PRO A 67 -19.809 3.951 12.522 1.00 0.00 C ATOM 1004 CG PRO A 67 -18.794 5.022 12.315 1.00 0.00 C ATOM 1005 CD PRO A 67 -19.490 6.109 11.544 1.00 0.00 C ATOM 0 HA PRO A 67 -21.992 4.146 12.258 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -19.591 3.367 13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -19.827 3.255 11.683 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -18.422 5.397 13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.933 4.643 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.113 7.096 11.812 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -19.348 5.994 10.469 1.00 0.00 H new ATOM 1013 N SER A 68 -20.850 5.959 14.706 1.00 0.00 N ATOM 1014 CA SER A 68 -21.076 6.294 16.107 1.00 0.00 C ATOM 1015 C SER A 68 -22.477 6.865 16.310 1.00 0.00 C ATOM 1016 O SER A 68 -23.120 7.313 15.361 1.00 0.00 O ATOM 1017 CB SER A 68 -20.029 7.300 16.589 1.00 0.00 C ATOM 1018 OG SER A 68 -20.219 7.618 17.957 1.00 0.00 O ATOM 0 H SER A 68 -20.187 6.569 14.228 1.00 0.00 H new ATOM 0 HA SER A 68 -20.986 5.379 16.692 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.030 6.888 16.443 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.090 8.208 15.989 1.00 0.00 H new ATOM 0 HG SER A 68 -19.536 8.261 18.241 1.00 0.00 H new ATOM 1024 N SER A 69 -22.943 6.843 17.555 1.00 0.00 N ATOM 1025 CA SER A 69 -24.270 7.353 17.883 1.00 0.00 C ATOM 1026 C SER A 69 -24.184 8.779 18.420 1.00 0.00 C ATOM 1027 O SER A 69 -23.158 9.192 18.957 1.00 0.00 O ATOM 1028 CB SER A 69 -24.947 6.447 18.913 1.00 0.00 C ATOM 1029 OG SER A 69 -26.123 7.049 19.425 1.00 0.00 O ATOM 0 H SER A 69 -22.422 6.478 18.352 1.00 0.00 H new ATOM 0 HA SER A 69 -24.866 7.362 16.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 -25.195 5.490 18.454 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.256 6.239 19.730 1.00 0.00 H new ATOM 0 HG SER A 69 -26.539 6.450 20.080 1.00 0.00 H new ATOM 1035 N GLY A 70 -25.274 9.526 18.271 1.00 0.00 N ATOM 1036 CA GLY A 70 -25.303 10.897 18.745 1.00 0.00 C ATOM 1037 C GLY A 70 -25.740 11.873 17.671 1.00 0.00 C ATOM 1038 O GLY A 70 -26.285 12.935 17.972 1.00 0.00 O ATOM 0 H GLY A 70 -26.137 9.206 17.831 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.981 10.970 19.595 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.312 11.175 19.103 1.00 0.00 H new TER 1042 GLY A 70