USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 579 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 MET CE :methyl 158:sc= -0.13 (180deg=-0.966) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0 (180deg=-1.68) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.0445 (180deg=-0.314) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 39 HIS : no HE2:sc= -1.97 X(o=-2,f=-1.6) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.1!) USER MOD Single : A 62 ASN : amide:sc= 0.0271 X(o=0.027,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0564 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.045 -9.114 3.269 1.00 0.00 N ATOM 2 CA MET A 1 0.744 -8.793 2.614 1.00 0.00 C ATOM 3 C MET A 1 -0.046 -7.773 3.436 1.00 0.00 C ATOM 4 O MET A 1 -1.207 -8.001 3.784 1.00 0.00 O ATOM 5 CB MET A 1 -0.056 -10.094 2.452 1.00 0.00 C ATOM 6 CG MET A 1 0.156 -10.774 1.109 1.00 0.00 C ATOM 7 SD MET A 1 -1.190 -11.899 0.678 1.00 0.00 S ATOM 8 CE MET A 1 -0.287 -13.424 0.413 1.00 0.00 C ATOM 0 H1 MET A 1 2.319 -10.090 3.037 1.00 0.00 H new ATOM 0 H2 MET A 1 2.777 -8.458 2.928 1.00 0.00 H new ATOM 0 H3 MET A 1 1.948 -9.018 4.300 1.00 0.00 H new ATOM 0 HA MET A 1 0.929 -8.349 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.224 -10.784 3.248 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.117 -9.877 2.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.252 -10.015 0.333 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.094 -11.328 1.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.963 -14.272 0.527 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.134 -13.428 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.518 -13.502 1.144 1.00 0.00 H new ATOM 20 N GLU A 2 0.596 -6.646 3.747 1.00 0.00 N ATOM 21 CA GLU A 2 -0.039 -5.592 4.536 1.00 0.00 C ATOM 22 C GLU A 2 0.400 -4.203 4.073 1.00 0.00 C ATOM 23 O GLU A 2 1.338 -4.065 3.285 1.00 0.00 O ATOM 24 CB GLU A 2 0.296 -5.769 6.021 1.00 0.00 C ATOM 25 CG GLU A 2 0.168 -7.203 6.510 1.00 0.00 C ATOM 26 CD GLU A 2 0.547 -7.361 7.971 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.656 -6.925 8.350 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.266 -7.920 8.737 1.00 0.00 O ATOM 0 H GLU A 2 1.554 -6.441 3.464 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.116 -5.675 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.315 -5.424 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.363 -5.133 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.858 -7.541 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.803 -7.848 5.903 1.00 0.00 H new ATOM 35 N TRP A 3 -0.292 -3.181 4.579 1.00 0.00 N ATOM 36 CA TRP A 3 0.005 -1.794 4.242 1.00 0.00 C ATOM 37 C TRP A 3 -0.480 -0.863 5.357 1.00 0.00 C ATOM 38 O TRP A 3 -1.531 -1.098 5.950 1.00 0.00 O ATOM 39 CB TRP A 3 -0.656 -1.412 2.910 1.00 0.00 C ATOM 40 CG TRP A 3 0.160 -0.468 2.076 1.00 0.00 C ATOM 41 CD1 TRP A 3 1.308 0.171 2.448 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.109 -0.055 0.729 1.00 0.00 C ATOM 43 NE1 TRP A 3 1.770 0.950 1.418 1.00 0.00 N ATOM 44 CE2 TRP A 3 0.919 0.832 0.353 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.114 -0.348 -0.199 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.970 1.427 -0.905 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.060 0.245 -1.448 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.025 1.123 -1.790 1.00 0.00 C ATOM 0 H TRP A 3 -1.069 -3.293 5.230 1.00 0.00 H new ATOM 0 HA TRP A 3 1.085 -1.687 4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.844 -2.319 2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.625 -0.957 3.114 1.00 0.00 H new ATOM 0 HD1 TRP A 3 1.783 0.077 3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.612 1.525 1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.917 -1.024 0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.768 2.105 -1.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.831 0.026 -2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.013 1.569 -2.773 1.00 0.00 H new ATOM 59 N LYS A 4 0.289 0.186 5.636 1.00 0.00 N ATOM 60 CA LYS A 4 -0.067 1.156 6.673 1.00 0.00 C ATOM 61 C LYS A 4 0.236 2.572 6.195 1.00 0.00 C ATOM 62 O LYS A 4 1.197 2.784 5.459 1.00 0.00 O ATOM 63 CB LYS A 4 0.696 0.861 7.965 1.00 0.00 C ATOM 64 CG LYS A 4 -0.147 0.177 9.029 1.00 0.00 C ATOM 65 CD LYS A 4 0.703 -0.292 10.202 1.00 0.00 C ATOM 66 CE LYS A 4 1.322 -1.657 9.937 1.00 0.00 C ATOM 67 NZ LYS A 4 0.299 -2.742 9.904 1.00 0.00 N ATOM 0 H LYS A 4 1.167 0.388 5.157 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.135 1.073 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.555 0.231 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.086 1.796 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.912 0.866 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.665 -0.676 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.492 0.435 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.089 -0.339 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.856 -1.634 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.058 -1.877 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.759 -3.658 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.415 -2.568 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.161 -2.757 8.971 1.00 0.00 H new ATOM 81 N LEU A 5 -0.581 3.541 6.604 1.00 0.00 N ATOM 82 CA LEU A 5 -0.365 4.927 6.191 1.00 0.00 C ATOM 83 C LEU A 5 -0.841 5.919 7.252 1.00 0.00 C ATOM 84 O LEU A 5 -1.583 5.561 8.167 1.00 0.00 O ATOM 85 CB LEU A 5 -1.081 5.194 4.860 1.00 0.00 C ATOM 86 CG LEU A 5 -0.381 6.191 3.929 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.537 5.763 2.477 1.00 0.00 C ATOM 88 CD2 LEU A 5 -0.925 7.598 4.134 1.00 0.00 C ATOM 0 H LEU A 5 -1.387 3.396 7.212 1.00 0.00 H new ATOM 0 HA LEU A 5 0.708 5.072 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.196 4.248 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.084 5.564 5.073 1.00 0.00 H new ATOM 0 HG LEU A 5 0.681 6.199 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.034 6.482 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.093 4.777 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.596 5.723 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.413 8.287 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.994 7.610 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.758 7.906 5.166 1.00 0.00 H new ATOM 100 N PHE A 6 -0.406 7.170 7.116 1.00 0.00 N ATOM 101 CA PHE A 6 -0.792 8.230 8.049 1.00 0.00 C ATOM 102 C PHE A 6 -2.128 8.856 7.628 1.00 0.00 C ATOM 103 O PHE A 6 -2.718 8.454 6.622 1.00 0.00 O ATOM 104 CB PHE A 6 0.304 9.303 8.111 1.00 0.00 C ATOM 105 CG PHE A 6 0.383 10.008 9.437 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.446 9.287 10.619 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.387 11.393 9.500 1.00 0.00 C ATOM 108 CE1 PHE A 6 0.513 9.932 11.838 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.456 12.044 10.716 1.00 0.00 C ATOM 110 CZ PHE A 6 0.518 11.314 11.887 1.00 0.00 C ATOM 0 H PHE A 6 0.215 7.476 6.367 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.914 7.794 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.267 8.839 7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.124 10.039 7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.443 8.208 10.586 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.336 11.969 8.588 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.561 9.358 12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.461 13.123 10.751 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.570 11.822 12.839 1.00 0.00 H new ATOM 120 N ALA A 7 -2.605 9.841 8.399 1.00 0.00 N ATOM 121 CA ALA A 7 -3.873 10.514 8.092 1.00 0.00 C ATOM 122 C ALA A 7 -3.828 11.255 6.753 1.00 0.00 C ATOM 123 O ALA A 7 -4.872 11.649 6.230 1.00 0.00 O ATOM 124 CB ALA A 7 -4.255 11.480 9.202 1.00 0.00 C ATOM 0 H ALA A 7 -2.135 10.188 9.235 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.631 9.734 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.198 11.967 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.366 10.933 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.476 12.234 9.312 1.00 0.00 H new ATOM 130 N ASP A 8 -2.627 11.439 6.197 1.00 0.00 N ATOM 131 CA ASP A 8 -2.468 12.124 4.912 1.00 0.00 C ATOM 132 C ASP A 8 -3.412 11.533 3.862 1.00 0.00 C ATOM 133 O ASP A 8 -3.924 12.250 3.002 1.00 0.00 O ATOM 134 CB ASP A 8 -1.017 12.024 4.427 1.00 0.00 C ATOM 135 CG ASP A 8 -0.102 13.039 5.091 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.182 13.196 6.330 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.700 13.673 4.374 1.00 0.00 O ATOM 0 H ASP A 8 -1.752 11.124 6.616 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.721 13.175 5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.641 11.020 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.989 12.169 3.347 1.00 0.00 H new ATOM 142 N LEU A 9 -3.639 10.221 3.946 1.00 0.00 N ATOM 143 CA LEU A 9 -4.527 9.529 3.016 1.00 0.00 C ATOM 144 C LEU A 9 -5.871 9.178 3.670 1.00 0.00 C ATOM 145 O LEU A 9 -6.805 8.774 2.988 1.00 0.00 O ATOM 146 CB LEU A 9 -3.849 8.265 2.489 1.00 0.00 C ATOM 147 CG LEU A 9 -3.190 8.411 1.113 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.905 9.224 1.211 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.915 7.043 0.507 1.00 0.00 C ATOM 0 H LEU A 9 -3.218 9.617 4.651 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.731 10.203 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.091 7.951 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.590 7.467 2.438 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.879 8.946 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.455 9.314 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.132 10.217 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.208 8.723 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.447 7.165 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.248 6.483 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.853 6.500 0.394 1.00 0.00 H new ATOM 161 N ALA A 10 -5.974 9.340 4.989 1.00 0.00 N ATOM 162 CA ALA A 10 -7.220 9.045 5.695 1.00 0.00 C ATOM 163 C ALA A 10 -8.104 10.291 5.843 1.00 0.00 C ATOM 164 O ALA A 10 -9.205 10.214 6.390 1.00 0.00 O ATOM 165 CB ALA A 10 -6.925 8.439 7.059 1.00 0.00 C ATOM 0 H ALA A 10 -5.216 9.671 5.586 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.773 8.322 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.862 8.225 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.361 7.515 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.340 9.143 7.651 1.00 0.00 H new ATOM 171 N GLU A 11 -7.615 11.439 5.369 1.00 0.00 N ATOM 172 CA GLU A 11 -8.362 12.693 5.466 1.00 0.00 C ATOM 173 C GLU A 11 -9.584 12.721 4.540 1.00 0.00 C ATOM 174 O GLU A 11 -10.614 13.301 4.889 1.00 0.00 O ATOM 175 CB GLU A 11 -7.445 13.875 5.141 1.00 0.00 C ATOM 176 CG GLU A 11 -7.266 14.844 6.299 1.00 0.00 C ATOM 177 CD GLU A 11 -5.820 15.255 6.497 1.00 0.00 C ATOM 178 OE1 GLU A 11 -5.310 16.051 5.681 1.00 0.00 O ATOM 179 OE2 GLU A 11 -5.196 14.779 7.470 1.00 0.00 O ATOM 0 H GLU A 11 -6.706 11.525 4.915 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.725 12.771 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.468 13.495 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.852 14.415 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.871 15.733 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.638 14.383 7.214 1.00 0.00 H new ATOM 186 N VAL A 12 -9.464 12.118 3.356 1.00 0.00 N ATOM 187 CA VAL A 12 -10.567 12.115 2.391 1.00 0.00 C ATOM 188 C VAL A 12 -11.387 10.826 2.441 1.00 0.00 C ATOM 189 O VAL A 12 -12.616 10.872 2.508 1.00 0.00 O ATOM 190 CB VAL A 12 -10.058 12.338 0.956 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.220 12.380 -0.025 1.00 0.00 C ATOM 192 CG2 VAL A 12 -9.241 13.620 0.882 1.00 0.00 C ATOM 0 H VAL A 12 -8.624 11.630 3.044 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.217 12.942 2.678 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.415 11.502 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.839 12.539 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.763 11.436 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.892 13.196 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.886 13.767 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.863 14.465 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.387 13.547 1.556 1.00 0.00 H new ATOM 202 N ALA A 13 -10.712 9.681 2.393 1.00 0.00 N ATOM 203 CA ALA A 13 -11.402 8.391 2.417 1.00 0.00 C ATOM 204 C ALA A 13 -11.326 7.732 3.792 1.00 0.00 C ATOM 205 O ALA A 13 -12.262 7.049 4.208 1.00 0.00 O ATOM 206 CB ALA A 13 -10.830 7.465 1.352 1.00 0.00 C ATOM 0 H ALA A 13 -9.695 9.618 2.338 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.454 8.576 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.353 6.509 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.958 7.918 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.769 7.304 1.542 1.00 0.00 H new ATOM 212 N GLY A 14 -10.208 7.929 4.488 1.00 0.00 N ATOM 213 CA GLY A 14 -10.035 7.334 5.803 1.00 0.00 C ATOM 214 C GLY A 14 -9.420 5.947 5.732 1.00 0.00 C ATOM 215 O GLY A 14 -9.628 5.126 6.627 1.00 0.00 O ATOM 0 H GLY A 14 -9.420 8.490 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.401 7.979 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.002 7.275 6.303 1.00 0.00 H new ATOM 219 N SER A 15 -8.664 5.687 4.663 1.00 0.00 N ATOM 220 CA SER A 15 -8.022 4.393 4.472 1.00 0.00 C ATOM 221 C SER A 15 -6.511 4.546 4.314 1.00 0.00 C ATOM 222 O SER A 15 -6.016 4.849 3.226 1.00 0.00 O ATOM 223 CB SER A 15 -8.605 3.679 3.245 1.00 0.00 C ATOM 224 OG SER A 15 -9.144 4.605 2.316 1.00 0.00 O ATOM 0 H SER A 15 -8.484 6.359 3.918 1.00 0.00 H new ATOM 0 HA SER A 15 -8.216 3.791 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.827 3.088 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.383 2.984 3.562 1.00 0.00 H new ATOM 0 HG SER A 15 -9.506 4.121 1.545 1.00 0.00 H new ATOM 230 N ARG A 16 -5.787 4.326 5.407 1.00 0.00 N ATOM 231 CA ARG A 16 -4.337 4.423 5.410 1.00 0.00 C ATOM 232 C ARG A 16 -3.718 3.031 5.293 1.00 0.00 C ATOM 233 O ARG A 16 -2.791 2.817 4.512 1.00 0.00 O ATOM 234 CB ARG A 16 -3.845 5.118 6.691 1.00 0.00 C ATOM 235 CG ARG A 16 -4.951 5.588 7.629 1.00 0.00 C ATOM 236 CD ARG A 16 -4.444 6.629 8.615 1.00 0.00 C ATOM 237 NE ARG A 16 -5.382 6.846 9.714 1.00 0.00 N ATOM 238 CZ ARG A 16 -5.459 6.066 10.795 1.00 0.00 C ATOM 239 NH1 ARG A 16 -4.666 5.005 10.919 1.00 0.00 N ATOM 240 NH2 ARG A 16 -6.336 6.346 11.752 1.00 0.00 N ATOM 0 H ARG A 16 -6.190 4.077 6.310 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.027 5.021 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.195 4.431 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.236 5.978 6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.770 6.008 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.353 4.734 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.483 6.309 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.274 7.570 8.093 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.017 7.642 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.993 4.783 10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.731 4.414 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.949 7.156 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.396 5.751 12.578 1.00 0.00 H new ATOM 254 N THR A 17 -4.247 2.085 6.071 1.00 0.00 N ATOM 255 CA THR A 17 -3.756 0.710 6.054 1.00 0.00 C ATOM 256 C THR A 17 -4.564 -0.153 5.081 1.00 0.00 C ATOM 257 O THR A 17 -5.761 0.066 4.890 1.00 0.00 O ATOM 258 CB THR A 17 -3.807 0.107 7.466 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.132 -0.256 7.815 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.292 1.040 8.542 1.00 0.00 C ATOM 0 H THR A 17 -5.016 2.248 6.721 1.00 0.00 H new ATOM 0 HA THR A 17 -2.721 0.727 5.713 1.00 0.00 H new ATOM 0 HB THR A 17 -3.156 -0.766 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.139 -0.639 8.717 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.358 0.548 9.512 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.253 1.296 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.894 1.949 8.554 1.00 0.00 H new ATOM 268 N VAL A 18 -3.899 -1.136 4.471 1.00 0.00 N ATOM 269 CA VAL A 18 -4.546 -2.036 3.520 1.00 0.00 C ATOM 270 C VAL A 18 -3.967 -3.447 3.614 1.00 0.00 C ATOM 271 O VAL A 18 -2.799 -3.668 3.288 1.00 0.00 O ATOM 272 CB VAL A 18 -4.397 -1.534 2.066 1.00 0.00 C ATOM 273 CG1 VAL A 18 -5.352 -2.274 1.140 1.00 0.00 C ATOM 274 CG2 VAL A 18 -4.624 -0.030 1.979 1.00 0.00 C ATOM 0 H VAL A 18 -2.908 -1.328 4.621 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.604 -2.056 3.783 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.376 -1.740 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.230 -1.905 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.132 -3.341 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.378 -2.106 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.513 0.296 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.629 0.207 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.893 0.485 2.602 1.00 0.00 H new ATOM 284 N ARG A 19 -4.788 -4.399 4.056 1.00 0.00 N ATOM 285 CA ARG A 19 -4.355 -5.791 4.185 1.00 0.00 C ATOM 286 C ARG A 19 -4.953 -6.651 3.074 1.00 0.00 C ATOM 287 O ARG A 19 -6.106 -6.463 2.684 1.00 0.00 O ATOM 288 CB ARG A 19 -4.748 -6.353 5.555 1.00 0.00 C ATOM 289 CG ARG A 19 -6.252 -6.451 5.777 1.00 0.00 C ATOM 290 CD ARG A 19 -6.602 -6.402 7.255 1.00 0.00 C ATOM 291 NE ARG A 19 -6.480 -5.051 7.805 1.00 0.00 N ATOM 292 CZ ARG A 19 -6.368 -4.783 9.107 1.00 0.00 C ATOM 293 NH1 ARG A 19 -6.365 -5.767 10.002 1.00 0.00 N ATOM 294 NH2 ARG A 19 -6.260 -3.524 9.520 1.00 0.00 N ATOM 0 H ARG A 19 -5.756 -4.233 4.331 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.269 -5.815 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.309 -7.344 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.317 -5.722 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.751 -5.634 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.625 -7.379 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.621 -6.760 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.947 -7.077 7.805 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.481 -4.267 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.449 -6.736 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.279 -5.553 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.263 -2.763 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.174 -3.319 10.516 1.00 0.00 H new ATOM 308 N VAL A 20 -4.162 -7.596 2.566 1.00 0.00 N ATOM 309 CA VAL A 20 -4.620 -8.483 1.497 1.00 0.00 C ATOM 310 C VAL A 20 -4.915 -9.883 2.033 1.00 0.00 C ATOM 311 O VAL A 20 -4.034 -10.546 2.587 1.00 0.00 O ATOM 312 CB VAL A 20 -3.584 -8.586 0.356 1.00 0.00 C ATOM 313 CG1 VAL A 20 -4.164 -9.347 -0.829 1.00 0.00 C ATOM 314 CG2 VAL A 20 -3.116 -7.199 -0.070 1.00 0.00 C ATOM 0 H VAL A 20 -3.205 -7.767 2.876 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.536 -8.047 1.100 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.720 -9.139 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.419 -9.409 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.443 -10.353 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.046 -8.825 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.387 -7.292 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.970 -6.618 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.657 -6.693 0.779 1.00 0.00 H new ATOM 324 N ASP A 21 -6.162 -10.320 1.867 1.00 0.00 N ATOM 325 CA ASP A 21 -6.590 -11.638 2.332 1.00 0.00 C ATOM 326 C ASP A 21 -7.235 -12.442 1.205 1.00 0.00 C ATOM 327 O ASP A 21 -6.942 -13.627 1.028 1.00 0.00 O ATOM 328 CB ASP A 21 -7.573 -11.491 3.495 1.00 0.00 C ATOM 329 CG ASP A 21 -6.914 -11.719 4.839 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.844 -12.887 5.275 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.466 -10.730 5.455 1.00 0.00 O ATOM 0 H ASP A 21 -6.896 -9.778 1.412 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.706 -12.178 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.012 -10.493 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.390 -12.201 3.369 1.00 0.00 H new ATOM 336 N VAL A 22 -8.113 -11.789 0.447 1.00 0.00 N ATOM 337 CA VAL A 22 -8.805 -12.436 -0.662 1.00 0.00 C ATOM 338 C VAL A 22 -7.977 -12.357 -1.941 1.00 0.00 C ATOM 339 O VAL A 22 -7.391 -11.316 -2.249 1.00 0.00 O ATOM 340 CB VAL A 22 -10.187 -11.795 -0.919 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.968 -12.597 -1.954 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.978 -11.673 0.378 1.00 0.00 C ATOM 0 H VAL A 22 -8.362 -10.809 0.582 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.946 -13.480 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.028 -10.792 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.938 -12.129 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.411 -12.622 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.114 -13.615 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.947 -11.219 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.125 -12.663 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.428 -11.049 1.082 1.00 0.00 H new ATOM 352 N ASP A 23 -7.931 -13.463 -2.681 1.00 0.00 N ATOM 353 CA ASP A 23 -7.174 -13.522 -3.928 1.00 0.00 C ATOM 354 C ASP A 23 -8.092 -13.773 -5.122 1.00 0.00 C ATOM 355 O ASP A 23 -9.285 -14.040 -4.959 1.00 0.00 O ATOM 356 CB ASP A 23 -6.105 -14.615 -3.852 1.00 0.00 C ATOM 357 CG ASP A 23 -5.001 -14.278 -2.870 1.00 0.00 C ATOM 358 OD1 ASP A 23 -4.096 -13.501 -3.238 1.00 0.00 O ATOM 359 OD2 ASP A 23 -5.043 -14.790 -1.731 1.00 0.00 O ATOM 0 H ASP A 23 -8.409 -14.330 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.688 -12.556 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.572 -15.556 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.673 -14.766 -4.841 1.00 0.00 H new ATOM 364 N GLY A 24 -7.521 -13.686 -6.324 1.00 0.00 N ATOM 365 CA GLY A 24 -8.290 -13.906 -7.536 1.00 0.00 C ATOM 366 C GLY A 24 -7.699 -13.182 -8.730 1.00 0.00 C ATOM 367 O GLY A 24 -6.846 -13.728 -9.431 1.00 0.00 O ATOM 0 H GLY A 24 -6.537 -13.466 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.334 -14.974 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.315 -13.569 -7.380 1.00 0.00 H new ATOM 371 N ASP A 25 -8.152 -11.951 -8.961 1.00 0.00 N ATOM 372 CA ASP A 25 -7.660 -11.147 -10.081 1.00 0.00 C ATOM 373 C ASP A 25 -6.726 -10.039 -9.595 1.00 0.00 C ATOM 374 O ASP A 25 -5.758 -9.692 -10.276 1.00 0.00 O ATOM 375 CB ASP A 25 -8.830 -10.545 -10.861 1.00 0.00 C ATOM 376 CG ASP A 25 -8.651 -10.686 -12.360 1.00 0.00 C ATOM 377 OD1 ASP A 25 -9.031 -11.743 -12.906 1.00 0.00 O ATOM 378 OD2 ASP A 25 -8.125 -9.742 -12.986 1.00 0.00 O ATOM 0 H ASP A 25 -8.858 -11.488 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.095 -11.804 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.756 -11.035 -10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.930 -9.490 -10.606 1.00 0.00 H new ATOM 383 N ALA A 26 -7.020 -9.485 -8.418 1.00 0.00 N ATOM 384 CA ALA A 26 -6.206 -8.420 -7.843 1.00 0.00 C ATOM 385 C ALA A 26 -4.806 -8.924 -7.493 1.00 0.00 C ATOM 386 O ALA A 26 -4.649 -10.007 -6.929 1.00 0.00 O ATOM 387 CB ALA A 26 -6.887 -7.848 -6.609 1.00 0.00 C ATOM 0 H ALA A 26 -7.818 -9.759 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.102 -7.631 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.270 -7.054 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.861 -7.443 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.019 -8.636 -5.868 1.00 0.00 H new ATOM 393 N THR A 27 -3.793 -8.127 -7.835 1.00 0.00 N ATOM 394 CA THR A 27 -2.399 -8.483 -7.562 1.00 0.00 C ATOM 395 C THR A 27 -1.810 -7.585 -6.473 1.00 0.00 C ATOM 396 O THR A 27 -2.495 -6.705 -5.949 1.00 0.00 O ATOM 397 CB THR A 27 -1.558 -8.393 -8.842 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.327 -7.911 -9.934 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.963 -9.720 -9.255 1.00 0.00 C ATOM 0 H THR A 27 -3.912 -7.228 -8.303 1.00 0.00 H new ATOM 0 HA THR A 27 -2.377 -9.512 -7.204 1.00 0.00 H new ATOM 0 HB THR A 27 -0.751 -7.701 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.764 -7.863 -10.735 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.380 -9.589 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.316 -10.092 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.764 -10.437 -9.436 1.00 0.00 H new ATOM 407 N VAL A 28 -0.538 -7.808 -6.137 1.00 0.00 N ATOM 408 CA VAL A 28 0.132 -7.013 -5.110 1.00 0.00 C ATOM 409 C VAL A 28 0.590 -5.673 -5.676 1.00 0.00 C ATOM 410 O VAL A 28 0.557 -4.657 -4.983 1.00 0.00 O ATOM 411 CB VAL A 28 1.341 -7.751 -4.494 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.874 -8.895 -3.605 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.291 -8.257 -5.574 1.00 0.00 C ATOM 0 H VAL A 28 0.046 -8.530 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.599 -6.845 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 28 1.890 -7.038 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.740 -9.403 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.254 -8.500 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.293 -9.602 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.131 -8.772 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.761 -8.948 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.661 -7.414 -6.158 1.00 0.00 H new ATOM 423 N GLY A 29 1.003 -5.678 -6.942 1.00 0.00 N ATOM 424 CA GLY A 29 1.441 -4.457 -7.579 1.00 0.00 C ATOM 425 C GLY A 29 0.308 -3.736 -8.291 1.00 0.00 C ATOM 426 O GLY A 29 0.377 -2.524 -8.502 1.00 0.00 O ATOM 0 H GLY A 29 1.040 -6.508 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.875 -3.795 -6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.229 -4.687 -8.296 1.00 0.00 H new ATOM 430 N ASP A 30 -0.739 -4.484 -8.657 1.00 0.00 N ATOM 431 CA ASP A 30 -1.896 -3.911 -9.346 1.00 0.00 C ATOM 432 C ASP A 30 -2.610 -2.891 -8.461 1.00 0.00 C ATOM 433 O ASP A 30 -3.044 -1.841 -8.936 1.00 0.00 O ATOM 434 CB ASP A 30 -2.871 -5.020 -9.754 1.00 0.00 C ATOM 435 CG ASP A 30 -4.104 -4.485 -10.459 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.073 -4.372 -11.703 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.100 -4.184 -9.769 1.00 0.00 O ATOM 0 H ASP A 30 -0.807 -5.487 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.539 -3.400 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.360 -5.725 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.177 -5.574 -8.867 1.00 0.00 H new ATOM 442 N ALA A 31 -2.724 -3.209 -7.171 1.00 0.00 N ATOM 443 CA ALA A 31 -3.377 -2.322 -6.217 1.00 0.00 C ATOM 444 C ALA A 31 -2.424 -1.227 -5.761 1.00 0.00 C ATOM 445 O ALA A 31 -2.823 -0.074 -5.614 1.00 0.00 O ATOM 446 CB ALA A 31 -3.893 -3.111 -5.023 1.00 0.00 C ATOM 0 H ALA A 31 -2.371 -4.076 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.226 -1.851 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.378 -2.433 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.612 -3.856 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.059 -3.610 -4.529 1.00 0.00 H new ATOM 452 N LEU A 32 -1.158 -1.589 -5.548 1.00 0.00 N ATOM 453 CA LEU A 32 -0.150 -0.625 -5.117 1.00 0.00 C ATOM 454 C LEU A 32 -0.122 0.574 -6.060 1.00 0.00 C ATOM 455 O LEU A 32 -0.307 1.714 -5.634 1.00 0.00 O ATOM 456 CB LEU A 32 1.235 -1.276 -5.064 1.00 0.00 C ATOM 457 CG LEU A 32 2.229 -0.613 -4.105 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.288 -1.611 -3.674 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.874 0.605 -4.754 1.00 0.00 C ATOM 0 H LEU A 32 -0.809 -2.540 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.415 -0.284 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.117 -2.321 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.662 -1.268 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 32 1.685 -0.278 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.988 -1.127 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.812 -2.451 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.826 -1.972 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.576 1.060 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.406 0.299 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.102 1.329 -5.016 1.00 0.00 H new ATOM 471 N ASP A 33 0.101 0.303 -7.344 1.00 0.00 N ATOM 472 CA ASP A 33 0.148 1.352 -8.358 1.00 0.00 C ATOM 473 C ASP A 33 -1.185 2.093 -8.446 1.00 0.00 C ATOM 474 O ASP A 33 -1.215 3.297 -8.694 1.00 0.00 O ATOM 475 CB ASP A 33 0.502 0.753 -9.721 1.00 0.00 C ATOM 476 CG ASP A 33 0.523 1.790 -10.827 1.00 0.00 C ATOM 477 OD1 ASP A 33 1.434 2.645 -10.822 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.372 1.749 -11.695 1.00 0.00 O ATOM 0 H ASP A 33 0.252 -0.638 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 33 0.918 2.067 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.479 0.273 -9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.220 -0.024 -9.971 1.00 0.00 H new ATOM 483 N ALA A 34 -2.283 1.368 -8.241 1.00 0.00 N ATOM 484 CA ALA A 34 -3.616 1.963 -8.296 1.00 0.00 C ATOM 485 C ALA A 34 -3.840 2.920 -7.127 1.00 0.00 C ATOM 486 O ALA A 34 -4.212 4.078 -7.325 1.00 0.00 O ATOM 487 CB ALA A 34 -4.685 0.878 -8.302 1.00 0.00 C ATOM 0 H ALA A 34 -2.276 0.369 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.690 2.534 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.672 1.340 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.548 0.237 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.602 0.280 -7.394 1.00 0.00 H new ATOM 493 N LEU A 35 -3.606 2.429 -5.908 1.00 0.00 N ATOM 494 CA LEU A 35 -3.780 3.239 -4.702 1.00 0.00 C ATOM 495 C LEU A 35 -2.812 4.423 -4.683 1.00 0.00 C ATOM 496 O LEU A 35 -3.090 5.446 -4.058 1.00 0.00 O ATOM 497 CB LEU A 35 -3.583 2.388 -3.440 1.00 0.00 C ATOM 498 CG LEU A 35 -4.462 1.135 -3.331 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.495 0.634 -1.895 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.874 1.412 -3.833 1.00 0.00 C ATOM 0 H LEU A 35 -3.295 1.474 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.799 3.626 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.538 2.080 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.770 3.016 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.027 0.359 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.123 -0.255 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.484 0.387 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.903 1.411 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.476 0.507 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.323 2.206 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.835 1.721 -4.878 1.00 0.00 H new ATOM 512 N VAL A 36 -1.673 4.282 -5.366 1.00 0.00 N ATOM 513 CA VAL A 36 -0.675 5.346 -5.415 1.00 0.00 C ATOM 514 C VAL A 36 -0.904 6.277 -6.606 1.00 0.00 C ATOM 515 O VAL A 36 -0.795 7.494 -6.478 1.00 0.00 O ATOM 516 CB VAL A 36 0.758 4.778 -5.490 1.00 0.00 C ATOM 517 CG1 VAL A 36 1.781 5.905 -5.539 1.00 0.00 C ATOM 518 CG2 VAL A 36 1.029 3.853 -4.312 1.00 0.00 C ATOM 0 H VAL A 36 -1.422 3.444 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.786 5.914 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 36 0.849 4.197 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.785 5.483 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.600 6.522 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.691 6.517 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.044 3.462 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.917 4.408 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.320 3.025 -4.329 1.00 0.00 H new ATOM 528 N GLY A 37 -1.215 5.700 -7.764 1.00 0.00 N ATOM 529 CA GLY A 37 -1.443 6.500 -8.957 1.00 0.00 C ATOM 530 C GLY A 37 -2.629 7.436 -8.828 1.00 0.00 C ATOM 531 O GLY A 37 -2.615 8.541 -9.372 1.00 0.00 O ATOM 0 H GLY A 37 -1.313 4.694 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.548 7.084 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.602 5.837 -9.807 1.00 0.00 H new ATOM 535 N ALA A 38 -3.661 6.995 -8.112 1.00 0.00 N ATOM 536 CA ALA A 38 -4.863 7.800 -7.921 1.00 0.00 C ATOM 537 C ALA A 38 -4.936 8.400 -6.516 1.00 0.00 C ATOM 538 O ALA A 38 -5.339 9.553 -6.349 1.00 0.00 O ATOM 539 CB ALA A 38 -6.105 6.967 -8.203 1.00 0.00 C ATOM 0 H ALA A 38 -3.688 6.084 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.816 8.629 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.995 7.579 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.077 6.608 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.135 6.116 -7.523 1.00 0.00 H new ATOM 545 N HIS A 39 -4.572 7.603 -5.507 1.00 0.00 N ATOM 546 CA HIS A 39 -4.618 8.032 -4.119 1.00 0.00 C ATOM 547 C HIS A 39 -6.052 8.336 -3.706 1.00 0.00 C ATOM 548 O HIS A 39 -6.326 9.384 -3.122 1.00 0.00 O ATOM 549 CB HIS A 39 -3.747 9.266 -3.889 1.00 0.00 C ATOM 550 CG HIS A 39 -2.271 9.012 -3.939 1.00 0.00 C ATOM 551 ND1 HIS A 39 -1.394 9.832 -4.616 1.00 0.00 N ATOM 552 CD2 HIS A 39 -1.513 8.048 -3.364 1.00 0.00 C ATOM 553 CE1 HIS A 39 -0.162 9.387 -4.456 1.00 0.00 C ATOM 554 NE2 HIS A 39 -0.206 8.306 -3.700 1.00 0.00 N ATOM 0 H HIS A 39 -4.239 6.647 -5.636 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.229 7.217 -3.509 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.998 10.015 -4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.995 9.693 -2.917 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.657 10.656 -5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.869 7.230 -2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.730 9.831 -4.872 1.00 0.00 H new ATOM 563 N PRO A 40 -6.995 7.417 -3.990 1.00 0.00 N ATOM 564 CA PRO A 40 -8.401 7.604 -3.629 1.00 0.00 C ATOM 565 C PRO A 40 -8.576 7.917 -2.149 1.00 0.00 C ATOM 566 O PRO A 40 -9.561 8.537 -1.751 1.00 0.00 O ATOM 567 CB PRO A 40 -9.058 6.262 -3.970 1.00 0.00 C ATOM 568 CG PRO A 40 -7.936 5.305 -4.194 1.00 0.00 C ATOM 569 CD PRO A 40 -6.773 6.129 -4.663 1.00 0.00 C ATOM 0 HA PRO A 40 -8.842 8.447 -4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.703 5.925 -3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.683 6.347 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.690 4.771 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.206 4.554 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.820 5.683 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.764 6.236 -5.748 1.00 0.00 H new ATOM 577 N ALA A 41 -7.601 7.499 -1.337 1.00 0.00 N ATOM 578 CA ALA A 41 -7.641 7.751 0.092 1.00 0.00 C ATOM 579 C ALA A 41 -7.708 9.253 0.370 1.00 0.00 C ATOM 580 O ALA A 41 -8.385 9.692 1.296 1.00 0.00 O ATOM 581 CB ALA A 41 -6.431 7.126 0.772 1.00 0.00 C ATOM 0 H ALA A 41 -6.778 6.985 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.540 7.291 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.474 7.323 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.433 6.050 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.519 7.558 0.360 1.00 0.00 H new ATOM 587 N LEU A 42 -7.018 10.036 -0.455 1.00 0.00 N ATOM 588 CA LEU A 42 -7.013 11.489 -0.314 1.00 0.00 C ATOM 589 C LEU A 42 -7.545 12.173 -1.580 1.00 0.00 C ATOM 590 O LEU A 42 -7.578 13.402 -1.661 1.00 0.00 O ATOM 591 CB LEU A 42 -5.600 11.989 0.006 1.00 0.00 C ATOM 592 CG LEU A 42 -4.485 11.421 -0.877 1.00 0.00 C ATOM 593 CD1 LEU A 42 -4.656 11.871 -2.322 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.127 11.844 -0.340 1.00 0.00 C ATOM 0 H LEU A 42 -6.454 9.687 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.675 11.748 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.590 13.076 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.375 11.749 1.045 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.546 10.333 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.853 11.455 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.616 11.521 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.622 12.959 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.341 11.435 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.060 12.932 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.005 11.469 0.676 1.00 0.00 H new ATOM 606 N GLU A 43 -7.955 11.373 -2.569 1.00 0.00 N ATOM 607 CA GLU A 43 -8.473 11.907 -3.821 1.00 0.00 C ATOM 608 C GLU A 43 -9.773 11.205 -4.219 1.00 0.00 C ATOM 609 O GLU A 43 -9.778 10.333 -5.089 1.00 0.00 O ATOM 610 CB GLU A 43 -7.425 11.752 -4.927 1.00 0.00 C ATOM 611 CG GLU A 43 -7.513 12.825 -5.998 1.00 0.00 C ATOM 612 CD GLU A 43 -6.471 12.645 -7.081 1.00 0.00 C ATOM 613 OE1 GLU A 43 -5.289 12.966 -6.831 1.00 0.00 O ATOM 614 OE2 GLU A 43 -6.835 12.178 -8.181 1.00 0.00 O ATOM 0 H GLU A 43 -7.936 10.354 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.691 12.966 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.431 11.776 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.542 10.774 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.506 12.807 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.389 13.805 -5.538 1.00 0.00 H new ATOM 621 N SER A 44 -10.873 11.593 -3.577 1.00 0.00 N ATOM 622 CA SER A 44 -12.179 11.003 -3.866 1.00 0.00 C ATOM 623 C SER A 44 -12.800 11.646 -5.105 1.00 0.00 C ATOM 624 O SER A 44 -13.341 10.952 -5.968 1.00 0.00 O ATOM 625 CB SER A 44 -13.115 11.158 -2.663 1.00 0.00 C ATOM 626 OG SER A 44 -13.469 12.517 -2.457 1.00 0.00 O ATOM 0 H SER A 44 -10.886 12.312 -2.854 1.00 0.00 H new ATOM 0 HA SER A 44 -12.037 9.941 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.016 10.565 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.629 10.767 -1.769 1.00 0.00 H new ATOM 0 HG SER A 44 -14.068 12.586 -1.684 1.00 0.00 H new ATOM 632 N ARG A 45 -12.721 12.976 -5.185 1.00 0.00 N ATOM 633 CA ARG A 45 -13.272 13.711 -6.316 1.00 0.00 C ATOM 634 C ARG A 45 -12.735 15.140 -6.354 1.00 0.00 C ATOM 635 O ARG A 45 -13.219 16.015 -5.633 1.00 0.00 O ATOM 636 CB ARG A 45 -14.803 13.726 -6.249 1.00 0.00 C ATOM 637 CG ARG A 45 -15.474 13.222 -7.517 1.00 0.00 C ATOM 638 CD ARG A 45 -16.651 12.308 -7.205 1.00 0.00 C ATOM 639 NE ARG A 45 -17.893 13.055 -6.997 1.00 0.00 N ATOM 640 CZ ARG A 45 -18.961 12.561 -6.363 1.00 0.00 C ATOM 641 NH1 ARG A 45 -18.950 11.324 -5.878 1.00 0.00 N ATOM 642 NH2 ARG A 45 -20.050 13.309 -6.216 1.00 0.00 N ATOM 0 H ARG A 45 -12.280 13.563 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.963 13.204 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.127 13.113 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.139 14.743 -6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.819 14.070 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.746 12.684 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.787 11.602 -8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.428 11.723 -6.313 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.946 14.008 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.121 10.741 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.771 10.958 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.070 14.259 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.866 12.933 -5.732 1.00 0.00 H new ATOM 656 N VAL A 46 -11.733 15.370 -7.200 1.00 0.00 N ATOM 657 CA VAL A 46 -11.130 16.693 -7.337 1.00 0.00 C ATOM 658 C VAL A 46 -11.316 17.218 -8.761 1.00 0.00 C ATOM 659 O VAL A 46 -12.115 18.127 -8.996 1.00 0.00 O ATOM 660 CB VAL A 46 -9.624 16.673 -6.979 1.00 0.00 C ATOM 661 CG1 VAL A 46 -9.052 18.083 -6.967 1.00 0.00 C ATOM 662 CG2 VAL A 46 -9.402 15.991 -5.634 1.00 0.00 C ATOM 0 H VAL A 46 -11.322 14.656 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.636 17.358 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.100 16.101 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.993 18.044 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.172 18.533 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.581 18.684 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.338 15.987 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.942 16.533 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.767 14.965 -5.682 1.00 0.00 H new ATOM 672 N PHE A 47 -10.582 16.630 -9.705 1.00 0.00 N ATOM 673 CA PHE A 47 -10.663 17.021 -11.115 1.00 0.00 C ATOM 674 C PHE A 47 -9.968 15.983 -11.997 1.00 0.00 C ATOM 675 O PHE A 47 -10.511 15.554 -13.016 1.00 0.00 O ATOM 676 CB PHE A 47 -10.032 18.404 -11.336 1.00 0.00 C ATOM 677 CG PHE A 47 -11.000 19.550 -11.197 1.00 0.00 C ATOM 678 CD1 PHE A 47 -12.197 19.558 -11.899 1.00 0.00 C ATOM 679 CD2 PHE A 47 -10.715 20.616 -10.358 1.00 0.00 C ATOM 680 CE1 PHE A 47 -13.087 20.607 -11.768 1.00 0.00 C ATOM 681 CE2 PHE A 47 -11.602 21.669 -10.225 1.00 0.00 C ATOM 682 CZ PHE A 47 -12.789 21.663 -10.929 1.00 0.00 C ATOM 0 H PHE A 47 -9.920 15.876 -9.519 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.716 17.073 -11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.220 18.540 -10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.589 18.435 -12.332 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.436 18.734 -12.556 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.789 20.624 -9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.015 20.601 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.366 22.495 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.484 22.483 -10.824 1.00 0.00 H new ATOM 692 N GLY A 48 -8.767 15.584 -11.583 1.00 0.00 N ATOM 693 CA GLY A 48 -8.001 14.596 -12.321 1.00 0.00 C ATOM 694 C GLY A 48 -6.899 13.993 -11.473 1.00 0.00 C ATOM 695 O GLY A 48 -6.779 12.769 -11.372 1.00 0.00 O ATOM 0 H GLY A 48 -8.308 15.932 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.666 13.806 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.566 15.060 -13.206 1.00 0.00 H new ATOM 699 N ASP A 49 -6.097 14.859 -10.858 1.00 0.00 N ATOM 700 CA ASP A 49 -4.996 14.427 -10.003 1.00 0.00 C ATOM 701 C ASP A 49 -4.330 15.627 -9.340 1.00 0.00 C ATOM 702 O ASP A 49 -4.311 16.724 -9.900 1.00 0.00 O ATOM 703 CB ASP A 49 -3.961 13.635 -10.809 1.00 0.00 C ATOM 704 CG ASP A 49 -3.506 14.371 -12.058 1.00 0.00 C ATOM 705 OD1 ASP A 49 -4.137 14.187 -13.119 1.00 0.00 O ATOM 706 OD2 ASP A 49 -2.520 15.131 -11.972 1.00 0.00 O ATOM 0 H ASP A 49 -6.191 15.872 -10.938 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.406 13.779 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.096 13.428 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.386 12.673 -11.093 1.00 0.00 H new ATOM 711 N ASP A 50 -3.787 15.412 -8.144 1.00 0.00 N ATOM 712 CA ASP A 50 -3.118 16.481 -7.403 1.00 0.00 C ATOM 713 C ASP A 50 -1.775 16.841 -8.045 1.00 0.00 C ATOM 714 O ASP A 50 -1.327 17.985 -7.952 1.00 0.00 O ATOM 715 CB ASP A 50 -2.908 16.062 -5.943 1.00 0.00 C ATOM 716 CG ASP A 50 -4.136 16.308 -5.084 1.00 0.00 C ATOM 717 OD1 ASP A 50 -5.209 15.751 -5.402 1.00 0.00 O ATOM 718 OD2 ASP A 50 -4.023 17.058 -4.094 1.00 0.00 O ATOM 0 H ASP A 50 -3.796 14.510 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.757 17.364 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.649 15.004 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.063 16.612 -5.529 1.00 0.00 H new ATOM 723 N GLY A 51 -1.145 15.864 -8.701 1.00 0.00 N ATOM 724 CA GLY A 51 0.131 16.102 -9.355 1.00 0.00 C ATOM 725 C GLY A 51 1.303 16.065 -8.389 1.00 0.00 C ATOM 726 O GLY A 51 1.443 16.948 -7.543 1.00 0.00 O ATOM 0 H GLY A 51 -1.498 14.911 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.282 15.352 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.105 17.073 -9.851 1.00 0.00 H new ATOM 730 N GLU A 52 2.146 15.039 -8.518 1.00 0.00 N ATOM 731 CA GLU A 52 3.311 14.889 -7.648 1.00 0.00 C ATOM 732 C GLU A 52 4.591 15.307 -8.370 1.00 0.00 C ATOM 733 O GLU A 52 4.807 14.947 -9.529 1.00 0.00 O ATOM 734 CB GLU A 52 3.441 13.442 -7.167 1.00 0.00 C ATOM 735 CG GLU A 52 4.488 13.256 -6.079 1.00 0.00 C ATOM 736 CD GLU A 52 5.219 11.931 -6.185 1.00 0.00 C ATOM 737 OE1 GLU A 52 4.566 10.877 -6.040 1.00 0.00 O ATOM 738 OE2 GLU A 52 6.447 11.950 -6.411 1.00 0.00 O ATOM 0 H GLU A 52 2.043 14.302 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 52 3.167 15.540 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.475 13.104 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.694 12.807 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.211 14.070 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.007 13.323 -5.103 1.00 0.00 H new ATOM 745 N LEU A 53 5.438 16.057 -7.670 1.00 0.00 N ATOM 746 CA LEU A 53 6.707 16.518 -8.234 1.00 0.00 C ATOM 747 C LEU A 53 7.883 16.133 -7.335 1.00 0.00 C ATOM 748 O LEU A 53 8.903 15.635 -7.817 1.00 0.00 O ATOM 749 CB LEU A 53 6.683 18.037 -8.451 1.00 0.00 C ATOM 750 CG LEU A 53 6.182 18.867 -7.264 1.00 0.00 C ATOM 751 CD1 LEU A 53 7.327 19.657 -6.644 1.00 0.00 C ATOM 752 CD2 LEU A 53 5.060 19.798 -7.700 1.00 0.00 C ATOM 0 H LEU A 53 5.270 16.360 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 53 6.839 16.028 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.691 18.366 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.053 18.253 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 53 5.788 18.187 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.953 20.240 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.097 18.969 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.752 20.328 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.717 20.379 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.427 20.473 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.232 19.210 -8.095 1.00 0.00 H new ATOM 764 N TYR A 54 7.735 16.365 -6.028 1.00 0.00 N ATOM 765 CA TYR A 54 8.782 16.038 -5.060 1.00 0.00 C ATOM 766 C TYR A 54 8.191 15.860 -3.660 1.00 0.00 C ATOM 767 O TYR A 54 7.711 16.822 -3.054 1.00 0.00 O ATOM 768 CB TYR A 54 9.856 17.133 -5.042 1.00 0.00 C ATOM 769 CG TYR A 54 11.207 16.669 -5.545 1.00 0.00 C ATOM 770 CD1 TYR A 54 12.052 15.917 -4.737 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.638 16.985 -6.829 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.286 15.494 -5.193 1.00 0.00 C ATOM 773 CE2 TYR A 54 12.871 16.564 -7.291 1.00 0.00 C ATOM 774 CZ TYR A 54 13.691 15.820 -6.470 1.00 0.00 C ATOM 775 OH TYR A 54 14.919 15.401 -6.927 1.00 0.00 O ATOM 0 H TYR A 54 6.898 16.779 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 54 9.242 15.098 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.519 17.970 -5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.966 17.505 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.739 15.659 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.999 17.569 -7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.930 14.911 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.191 16.817 -8.291 1.00 0.00 H new ATOM 0 HH TYR A 54 15.050 15.714 -7.846 1.00 0.00 H new ATOM 785 N ASP A 55 8.228 14.625 -3.157 1.00 0.00 N ATOM 786 CA ASP A 55 7.693 14.313 -1.831 1.00 0.00 C ATOM 787 C ASP A 55 8.509 13.209 -1.155 1.00 0.00 C ATOM 788 O ASP A 55 8.897 12.231 -1.797 1.00 0.00 O ATOM 789 CB ASP A 55 6.226 13.885 -1.941 1.00 0.00 C ATOM 790 CG ASP A 55 5.454 14.101 -0.653 1.00 0.00 C ATOM 791 OD1 ASP A 55 5.831 13.501 0.377 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.469 14.868 -0.673 1.00 0.00 O ATOM 0 H ASP A 55 8.623 13.824 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 55 7.760 15.212 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.748 14.445 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.179 12.831 -2.215 1.00 0.00 H new ATOM 797 N HIS A 56 8.759 13.368 0.145 1.00 0.00 N ATOM 798 CA HIS A 56 9.519 12.384 0.910 1.00 0.00 C ATOM 799 C HIS A 56 8.598 11.555 1.801 1.00 0.00 C ATOM 800 O HIS A 56 7.820 12.103 2.584 1.00 0.00 O ATOM 801 CB HIS A 56 10.594 13.072 1.756 1.00 0.00 C ATOM 802 CG HIS A 56 11.895 12.329 1.788 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.164 11.319 2.689 1.00 0.00 N ATOM 804 CD2 HIS A 56 13.006 12.455 1.024 1.00 0.00 C ATOM 805 CE1 HIS A 56 13.386 10.859 2.479 1.00 0.00 C ATOM 806 NE2 HIS A 56 13.917 11.532 1.475 1.00 0.00 N ATOM 0 H HIS A 56 8.445 14.171 0.690 1.00 0.00 H new ATOM 0 HA HIS A 56 10.007 11.713 0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.767 14.075 1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.225 13.187 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 56 13.149 13.152 0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.868 10.068 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 56 14.853 11.389 1.096 1.00 0.00 H new ATOM 815 N ILE A 57 8.699 10.230 1.679 1.00 0.00 N ATOM 816 CA ILE A 57 7.883 9.312 2.470 1.00 0.00 C ATOM 817 C ILE A 57 8.622 7.997 2.684 1.00 0.00 C ATOM 818 O ILE A 57 9.160 7.416 1.740 1.00 0.00 O ATOM 819 CB ILE A 57 6.522 9.015 1.799 1.00 0.00 C ATOM 820 CG1 ILE A 57 6.719 8.571 0.344 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.615 10.235 1.872 1.00 0.00 C ATOM 822 CD1 ILE A 57 6.603 7.073 0.147 1.00 0.00 C ATOM 0 H ILE A 57 9.342 9.769 1.036 1.00 0.00 H new ATOM 0 HA ILE A 57 7.696 9.801 3.426 1.00 0.00 H new ATOM 0 HB ILE A 57 6.044 8.199 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.980 9.070 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.701 8.899 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.661 10.008 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.445 10.500 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.088 11.071 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.753 6.832 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.360 6.567 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.612 6.741 0.457 1.00 0.00 H new ATOM 834 N ASN A 58 8.644 7.534 3.927 1.00 0.00 N ATOM 835 CA ASN A 58 9.318 6.288 4.262 1.00 0.00 C ATOM 836 C ASN A 58 8.356 5.107 4.160 1.00 0.00 C ATOM 837 O ASN A 58 7.174 5.227 4.487 1.00 0.00 O ATOM 838 CB ASN A 58 9.908 6.372 5.670 1.00 0.00 C ATOM 839 CG ASN A 58 11.377 6.760 5.672 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.953 7.072 4.630 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.991 6.744 6.851 1.00 0.00 N ATOM 0 H ASN A 58 8.203 8.002 4.719 1.00 0.00 H new ATOM 0 HA ASN A 58 10.127 6.131 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.344 7.101 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.791 5.408 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.977 6.997 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.476 6.479 7.691 1.00 0.00 H new ATOM 848 N VAL A 59 8.861 3.966 3.696 1.00 0.00 N ATOM 849 CA VAL A 59 8.032 2.772 3.545 1.00 0.00 C ATOM 850 C VAL A 59 8.789 1.500 3.944 1.00 0.00 C ATOM 851 O VAL A 59 10.012 1.424 3.805 1.00 0.00 O ATOM 852 CB VAL A 59 7.523 2.644 2.089 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.682 2.442 1.122 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.511 1.514 1.965 1.00 0.00 C ATOM 0 H VAL A 59 9.835 3.843 3.419 1.00 0.00 H new ATOM 0 HA VAL A 59 7.180 2.883 4.216 1.00 0.00 H new ATOM 0 HB VAL A 59 7.023 3.576 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.297 2.355 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.359 3.294 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.221 1.532 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.168 1.444 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.978 0.573 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.661 1.714 2.617 1.00 0.00 H new ATOM 864 N LEU A 60 8.049 0.500 4.430 1.00 0.00 N ATOM 865 CA LEU A 60 8.636 -0.772 4.842 1.00 0.00 C ATOM 866 C LEU A 60 8.138 -1.913 3.955 1.00 0.00 C ATOM 867 O LEU A 60 6.933 -2.075 3.760 1.00 0.00 O ATOM 868 CB LEU A 60 8.287 -1.063 6.307 1.00 0.00 C ATOM 869 CG LEU A 60 9.340 -1.854 7.092 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.642 -3.181 6.411 1.00 0.00 C ATOM 871 CD2 LEU A 60 10.612 -1.034 7.259 1.00 0.00 C ATOM 0 H LEU A 60 7.037 0.550 4.547 1.00 0.00 H new ATOM 0 HA LEU A 60 9.718 -0.698 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.116 -0.115 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.347 -1.615 6.336 1.00 0.00 H new ATOM 0 HG LEU A 60 8.936 -2.067 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.392 -3.723 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.730 -3.775 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.021 -2.996 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.347 -1.613 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.016 -0.786 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.384 -0.116 7.800 1.00 0.00 H new ATOM 883 N ARG A 61 9.073 -2.700 3.424 1.00 0.00 N ATOM 884 CA ARG A 61 8.730 -3.830 2.561 1.00 0.00 C ATOM 885 C ARG A 61 8.817 -5.149 3.324 1.00 0.00 C ATOM 886 O ARG A 61 9.667 -5.314 4.199 1.00 0.00 O ATOM 887 CB ARG A 61 9.658 -3.877 1.345 1.00 0.00 C ATOM 888 CG ARG A 61 9.366 -2.799 0.313 1.00 0.00 C ATOM 889 CD ARG A 61 10.627 -2.365 -0.420 1.00 0.00 C ATOM 890 NE ARG A 61 10.810 -0.914 -0.384 1.00 0.00 N ATOM 891 CZ ARG A 61 11.312 -0.251 0.662 1.00 0.00 C ATOM 892 NH1 ARG A 61 11.668 -0.902 1.767 1.00 0.00 N ATOM 893 NH2 ARG A 61 11.455 1.068 0.605 1.00 0.00 N ATOM 0 H ARG A 61 10.074 -2.576 3.576 1.00 0.00 H new ATOM 0 HA ARG A 61 7.703 -3.690 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.690 -3.776 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.572 -4.855 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.637 -3.172 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.916 -1.937 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.493 -2.851 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.577 -2.698 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 61 10.538 -0.376 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.558 -1.915 1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.050 -0.388 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.182 1.575 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.838 1.574 1.403 1.00 0.00 H new ATOM 907 N ASN A 62 7.936 -6.090 2.979 1.00 0.00 N ATOM 908 CA ASN A 62 7.913 -7.405 3.623 1.00 0.00 C ATOM 909 C ASN A 62 9.244 -8.147 3.446 1.00 0.00 C ATOM 910 O ASN A 62 9.553 -9.064 4.209 1.00 0.00 O ATOM 911 CB ASN A 62 6.769 -8.253 3.058 1.00 0.00 C ATOM 912 CG ASN A 62 6.140 -9.152 4.106 1.00 0.00 C ATOM 913 OD1 ASN A 62 5.054 -8.866 4.614 1.00 0.00 O ATOM 914 ND2 ASN A 62 6.816 -10.248 4.437 1.00 0.00 N ATOM 0 H ASN A 62 7.228 -5.965 2.256 1.00 0.00 H new ATOM 0 HA ASN A 62 7.755 -7.244 4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.005 -7.596 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.145 -8.864 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.439 -10.889 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.712 -10.448 3.993 1.00 0.00 H new ATOM 921 N GLY A 63 10.024 -7.750 2.436 1.00 0.00 N ATOM 922 CA GLY A 63 11.303 -8.395 2.183 1.00 0.00 C ATOM 923 C GLY A 63 11.315 -9.199 0.892 1.00 0.00 C ATOM 924 O GLY A 63 12.111 -10.127 0.743 1.00 0.00 O ATOM 0 H GLY A 63 9.791 -6.995 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.085 -7.636 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.544 -9.054 3.018 1.00 0.00 H new ATOM 928 N GLU A 64 10.429 -8.847 -0.041 1.00 0.00 N ATOM 929 CA GLU A 64 10.341 -9.540 -1.319 1.00 0.00 C ATOM 930 C GLU A 64 11.141 -8.812 -2.394 1.00 0.00 C ATOM 931 O GLU A 64 11.477 -7.634 -2.248 1.00 0.00 O ATOM 932 CB GLU A 64 8.881 -9.654 -1.757 1.00 0.00 C ATOM 933 CG GLU A 64 8.549 -10.972 -2.436 1.00 0.00 C ATOM 934 CD GLU A 64 7.065 -11.283 -2.402 1.00 0.00 C ATOM 935 OE1 GLU A 64 6.333 -10.782 -3.281 1.00 0.00 O ATOM 936 OE2 GLU A 64 6.635 -12.020 -1.495 1.00 0.00 O ATOM 0 H GLU A 64 9.762 -8.083 0.069 1.00 0.00 H new ATOM 0 HA GLU A 64 10.761 -10.537 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.239 -9.533 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.650 -8.836 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.887 -10.939 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.097 -11.777 -1.947 1.00 0.00 H new ATOM 943 N ALA A 65 11.436 -9.523 -3.476 1.00 0.00 N ATOM 944 CA ALA A 65 12.188 -8.956 -4.591 1.00 0.00 C ATOM 945 C ALA A 65 11.253 -8.538 -5.725 1.00 0.00 C ATOM 946 O ALA A 65 10.783 -9.377 -6.495 1.00 0.00 O ATOM 947 CB ALA A 65 13.224 -9.954 -5.092 1.00 0.00 C ATOM 0 H ALA A 65 11.165 -10.498 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 65 12.705 -8.065 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.777 -9.518 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.915 -10.198 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.722 -10.862 -5.427 1.00 0.00 H new ATOM 953 N ALA A 66 10.999 -7.232 -5.824 1.00 0.00 N ATOM 954 CA ALA A 66 10.131 -6.673 -6.865 1.00 0.00 C ATOM 955 C ALA A 66 8.792 -7.412 -6.953 1.00 0.00 C ATOM 956 O ALA A 66 8.564 -8.199 -7.874 1.00 0.00 O ATOM 957 CB ALA A 66 10.843 -6.696 -8.210 1.00 0.00 C ATOM 0 H ALA A 66 11.386 -6.534 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 66 9.913 -5.640 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.189 -6.278 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.755 -6.102 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.096 -7.724 -8.470 1.00 0.00 H new ATOM 963 N ALA A 67 7.903 -7.140 -5.996 1.00 0.00 N ATOM 964 CA ALA A 67 6.583 -7.764 -5.971 1.00 0.00 C ATOM 965 C ALA A 67 5.588 -6.961 -6.804 1.00 0.00 C ATOM 966 O ALA A 67 5.530 -5.735 -6.697 1.00 0.00 O ATOM 967 CB ALA A 67 6.080 -7.891 -4.539 1.00 0.00 C ATOM 0 H ALA A 67 8.075 -6.491 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 67 6.673 -8.761 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.095 -8.358 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.773 -8.505 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.012 -6.901 -4.088 1.00 0.00 H new ATOM 973 N LEU A 68 4.809 -7.653 -7.635 1.00 0.00 N ATOM 974 CA LEU A 68 3.817 -6.994 -8.481 1.00 0.00 C ATOM 975 C LEU A 68 2.765 -7.985 -8.979 1.00 0.00 C ATOM 976 O LEU A 68 1.613 -7.947 -8.542 1.00 0.00 O ATOM 977 CB LEU A 68 4.503 -6.316 -9.671 1.00 0.00 C ATOM 978 CG LEU A 68 4.284 -4.803 -9.771 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.519 -4.122 -10.341 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.060 -4.494 -10.626 1.00 0.00 C ATOM 0 H LEU A 68 4.846 -8.667 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 68 3.312 -6.239 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.574 -6.509 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.146 -6.781 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 68 4.109 -4.414 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.345 -3.048 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.373 -4.314 -9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.725 -4.516 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.921 -3.415 -10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.205 -4.897 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.178 -4.949 -10.176 1.00 0.00 H new ATOM 992 N GLY A 69 3.167 -8.868 -9.895 1.00 0.00 N ATOM 993 CA GLY A 69 2.245 -9.853 -10.438 1.00 0.00 C ATOM 994 C GLY A 69 2.228 -11.143 -9.641 1.00 0.00 C ATOM 995 O GLY A 69 2.421 -12.225 -10.201 1.00 0.00 O ATOM 0 H GLY A 69 4.114 -8.917 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.240 -9.431 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.520 -10.072 -11.470 1.00 0.00 H new ATOM 999 N GLU A 70 2.000 -11.033 -8.333 1.00 0.00 N ATOM 1000 CA GLU A 70 1.964 -12.201 -7.460 1.00 0.00 C ATOM 1001 C GLU A 70 1.210 -11.902 -6.164 1.00 0.00 C ATOM 1002 O GLU A 70 1.815 -11.775 -5.098 1.00 0.00 O ATOM 1003 CB GLU A 70 3.389 -12.659 -7.144 1.00 0.00 C ATOM 1004 CG GLU A 70 3.495 -14.135 -6.795 1.00 0.00 C ATOM 1005 CD GLU A 70 4.919 -14.654 -6.882 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.844 -13.940 -6.438 1.00 0.00 O ATOM 1007 OE2 GLU A 70 5.109 -15.776 -7.396 1.00 0.00 O ATOM 0 H GLU A 70 1.838 -10.146 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 70 1.434 -12.998 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.026 -12.452 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.774 -12.070 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.115 -14.294 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.860 -14.711 -7.469 1.00 0.00 H new ATOM 1014 N ALA A 71 -0.115 -11.794 -6.259 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.949 -11.518 -5.090 1.00 0.00 C ATOM 1016 C ALA A 71 -0.805 -12.614 -4.032 1.00 0.00 C ATOM 1017 O ALA A 71 -0.964 -12.356 -2.838 1.00 0.00 O ATOM 1018 CB ALA A 71 -2.405 -11.368 -5.503 1.00 0.00 C ATOM 0 H ALA A 71 -0.633 -11.893 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.609 -10.581 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.014 -11.163 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.500 -10.544 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.747 -12.290 -5.973 1.00 0.00 H new ATOM 1024 N THR A 72 -0.501 -13.836 -4.476 1.00 0.00 N ATOM 1025 CA THR A 72 -0.335 -14.967 -3.568 1.00 0.00 C ATOM 1026 C THR A 72 1.142 -15.193 -3.222 1.00 0.00 C ATOM 1027 O THR A 72 1.585 -16.334 -3.070 1.00 0.00 O ATOM 1028 CB THR A 72 -0.932 -16.237 -4.187 1.00 0.00 C ATOM 1029 OG1 THR A 72 -0.835 -16.208 -5.603 1.00 0.00 O ATOM 1030 CG2 THR A 72 -2.387 -16.449 -3.825 1.00 0.00 C ATOM 0 H THR A 72 -0.365 -14.065 -5.461 1.00 0.00 H new ATOM 0 HA THR A 72 -0.866 -14.735 -2.645 1.00 0.00 H new ATOM 0 HB THR A 72 -0.348 -17.060 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.221 -17.029 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.749 -17.364 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.484 -16.533 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.977 -15.603 -4.177 1.00 0.00 H new ATOM 1038 N ALA A 73 1.898 -14.102 -3.090 1.00 0.00 N ATOM 1039 CA ALA A 73 3.316 -14.183 -2.754 1.00 0.00 C ATOM 1040 C ALA A 73 3.526 -14.087 -1.244 1.00 0.00 C ATOM 1041 O ALA A 73 2.564 -13.986 -0.483 1.00 0.00 O ATOM 1042 CB ALA A 73 4.091 -13.089 -3.476 1.00 0.00 C ATOM 0 H ALA A 73 1.549 -13.151 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 73 3.692 -15.152 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.147 -13.160 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.972 -13.209 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.709 -12.113 -3.176 1.00 0.00 H new ATOM 1048 N ALA A 74 4.789 -14.116 -0.817 1.00 0.00 N ATOM 1049 CA ALA A 74 5.125 -14.029 0.605 1.00 0.00 C ATOM 1050 C ALA A 74 4.557 -12.758 1.238 1.00 0.00 C ATOM 1051 O ALA A 74 4.148 -12.766 2.402 1.00 0.00 O ATOM 1052 CB ALA A 74 6.634 -14.091 0.798 1.00 0.00 C ATOM 0 H ALA A 74 5.596 -14.199 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 74 4.670 -14.882 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.868 -14.025 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.013 -15.032 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.103 -13.260 0.271 1.00 0.00 H new ATOM 1058 N GLY A 75 4.530 -11.671 0.468 1.00 0.00 N ATOM 1059 CA GLY A 75 4.007 -10.414 0.967 1.00 0.00 C ATOM 1060 C GLY A 75 4.451 -9.230 0.134 1.00 0.00 C ATOM 1061 O GLY A 75 5.466 -9.303 -0.562 1.00 0.00 O ATOM 0 H GLY A 75 4.863 -11.642 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.918 -10.457 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.333 -10.272 1.997 1.00 0.00 H new ATOM 1065 N ASP A 76 3.696 -8.133 0.207 1.00 0.00 N ATOM 1066 CA ASP A 76 4.032 -6.930 -0.552 1.00 0.00 C ATOM 1067 C ASP A 76 4.831 -5.953 0.304 1.00 0.00 C ATOM 1068 O ASP A 76 6.013 -5.715 0.046 1.00 0.00 O ATOM 1069 CB ASP A 76 2.773 -6.253 -1.099 1.00 0.00 C ATOM 1070 CG ASP A 76 3.101 -5.233 -2.172 1.00 0.00 C ATOM 1071 OD1 ASP A 76 3.452 -5.643 -3.298 1.00 0.00 O ATOM 1072 OD2 ASP A 76 3.024 -4.029 -1.880 1.00 0.00 O ATOM 0 H ASP A 76 2.855 -8.053 0.779 1.00 0.00 H new ATOM 0 HA ASP A 76 4.650 -7.234 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.103 -7.009 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.240 -5.764 -0.284 1.00 0.00 H new ATOM 1077 N GLU A 77 4.186 -5.390 1.322 1.00 0.00 N ATOM 1078 CA GLU A 77 4.850 -4.442 2.213 1.00 0.00 C ATOM 1079 C GLU A 77 4.366 -4.604 3.653 1.00 0.00 C ATOM 1080 O GLU A 77 3.524 -5.457 3.944 1.00 0.00 O ATOM 1081 CB GLU A 77 4.624 -3.002 1.734 1.00 0.00 C ATOM 1082 CG GLU A 77 3.171 -2.665 1.432 1.00 0.00 C ATOM 1083 CD GLU A 77 3.012 -1.738 0.238 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.895 -0.877 0.029 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.005 -1.873 -0.485 1.00 0.00 O ATOM 0 H GLU A 77 3.209 -5.572 1.550 1.00 0.00 H new ATOM 0 HA GLU A 77 5.919 -4.655 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.994 -2.316 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.219 -2.832 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.621 -3.587 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.722 -2.199 2.309 1.00 0.00 H new ATOM 1092 N LEU A 78 4.909 -3.782 4.551 1.00 0.00 N ATOM 1093 CA LEU A 78 4.537 -3.828 5.963 1.00 0.00 C ATOM 1094 C LEU A 78 3.814 -2.544 6.371 1.00 0.00 C ATOM 1095 O LEU A 78 2.761 -2.591 7.010 1.00 0.00 O ATOM 1096 CB LEU A 78 5.782 -4.037 6.834 1.00 0.00 C ATOM 1097 CG LEU A 78 6.124 -5.497 7.147 1.00 0.00 C ATOM 1098 CD1 LEU A 78 7.346 -5.577 8.051 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.935 -6.202 7.788 1.00 0.00 C ATOM 0 H LEU A 78 5.609 -3.076 4.324 1.00 0.00 H new ATOM 0 HA LEU A 78 3.859 -4.668 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.636 -3.580 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.641 -3.504 7.774 1.00 0.00 H new ATOM 0 HG LEU A 78 6.356 -6.003 6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.574 -6.622 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.198 -5.113 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.142 -5.054 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.198 -7.238 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.669 -5.696 8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.086 -6.178 7.105 1.00 0.00 H new ATOM 1111 N ALA A 79 4.387 -1.399 5.994 1.00 0.00 N ATOM 1112 CA ALA A 79 3.802 -0.097 6.314 1.00 0.00 C ATOM 1113 C ALA A 79 4.346 0.993 5.390 1.00 0.00 C ATOM 1114 O ALA A 79 5.299 0.766 4.647 1.00 0.00 O ATOM 1115 CB ALA A 79 4.074 0.258 7.770 1.00 0.00 C ATOM 0 H ALA A 79 5.258 -1.348 5.465 1.00 0.00 H new ATOM 0 HA ALA A 79 2.725 -0.161 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.634 1.229 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.633 -0.500 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.150 0.299 7.940 1.00 0.00 H new ATOM 1121 N LEU A 80 3.737 2.176 5.445 1.00 0.00 N ATOM 1122 CA LEU A 80 4.164 3.305 4.616 1.00 0.00 C ATOM 1123 C LEU A 80 3.793 4.631 5.279 1.00 0.00 C ATOM 1124 O LEU A 80 2.672 5.119 5.139 1.00 0.00 O ATOM 1125 CB LEU A 80 3.532 3.214 3.223 1.00 0.00 C ATOM 1126 CG LEU A 80 4.097 4.191 2.186 1.00 0.00 C ATOM 1127 CD1 LEU A 80 4.135 3.550 0.806 1.00 0.00 C ATOM 1128 CD2 LEU A 80 3.277 5.473 2.159 1.00 0.00 C ATOM 0 H LEU A 80 2.945 2.379 6.055 1.00 0.00 H new ATOM 0 HA LEU A 80 5.248 3.262 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.660 2.198 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.460 3.387 3.316 1.00 0.00 H new ATOM 0 HG LEU A 80 5.118 4.441 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.539 4.261 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.767 2.663 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.125 3.267 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.692 6.155 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.245 5.239 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.306 5.944 3.141 1.00 0.00 H new ATOM 1140 N PHE A 81 4.750 5.206 6.005 1.00 0.00 N ATOM 1141 CA PHE A 81 4.529 6.474 6.701 1.00 0.00 C ATOM 1142 C PHE A 81 5.662 7.465 6.422 1.00 0.00 C ATOM 1143 O PHE A 81 6.821 7.074 6.294 1.00 0.00 O ATOM 1144 CB PHE A 81 4.397 6.237 8.212 1.00 0.00 C ATOM 1145 CG PHE A 81 5.548 5.477 8.816 1.00 0.00 C ATOM 1146 CD1 PHE A 81 6.748 6.111 9.090 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.427 4.126 9.107 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.806 5.415 9.643 1.00 0.00 C ATOM 1149 CE2 PHE A 81 6.482 3.425 9.660 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.672 4.070 9.928 1.00 0.00 C ATOM 0 H PHE A 81 5.684 4.816 6.127 1.00 0.00 H new ATOM 0 HA PHE A 81 3.601 6.905 6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.308 7.200 8.714 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.474 5.691 8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.859 7.162 8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.498 3.616 8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.736 5.922 9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.375 2.374 9.882 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.498 3.524 10.360 1.00 0.00 H new ATOM 1160 N PRO A 82 5.340 8.770 6.333 1.00 0.00 N ATOM 1161 CA PRO A 82 6.339 9.813 6.076 1.00 0.00 C ATOM 1162 C PRO A 82 7.238 10.060 7.288 1.00 0.00 C ATOM 1163 O PRO A 82 6.842 9.800 8.426 1.00 0.00 O ATOM 1164 CB PRO A 82 5.491 11.048 5.774 1.00 0.00 C ATOM 1165 CG PRO A 82 4.214 10.818 6.505 1.00 0.00 C ATOM 1166 CD PRO A 82 3.983 9.330 6.477 1.00 0.00 C ATOM 0 HA PRO A 82 7.019 9.542 5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.983 11.959 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.320 11.159 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.280 11.184 7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.390 11.350 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.501 8.982 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.340 9.040 5.646 1.00 0.00 H new ATOM 1174 N PRO A 83 8.467 10.565 7.057 1.00 0.00 N ATOM 1175 CA PRO A 83 9.428 10.850 8.133 1.00 0.00 C ATOM 1176 C PRO A 83 8.903 11.887 9.127 1.00 0.00 C ATOM 1177 O PRO A 83 7.738 12.288 9.062 1.00 0.00 O ATOM 1178 CB PRO A 83 10.655 11.395 7.389 1.00 0.00 C ATOM 1179 CG PRO A 83 10.495 10.936 5.983 1.00 0.00 C ATOM 1180 CD PRO A 83 9.016 10.899 5.730 1.00 0.00 C ATOM 0 HA PRO A 83 9.637 9.963 8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.699 12.483 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.580 11.016 7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.993 11.615 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.941 9.952 5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.643 11.857 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.752 10.151 4.983 1.00 0.00 H new