USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 432 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 THR N :NH3+ 177:sc= -0.88 (180deg=-0.972) USER MOD Single : A 1 THR OG1 : rot -131:sc= 0.495 USER MOD Single : A 4 GLN : amide:sc= -1.04 K(o=-1,f=-8.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -6.12! C(o=-9!,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0782) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0278 (180deg=-0.223) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= -2.14! USER MOD Single : A 30 ASN :FLIP amide:sc= 0.659 F(o=0,f=0.66) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0303) USER MOD Single : A 37 THR OG1 : rot 106:sc= -2.44! USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0735 F(o=-0.88,f=-0.073) USER MOD Single : A 45 LYS NZ :NH3+ 139:sc= -1.77 (180deg=-3.47!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS :FLIP no HE2:sc= -3.95 F(o=-9.6!,f=-4) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.779 24.474 7.176 1.00 0.00 N ATOM 2 CA THR A 1 1.961 24.296 5.708 1.00 0.00 C ATOM 3 C THR A 1 1.669 22.842 5.330 1.00 0.00 C ATOM 4 O THR A 1 1.505 22.515 4.172 1.00 0.00 O ATOM 5 CB THR A 1 3.403 24.643 5.331 1.00 0.00 C ATOM 6 OG1 THR A 1 3.592 24.422 3.940 1.00 0.00 O ATOM 7 CG2 THR A 1 4.368 23.761 6.125 1.00 0.00 C ATOM 0 H1 THR A 1 2.026 25.449 7.441 1.00 0.00 H new ATOM 0 H2 THR A 1 0.787 24.288 7.428 1.00 0.00 H new ATOM 0 H3 THR A 1 2.396 23.810 7.685 1.00 0.00 H new ATOM 0 HA THR A 1 1.276 24.953 5.172 1.00 0.00 H new ATOM 0 HB THR A 1 3.598 25.690 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.409 23.899 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.394 24.010 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.222 23.931 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.176 22.713 5.895 1.00 0.00 H new ATOM 17 N ILE A 2 1.605 21.970 6.301 1.00 0.00 N ATOM 18 CA ILE A 2 1.323 20.535 6.007 1.00 0.00 C ATOM 19 C ILE A 2 2.110 20.099 4.770 1.00 0.00 C ATOM 20 O ILE A 2 1.610 19.385 3.923 1.00 0.00 O ATOM 21 CB ILE A 2 -0.176 20.348 5.760 1.00 0.00 C ATOM 22 CG1 ILE A 2 -0.488 18.854 5.634 1.00 0.00 C ATOM 23 CG2 ILE A 2 -0.582 21.061 4.469 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.976 18.618 5.909 1.00 0.00 C ATOM 0 H ILE A 2 1.736 22.191 7.288 1.00 0.00 H new ATOM 0 HA ILE A 2 1.626 19.925 6.858 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.733 20.771 6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.231 18.501 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.118 18.284 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.650 20.924 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.362 22.125 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.024 20.642 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.198 17.555 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.218 18.956 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.572 19.176 5.187 1.00 0.00 H new ATOM 36 N ASP A 3 3.341 20.516 4.664 1.00 0.00 N ATOM 37 CA ASP A 3 4.163 20.116 3.489 1.00 0.00 C ATOM 38 C ASP A 3 4.434 18.612 3.554 1.00 0.00 C ATOM 39 O ASP A 3 4.944 18.020 2.624 1.00 0.00 O ATOM 40 CB ASP A 3 5.491 20.875 3.513 1.00 0.00 C ATOM 41 CG ASP A 3 5.576 21.789 2.291 1.00 0.00 C ATOM 42 OD1 ASP A 3 5.592 21.269 1.187 1.00 0.00 O ATOM 43 OD2 ASP A 3 5.622 22.993 2.478 1.00 0.00 O ATOM 0 H ASP A 3 3.813 21.116 5.340 1.00 0.00 H new ATOM 0 HA ASP A 3 3.628 20.353 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.570 21.464 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.324 20.172 3.514 1.00 0.00 H new ATOM 48 N GLN A 4 4.095 17.990 4.651 1.00 0.00 N ATOM 49 CA GLN A 4 4.328 16.526 4.784 1.00 0.00 C ATOM 50 C GLN A 4 3.318 15.764 3.921 1.00 0.00 C ATOM 51 O GLN A 4 3.340 14.553 3.854 1.00 0.00 O ATOM 52 CB GLN A 4 4.148 16.123 6.250 1.00 0.00 C ATOM 53 CG GLN A 4 5.518 15.855 6.878 1.00 0.00 C ATOM 54 CD GLN A 4 6.211 17.184 7.183 1.00 0.00 C ATOM 55 OE1 GLN A 4 6.013 18.160 6.485 1.00 0.00 O ATOM 56 NE2 GLN A 4 7.020 17.266 8.203 1.00 0.00 N ATOM 0 H GLN A 4 3.666 18.435 5.462 1.00 0.00 H new ATOM 0 HA GLN A 4 5.339 16.285 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.635 16.915 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.524 15.232 6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.402 15.275 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.130 15.261 6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.187 16.448 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.486 18.148 8.415 1.00 0.00 H new ATOM 65 N TRP A 5 2.426 16.466 3.273 1.00 0.00 N ATOM 66 CA TRP A 5 1.405 15.795 2.426 1.00 0.00 C ATOM 67 C TRP A 5 2.025 14.623 1.643 1.00 0.00 C ATOM 68 O TRP A 5 2.148 13.529 2.157 1.00 0.00 O ATOM 69 CB TRP A 5 0.803 16.829 1.469 1.00 0.00 C ATOM 70 CG TRP A 5 -0.517 16.339 0.990 1.00 0.00 C ATOM 71 CD1 TRP A 5 -1.687 16.585 1.611 1.00 0.00 C ATOM 72 CD2 TRP A 5 -0.832 15.527 -0.182 1.00 0.00 C ATOM 73 NE1 TRP A 5 -2.707 15.982 0.900 1.00 0.00 N ATOM 74 CE2 TRP A 5 -2.231 15.315 -0.214 1.00 0.00 C ATOM 75 CE3 TRP A 5 -0.052 14.958 -1.209 1.00 0.00 C ATOM 76 CZ2 TRP A 5 -2.836 14.570 -1.227 1.00 0.00 C ATOM 77 CZ3 TRP A 5 -0.658 14.206 -2.229 1.00 0.00 C ATOM 78 CH2 TRP A 5 -2.048 14.014 -2.237 1.00 0.00 C ATOM 0 H TRP A 5 2.363 17.484 3.297 1.00 0.00 H new ATOM 0 HA TRP A 5 0.620 15.384 3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.687 17.787 1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.472 16.994 0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.808 17.160 2.517 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.691 16.024 1.165 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.018 15.101 -1.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -3.906 14.424 -1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.051 13.774 -3.011 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.509 13.436 -3.025 1.00 0.00 H new ATOM 89 N LEU A 6 2.407 14.835 0.407 1.00 0.00 N ATOM 90 CA LEU A 6 3.006 13.734 -0.404 1.00 0.00 C ATOM 91 C LEU A 6 2.286 12.411 -0.121 1.00 0.00 C ATOM 92 O LEU A 6 2.866 11.349 -0.233 1.00 0.00 O ATOM 93 CB LEU A 6 4.481 13.597 -0.044 1.00 0.00 C ATOM 94 CG LEU A 6 5.289 14.666 -0.780 1.00 0.00 C ATOM 95 CD1 LEU A 6 5.328 14.341 -2.275 1.00 0.00 C ATOM 96 CD2 LEU A 6 4.633 16.032 -0.572 1.00 0.00 C ATOM 0 H LEU A 6 2.328 15.730 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 6 2.900 13.971 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.614 13.703 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.841 12.604 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 6 6.306 14.686 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.904 15.104 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.795 13.368 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.312 14.320 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.208 16.795 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.616 16.011 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.607 16.265 0.493 1.00 0.00 H new ATOM 108 N LEU A 7 1.033 12.466 0.250 1.00 0.00 N ATOM 109 CA LEU A 7 0.278 11.213 0.550 1.00 0.00 C ATOM 110 C LEU A 7 1.180 10.249 1.317 1.00 0.00 C ATOM 111 O LEU A 7 1.651 9.263 0.789 1.00 0.00 O ATOM 112 CB LEU A 7 -0.195 10.550 -0.752 1.00 0.00 C ATOM 113 CG LEU A 7 -0.973 9.246 -0.464 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.051 8.044 -0.663 1.00 0.00 C ATOM 115 CD2 LEU A 7 -1.524 9.230 0.971 1.00 0.00 C ATOM 0 H LEU A 7 0.498 13.328 0.358 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.594 11.461 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.831 11.241 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.665 10.331 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.813 9.194 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.602 7.126 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.311 8.030 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.796 8.118 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.066 8.300 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.698 9.304 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.199 10.074 1.111 1.00 0.00 H new ATOM 127 N LYS A 8 1.419 10.526 2.564 1.00 0.00 N ATOM 128 CA LYS A 8 2.279 9.626 3.373 1.00 0.00 C ATOM 129 C LYS A 8 1.551 9.295 4.673 1.00 0.00 C ATOM 130 O LYS A 8 2.137 8.831 5.631 1.00 0.00 O ATOM 131 CB LYS A 8 3.608 10.320 3.670 1.00 0.00 C ATOM 132 CG LYS A 8 4.428 10.401 2.380 1.00 0.00 C ATOM 133 CD LYS A 8 5.917 10.409 2.723 1.00 0.00 C ATOM 134 CE LYS A 8 6.347 9.009 3.161 1.00 0.00 C ATOM 135 NZ LYS A 8 7.827 8.889 3.044 1.00 0.00 N ATOM 0 H LYS A 8 1.055 11.340 3.060 1.00 0.00 H new ATOM 0 HA LYS A 8 2.483 8.705 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.430 11.320 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.159 9.768 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.197 9.553 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.167 11.303 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.499 10.725 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.114 11.127 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.036 8.826 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.860 8.256 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.123 7.937 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.111 9.047 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.282 9.599 3.653 1.00 0.00 H new ATOM 149 N ASN A 9 0.266 9.521 4.702 1.00 0.00 N ATOM 150 CA ASN A 9 -0.524 9.213 5.922 1.00 0.00 C ATOM 151 C ASN A 9 -0.932 7.740 5.873 1.00 0.00 C ATOM 152 O ASN A 9 -0.780 7.009 6.831 1.00 0.00 O ATOM 153 CB ASN A 9 -1.774 10.100 5.960 1.00 0.00 C ATOM 154 CG ASN A 9 -2.700 9.738 4.796 1.00 0.00 C ATOM 155 OD1 ASN A 9 -2.466 10.231 3.608 1.00 0.00 O flip ATOM 156 ND2 ASN A 9 -3.652 9.003 4.969 1.00 0.00 N flip ATOM 0 H ASN A 9 -0.272 9.908 3.927 1.00 0.00 H new ATOM 0 HA ASN A 9 0.070 9.404 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.297 9.968 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.488 11.150 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.837 8.617 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.266 8.772 4.188 1.00 0.00 H new ATOM 163 N ALA A 10 -1.434 7.297 4.751 1.00 0.00 N ATOM 164 CA ALA A 10 -1.834 5.869 4.626 1.00 0.00 C ATOM 165 C ALA A 10 -0.588 5.027 4.339 1.00 0.00 C ATOM 166 O ALA A 10 -0.605 3.818 4.434 1.00 0.00 O ATOM 167 CB ALA A 10 -2.832 5.712 3.478 1.00 0.00 C ATOM 0 H ALA A 10 -1.584 7.864 3.917 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.301 5.536 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.123 4.665 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.715 6.318 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.370 6.040 2.547 1.00 0.00 H new ATOM 173 N LYS A 11 0.494 5.658 3.975 1.00 0.00 N ATOM 174 CA LYS A 11 1.736 4.887 3.679 1.00 0.00 C ATOM 175 C LYS A 11 2.008 3.887 4.805 1.00 0.00 C ATOM 176 O LYS A 11 1.918 2.691 4.614 1.00 0.00 O ATOM 177 CB LYS A 11 2.918 5.847 3.544 1.00 0.00 C ATOM 178 CG LYS A 11 3.177 6.125 2.061 1.00 0.00 C ATOM 179 CD LYS A 11 4.101 5.045 1.492 1.00 0.00 C ATOM 180 CE LYS A 11 5.536 5.572 1.443 1.00 0.00 C ATOM 181 NZ LYS A 11 6.283 5.097 2.642 1.00 0.00 N ATOM 0 H LYS A 11 0.573 6.669 3.870 1.00 0.00 H new ATOM 0 HA LYS A 11 1.605 4.343 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.707 6.779 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.806 5.416 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.235 6.138 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.631 7.108 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.053 4.148 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.773 4.761 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.030 5.228 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.533 6.662 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.292 5.325 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.910 5.567 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.168 4.068 2.737 1.00 0.00 H new ATOM 195 N GLU A 12 2.346 4.357 5.974 1.00 0.00 N ATOM 196 CA GLU A 12 2.625 3.414 7.095 1.00 0.00 C ATOM 197 C GLU A 12 1.395 3.303 7.997 1.00 0.00 C ATOM 198 O GLU A 12 1.216 2.327 8.699 1.00 0.00 O ATOM 199 CB GLU A 12 3.815 3.923 7.911 1.00 0.00 C ATOM 200 CG GLU A 12 4.667 2.732 8.351 1.00 0.00 C ATOM 201 CD GLU A 12 6.022 3.226 8.861 1.00 0.00 C ATOM 202 OE1 GLU A 12 6.029 4.067 9.746 1.00 0.00 O ATOM 203 OE2 GLU A 12 7.029 2.756 8.358 1.00 0.00 O ATOM 0 H GLU A 12 2.441 5.347 6.201 1.00 0.00 H new ATOM 0 HA GLU A 12 2.860 2.431 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.412 4.613 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.464 4.476 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.154 2.176 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.810 2.047 7.515 1.00 0.00 H new ATOM 210 N ASP A 13 0.543 4.289 7.983 1.00 0.00 N ATOM 211 CA ASP A 13 -0.676 4.227 8.841 1.00 0.00 C ATOM 212 C ASP A 13 -1.681 3.267 8.209 1.00 0.00 C ATOM 213 O ASP A 13 -2.581 2.772 8.859 1.00 0.00 O ATOM 214 CB ASP A 13 -1.298 5.621 8.955 1.00 0.00 C ATOM 215 CG ASP A 13 -2.003 5.757 10.307 1.00 0.00 C ATOM 216 OD1 ASP A 13 -2.703 4.832 10.683 1.00 0.00 O ATOM 217 OD2 ASP A 13 -1.833 6.785 10.942 1.00 0.00 O ATOM 0 H ASP A 13 0.636 5.133 7.417 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.406 3.875 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.526 6.384 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.009 5.781 8.144 1.00 0.00 H new ATOM 222 N ALA A 14 -1.526 2.995 6.947 1.00 0.00 N ATOM 223 CA ALA A 14 -2.456 2.058 6.261 1.00 0.00 C ATOM 224 C ALA A 14 -1.763 0.708 6.111 1.00 0.00 C ATOM 225 O ALA A 14 -2.339 -0.329 6.361 1.00 0.00 O ATOM 226 CB ALA A 14 -2.807 2.603 4.878 1.00 0.00 C ATOM 0 H ALA A 14 -0.791 3.383 6.356 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.370 1.949 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.488 1.915 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.286 3.577 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.897 2.707 4.286 1.00 0.00 H new ATOM 232 N ILE A 15 -0.522 0.716 5.711 1.00 0.00 N ATOM 233 CA ILE A 15 0.222 -0.563 5.551 1.00 0.00 C ATOM 234 C ILE A 15 0.162 -1.342 6.862 1.00 0.00 C ATOM 235 O ILE A 15 0.217 -2.555 6.881 1.00 0.00 O ATOM 236 CB ILE A 15 1.682 -0.254 5.226 1.00 0.00 C ATOM 237 CG1 ILE A 15 1.796 0.244 3.786 1.00 0.00 C ATOM 238 CG2 ILE A 15 2.530 -1.516 5.396 1.00 0.00 C ATOM 239 CD1 ILE A 15 3.218 0.752 3.544 1.00 0.00 C ATOM 0 H ILE A 15 0.010 1.557 5.487 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.222 -1.151 4.748 1.00 0.00 H new ATOM 0 HB ILE A 15 2.042 0.518 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.561 -0.561 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.076 1.042 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.570 -1.289 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.457 -1.867 6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.168 -2.292 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.307 1.109 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.435 1.569 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.927 -0.059 3.709 1.00 0.00 H new ATOM 251 N ALA A 16 0.062 -0.649 7.958 1.00 0.00 N ATOM 252 CA ALA A 16 0.008 -1.343 9.276 1.00 0.00 C ATOM 253 C ALA A 16 -1.242 -2.220 9.336 1.00 0.00 C ATOM 254 O ALA A 16 -1.237 -3.299 9.894 1.00 0.00 O ATOM 255 CB ALA A 16 -0.044 -0.304 10.399 1.00 0.00 C ATOM 0 H ALA A 16 0.015 0.369 8.001 1.00 0.00 H new ATOM 0 HA ALA A 16 0.896 -1.964 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.084 -0.812 11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.846 0.324 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.932 0.317 10.279 1.00 0.00 H new ATOM 261 N GLU A 17 -2.318 -1.752 8.771 1.00 0.00 N ATOM 262 CA GLU A 17 -3.582 -2.526 8.790 1.00 0.00 C ATOM 263 C GLU A 17 -3.644 -3.473 7.585 1.00 0.00 C ATOM 264 O GLU A 17 -4.437 -4.394 7.552 1.00 0.00 O ATOM 265 CB GLU A 17 -4.740 -1.536 8.720 1.00 0.00 C ATOM 266 CG GLU A 17 -6.063 -2.292 8.786 1.00 0.00 C ATOM 267 CD GLU A 17 -7.033 -1.548 9.706 1.00 0.00 C ATOM 268 OE1 GLU A 17 -6.748 -1.461 10.890 1.00 0.00 O ATOM 269 OE2 GLU A 17 -8.044 -1.076 9.212 1.00 0.00 O ATOM 0 H GLU A 17 -2.373 -0.854 8.291 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.639 -3.123 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.674 -0.825 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.684 -0.960 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.491 -2.384 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.897 -3.304 9.157 1.00 0.00 H new ATOM 276 N LEU A 18 -2.821 -3.257 6.594 1.00 0.00 N ATOM 277 CA LEU A 18 -2.849 -4.149 5.396 1.00 0.00 C ATOM 278 C LEU A 18 -2.010 -5.399 5.663 1.00 0.00 C ATOM 279 O LEU A 18 -2.304 -6.470 5.170 1.00 0.00 O ATOM 280 CB LEU A 18 -2.281 -3.403 4.184 1.00 0.00 C ATOM 281 CG LEU A 18 -3.057 -2.103 3.977 1.00 0.00 C ATOM 282 CD1 LEU A 18 -2.343 -1.244 2.933 1.00 0.00 C ATOM 283 CD2 LEU A 18 -4.472 -2.423 3.495 1.00 0.00 C ATOM 0 H LEU A 18 -2.133 -2.505 6.561 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.879 -4.441 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.224 -3.187 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.352 -4.027 3.293 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.111 -1.559 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.896 -0.317 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.335 -1.014 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.288 -1.788 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.025 -1.495 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.421 -2.968 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.981 -3.034 4.241 1.00 0.00 H new ATOM 295 N LYS A 19 -0.967 -5.278 6.436 1.00 0.00 N ATOM 296 CA LYS A 19 -0.116 -6.465 6.728 1.00 0.00 C ATOM 297 C LYS A 19 -0.929 -7.487 7.522 1.00 0.00 C ATOM 298 O LYS A 19 -0.779 -8.680 7.353 1.00 0.00 O ATOM 299 CB LYS A 19 1.100 -6.031 7.545 1.00 0.00 C ATOM 300 CG LYS A 19 2.335 -5.998 6.644 1.00 0.00 C ATOM 301 CD LYS A 19 3.582 -6.271 7.483 1.00 0.00 C ATOM 302 CE LYS A 19 4.525 -5.070 7.402 1.00 0.00 C ATOM 303 NZ LYS A 19 5.271 -4.937 8.685 1.00 0.00 N ATOM 0 H LYS A 19 -0.667 -4.409 6.878 1.00 0.00 H new ATOM 0 HA LYS A 19 0.219 -6.914 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.927 -5.046 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.260 -6.721 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.243 -6.745 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.417 -5.027 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.302 -6.457 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.086 -7.168 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.223 -5.197 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.957 -4.161 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.913 -4.120 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.598 -4.797 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.824 -5.801 8.856 1.00 0.00 H new ATOM 317 N LYS A 20 -1.791 -7.026 8.384 1.00 0.00 N ATOM 318 CA LYS A 20 -2.618 -7.969 9.186 1.00 0.00 C ATOM 319 C LYS A 20 -3.856 -8.366 8.379 1.00 0.00 C ATOM 320 O LYS A 20 -4.583 -9.269 8.743 1.00 0.00 O ATOM 321 CB LYS A 20 -3.053 -7.289 10.484 1.00 0.00 C ATOM 322 CG LYS A 20 -3.926 -6.077 10.155 1.00 0.00 C ATOM 323 CD LYS A 20 -5.191 -6.111 11.013 1.00 0.00 C ATOM 324 CE LYS A 20 -4.992 -5.233 12.250 1.00 0.00 C ATOM 325 NZ LYS A 20 -4.062 -5.913 13.196 1.00 0.00 N ATOM 0 H LYS A 20 -1.959 -6.037 8.568 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.034 -8.858 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.607 -7.991 11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.178 -6.977 11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.373 -5.156 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.191 -6.083 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.045 -5.756 10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.413 -7.135 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.588 -4.263 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.950 -5.047 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.070 -5.415 14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.368 -6.897 13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.099 -5.902 12.804 1.00 0.00 H new ATOM 339 N ALA A 21 -4.101 -7.699 7.285 1.00 0.00 N ATOM 340 CA ALA A 21 -5.290 -8.039 6.454 1.00 0.00 C ATOM 341 C ALA A 21 -5.167 -9.483 5.964 1.00 0.00 C ATOM 342 O ALA A 21 -6.122 -10.234 5.970 1.00 0.00 O ATOM 343 CB ALA A 21 -5.360 -7.095 5.253 1.00 0.00 C ATOM 0 H ALA A 21 -3.529 -6.933 6.930 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.196 -7.932 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.230 -7.344 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.444 -6.066 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.456 -7.201 4.653 1.00 0.00 H new ATOM 349 N GLY A 22 -3.996 -9.876 5.541 1.00 0.00 N ATOM 350 CA GLY A 22 -3.811 -11.273 5.053 1.00 0.00 C ATOM 351 C GLY A 22 -2.868 -11.277 3.848 1.00 0.00 C ATOM 352 O GLY A 22 -2.381 -12.311 3.435 1.00 0.00 O ATOM 0 H GLY A 22 -3.161 -9.291 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.402 -11.896 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.774 -11.702 4.775 1.00 0.00 H new ATOM 356 N ILE A 23 -2.606 -10.133 3.277 1.00 0.00 N ATOM 357 CA ILE A 23 -1.698 -10.083 2.095 1.00 0.00 C ATOM 358 C ILE A 23 -0.340 -9.512 2.507 1.00 0.00 C ATOM 359 O ILE A 23 -0.247 -8.650 3.358 1.00 0.00 O ATOM 360 CB ILE A 23 -2.307 -9.187 1.014 1.00 0.00 C ATOM 361 CG1 ILE A 23 -3.830 -9.333 1.018 1.00 0.00 C ATOM 362 CG2 ILE A 23 -1.764 -9.598 -0.356 1.00 0.00 C ATOM 363 CD1 ILE A 23 -4.442 -8.254 0.122 1.00 0.00 C ATOM 0 H ILE A 23 -2.980 -9.233 3.577 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.568 -11.093 1.707 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.042 -8.150 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.113 -10.323 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.213 -9.239 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.198 -8.960 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.679 -9.491 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.027 -10.637 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.527 -8.354 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.168 -7.269 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.067 -8.369 -0.895 1.00 0.00 H new ATOM 375 N THR A 24 0.712 -9.978 1.894 1.00 0.00 N ATOM 376 CA THR A 24 2.066 -9.459 2.228 1.00 0.00 C ATOM 377 C THR A 24 2.832 -9.206 0.928 1.00 0.00 C ATOM 378 O THR A 24 4.037 -9.050 0.921 1.00 0.00 O ATOM 379 CB THR A 24 2.820 -10.487 3.079 1.00 0.00 C ATOM 380 OG1 THR A 24 2.450 -11.798 2.674 1.00 0.00 O ATOM 381 CG2 THR A 24 2.470 -10.285 4.553 1.00 0.00 C ATOM 0 H THR A 24 0.691 -10.699 1.173 1.00 0.00 H new ATOM 0 HA THR A 24 1.976 -8.531 2.792 1.00 0.00 H new ATOM 0 HB THR A 24 3.894 -10.356 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.933 -12.456 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.006 -11.016 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.757 -9.279 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.397 -10.415 4.693 1.00 0.00 H new ATOM 389 N SER A 25 2.134 -9.167 -0.175 1.00 0.00 N ATOM 390 CA SER A 25 2.806 -8.924 -1.481 1.00 0.00 C ATOM 391 C SER A 25 3.523 -7.574 -1.442 1.00 0.00 C ATOM 392 O SER A 25 3.671 -6.969 -0.398 1.00 0.00 O ATOM 393 CB SER A 25 1.757 -8.914 -2.595 1.00 0.00 C ATOM 394 OG SER A 25 1.023 -10.131 -2.560 1.00 0.00 O ATOM 0 H SER A 25 1.123 -9.294 -0.226 1.00 0.00 H new ATOM 0 HA SER A 25 3.533 -9.714 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.084 -8.066 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.241 -8.795 -3.565 1.00 0.00 H new ATOM 0 HG SER A 25 0.349 -10.127 -3.271 1.00 0.00 H new ATOM 400 N ASP A 26 3.970 -7.096 -2.569 1.00 0.00 N ATOM 401 CA ASP A 26 4.678 -5.785 -2.590 1.00 0.00 C ATOM 402 C ASP A 26 4.020 -4.855 -3.612 1.00 0.00 C ATOM 403 O ASP A 26 4.230 -3.663 -3.599 1.00 0.00 O ATOM 404 CB ASP A 26 6.144 -6.002 -2.968 1.00 0.00 C ATOM 405 CG ASP A 26 7.042 -5.462 -1.852 1.00 0.00 C ATOM 406 OD1 ASP A 26 6.770 -4.372 -1.377 1.00 0.00 O ATOM 407 OD2 ASP A 26 7.985 -6.147 -1.492 1.00 0.00 O ATOM 0 H ASP A 26 3.876 -7.555 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 26 4.619 -5.330 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.338 -7.063 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.368 -5.496 -3.907 1.00 0.00 H new ATOM 412 N PHE A 27 3.223 -5.378 -4.497 1.00 0.00 N ATOM 413 CA PHE A 27 2.564 -4.500 -5.502 1.00 0.00 C ATOM 414 C PHE A 27 1.347 -3.824 -4.855 1.00 0.00 C ATOM 415 O PHE A 27 0.744 -2.934 -5.422 1.00 0.00 O ATOM 416 CB PHE A 27 2.132 -5.348 -6.709 1.00 0.00 C ATOM 417 CG PHE A 27 1.000 -4.671 -7.451 1.00 0.00 C ATOM 418 CD1 PHE A 27 1.167 -3.379 -7.958 1.00 0.00 C ATOM 419 CD2 PHE A 27 -0.214 -5.344 -7.636 1.00 0.00 C ATOM 420 CE1 PHE A 27 0.118 -2.754 -8.643 1.00 0.00 C ATOM 421 CE2 PHE A 27 -1.264 -4.720 -8.322 1.00 0.00 C ATOM 422 CZ PHE A 27 -1.097 -3.426 -8.827 1.00 0.00 C ATOM 0 H PHE A 27 2.999 -6.371 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 27 3.256 -3.731 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.978 -5.495 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.816 -6.336 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.106 -2.863 -7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.341 -6.345 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.246 -1.754 -9.030 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.202 -5.237 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.905 -2.945 -9.359 1.00 0.00 H new ATOM 432 N TYR A 28 0.989 -4.239 -3.672 1.00 0.00 N ATOM 433 CA TYR A 28 -0.180 -3.625 -2.982 1.00 0.00 C ATOM 434 C TYR A 28 0.328 -2.662 -1.916 1.00 0.00 C ATOM 435 O TYR A 28 -0.354 -1.744 -1.505 1.00 0.00 O ATOM 436 CB TYR A 28 -1.000 -4.729 -2.319 1.00 0.00 C ATOM 437 CG TYR A 28 -1.357 -5.741 -3.366 1.00 0.00 C ATOM 438 CD1 TYR A 28 -1.711 -5.303 -4.642 1.00 0.00 C ATOM 439 CD2 TYR A 28 -1.342 -7.105 -3.068 1.00 0.00 C ATOM 440 CE1 TYR A 28 -2.048 -6.228 -5.628 1.00 0.00 C ATOM 441 CE2 TYR A 28 -1.680 -8.038 -4.056 1.00 0.00 C ATOM 442 CZ TYR A 28 -2.034 -7.598 -5.339 1.00 0.00 C ATOM 443 OH TYR A 28 -2.364 -8.512 -6.317 1.00 0.00 O ATOM 0 H TYR A 28 1.458 -4.980 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.801 -3.087 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.429 -5.197 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.902 -4.314 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.724 -4.247 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.070 -7.440 -2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.320 -5.888 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.668 -9.094 -3.830 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.879 -9.349 -6.160 1.00 0.00 H new ATOM 453 N PHE A 29 1.525 -2.884 -1.464 1.00 0.00 N ATOM 454 CA PHE A 29 2.109 -2.009 -0.414 1.00 0.00 C ATOM 455 C PHE A 29 2.989 -0.939 -1.063 1.00 0.00 C ATOM 456 O PHE A 29 2.838 0.239 -0.807 1.00 0.00 O ATOM 457 CB PHE A 29 2.944 -2.878 0.523 1.00 0.00 C ATOM 458 CG PHE A 29 2.014 -3.762 1.322 1.00 0.00 C ATOM 459 CD1 PHE A 29 1.542 -4.958 0.767 1.00 0.00 C ATOM 460 CD2 PHE A 29 1.615 -3.384 2.610 1.00 0.00 C ATOM 461 CE1 PHE A 29 0.673 -5.775 1.498 1.00 0.00 C ATOM 462 CE2 PHE A 29 0.748 -4.203 3.343 1.00 0.00 C ATOM 463 CZ PHE A 29 0.275 -5.398 2.787 1.00 0.00 C ATOM 0 H PHE A 29 2.131 -3.641 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 29 1.318 -1.511 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.644 -3.486 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.537 -2.252 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.849 -5.250 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.976 -2.461 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.309 -6.697 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.444 -3.913 4.338 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.396 -6.028 3.352 1.00 0.00 H new ATOM 473 N ASN A 30 3.906 -1.336 -1.901 1.00 0.00 N ATOM 474 CA ASN A 30 4.795 -0.340 -2.570 1.00 0.00 C ATOM 475 C ASN A 30 3.959 0.576 -3.462 1.00 0.00 C ATOM 476 O ASN A 30 4.382 1.653 -3.834 1.00 0.00 O ATOM 477 CB ASN A 30 5.819 -1.065 -3.442 1.00 0.00 C ATOM 478 CG ASN A 30 7.213 -0.910 -2.830 1.00 0.00 C ATOM 479 OD1 ASN A 30 7.782 0.265 -2.822 1.00 0.00 O flip ATOM 480 ND2 ASN A 30 7.790 -1.867 -2.355 1.00 0.00 N flip ATOM 0 H ASN A 30 4.080 -2.309 -2.153 1.00 0.00 H new ATOM 0 HA ASN A 30 5.306 0.246 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.561 -2.121 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.806 -0.656 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.346 -2.785 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.719 -1.753 -1.950 1.00 0.00 H new ATOM 487 N ALA A 31 2.776 0.156 -3.814 1.00 0.00 N ATOM 488 CA ALA A 31 1.916 1.000 -4.685 1.00 0.00 C ATOM 489 C ALA A 31 1.096 1.948 -3.810 1.00 0.00 C ATOM 490 O ALA A 31 0.118 2.525 -4.242 1.00 0.00 O ATOM 491 CB ALA A 31 0.977 0.106 -5.498 1.00 0.00 C ATOM 0 H ALA A 31 2.368 -0.736 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 31 2.538 1.579 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.347 0.725 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.565 -0.572 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.349 -0.473 -4.821 1.00 0.00 H new ATOM 497 N ILE A 32 1.492 2.106 -2.580 1.00 0.00 N ATOM 498 CA ILE A 32 0.754 3.005 -1.656 1.00 0.00 C ATOM 499 C ILE A 32 1.088 4.462 -1.990 1.00 0.00 C ATOM 500 O ILE A 32 0.243 5.221 -2.420 1.00 0.00 O ATOM 501 CB ILE A 32 1.188 2.699 -0.226 1.00 0.00 C ATOM 502 CG1 ILE A 32 0.586 1.360 0.220 1.00 0.00 C ATOM 503 CG2 ILE A 32 0.711 3.816 0.703 1.00 0.00 C ATOM 504 CD1 ILE A 32 -0.892 1.545 0.573 1.00 0.00 C ATOM 0 H ILE A 32 2.305 1.645 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.320 2.849 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 32 2.275 2.635 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.689 0.622 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.130 0.976 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.021 3.597 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.147 4.764 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.376 3.885 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.313 0.590 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.985 2.268 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.432 1.908 -0.301 1.00 0.00 H new ATOM 516 N ASN A 33 2.317 4.858 -1.794 1.00 0.00 N ATOM 517 CA ASN A 33 2.703 6.265 -2.101 1.00 0.00 C ATOM 518 C ASN A 33 2.251 6.609 -3.521 1.00 0.00 C ATOM 519 O ASN A 33 2.009 7.754 -3.847 1.00 0.00 O ATOM 520 CB ASN A 33 4.222 6.411 -1.998 1.00 0.00 C ATOM 521 CG ASN A 33 4.570 7.847 -1.601 1.00 0.00 C ATOM 522 OD1 ASN A 33 4.481 8.207 -0.444 1.00 0.00 O ATOM 523 ND2 ASN A 33 4.966 8.687 -2.518 1.00 0.00 N ATOM 0 H ASN A 33 3.069 4.269 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 33 2.227 6.941 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.616 5.713 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.688 6.163 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.201 9.646 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.041 8.384 -3.489 1.00 0.00 H new ATOM 530 N LYS A 34 2.132 5.622 -4.366 1.00 0.00 N ATOM 531 CA LYS A 34 1.694 5.884 -5.767 1.00 0.00 C ATOM 532 C LYS A 34 0.283 6.474 -5.758 1.00 0.00 C ATOM 533 O LYS A 34 -0.009 7.424 -6.457 1.00 0.00 O ATOM 534 CB LYS A 34 1.693 4.572 -6.554 1.00 0.00 C ATOM 535 CG LYS A 34 2.962 4.486 -7.403 1.00 0.00 C ATOM 536 CD LYS A 34 2.789 5.327 -8.670 1.00 0.00 C ATOM 537 CE LYS A 34 1.632 4.769 -9.503 1.00 0.00 C ATOM 538 NZ LYS A 34 2.019 4.767 -10.942 1.00 0.00 N ATOM 0 H LYS A 34 2.319 4.644 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 34 2.380 6.589 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.642 3.725 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.811 4.519 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.819 4.843 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.165 3.448 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.592 6.366 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.709 5.316 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.389 3.757 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.737 5.374 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.236 4.389 -11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.230 5.739 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.862 4.172 -11.074 1.00 0.00 H new ATOM 552 N ALA A 35 -0.597 5.912 -4.973 1.00 0.00 N ATOM 553 CA ALA A 35 -1.993 6.435 -4.917 1.00 0.00 C ATOM 554 C ALA A 35 -1.967 7.964 -4.890 1.00 0.00 C ATOM 555 O ALA A 35 -1.068 8.571 -4.342 1.00 0.00 O ATOM 556 CB ALA A 35 -2.675 5.915 -3.651 1.00 0.00 C ATOM 0 H ALA A 35 -0.409 5.113 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.544 6.099 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.696 6.295 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.694 4.825 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.122 6.254 -2.775 1.00 0.00 H new ATOM 562 N LYS A 36 -2.946 8.592 -5.482 1.00 0.00 N ATOM 563 CA LYS A 36 -2.975 10.081 -5.495 1.00 0.00 C ATOM 564 C LYS A 36 -3.252 10.607 -4.085 1.00 0.00 C ATOM 565 O LYS A 36 -2.425 11.263 -3.485 1.00 0.00 O ATOM 566 CB LYS A 36 -4.078 10.557 -6.442 1.00 0.00 C ATOM 567 CG LYS A 36 -3.683 10.238 -7.885 1.00 0.00 C ATOM 568 CD LYS A 36 -4.176 11.355 -8.806 1.00 0.00 C ATOM 569 CE LYS A 36 -4.065 10.903 -10.263 1.00 0.00 C ATOM 570 NZ LYS A 36 -2.628 10.825 -10.650 1.00 0.00 N ATOM 0 H LYS A 36 -3.726 8.138 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.010 10.458 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.020 10.068 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.235 11.629 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.600 10.138 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.114 9.284 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.210 11.605 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.586 12.258 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.540 9.931 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.590 11.602 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.553 10.600 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.168 11.739 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.159 10.081 -10.095 1.00 0.00 H new ATOM 584 N THR A 37 -4.411 10.329 -3.550 1.00 0.00 N ATOM 585 CA THR A 37 -4.730 10.820 -2.181 1.00 0.00 C ATOM 586 C THR A 37 -4.983 9.628 -1.258 1.00 0.00 C ATOM 587 O THR A 37 -4.629 8.508 -1.565 1.00 0.00 O ATOM 588 CB THR A 37 -5.979 11.704 -2.231 1.00 0.00 C ATOM 589 OG1 THR A 37 -7.132 10.895 -2.051 1.00 0.00 O ATOM 590 CG2 THR A 37 -6.059 12.413 -3.584 1.00 0.00 C ATOM 0 H THR A 37 -5.147 9.785 -4.001 1.00 0.00 H new ATOM 0 HA THR A 37 -3.891 11.402 -1.800 1.00 0.00 H new ATOM 0 HB THR A 37 -5.926 12.451 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.493 11.036 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.950 13.041 -3.614 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.173 13.033 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.111 11.671 -4.381 1.00 0.00 H new ATOM 598 N VAL A 38 -5.588 9.860 -0.126 1.00 0.00 N ATOM 599 CA VAL A 38 -5.860 8.742 0.822 1.00 0.00 C ATOM 600 C VAL A 38 -6.909 7.809 0.230 1.00 0.00 C ATOM 601 O VAL A 38 -6.691 6.624 0.096 1.00 0.00 O ATOM 602 CB VAL A 38 -6.362 9.318 2.144 1.00 0.00 C ATOM 603 CG1 VAL A 38 -6.422 8.211 3.198 1.00 0.00 C ATOM 604 CG2 VAL A 38 -5.402 10.417 2.606 1.00 0.00 C ATOM 0 H VAL A 38 -5.907 10.778 0.185 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.944 8.177 0.996 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.360 9.735 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.781 8.625 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.102 7.427 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.426 7.791 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.753 10.834 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.406 9.996 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.362 11.205 1.854 1.00 0.00 H new ATOM 614 N GLU A 39 -8.041 8.325 -0.130 1.00 0.00 N ATOM 615 CA GLU A 39 -9.084 7.445 -0.720 1.00 0.00 C ATOM 616 C GLU A 39 -8.450 6.626 -1.844 1.00 0.00 C ATOM 617 O GLU A 39 -8.922 5.565 -2.192 1.00 0.00 O ATOM 618 CB GLU A 39 -10.234 8.293 -1.275 1.00 0.00 C ATOM 619 CG GLU A 39 -9.705 9.238 -2.356 1.00 0.00 C ATOM 620 CD GLU A 39 -10.842 10.133 -2.854 1.00 0.00 C ATOM 621 OE1 GLU A 39 -11.693 9.633 -3.571 1.00 0.00 O ATOM 622 OE2 GLU A 39 -10.841 11.304 -2.512 1.00 0.00 O ATOM 0 H GLU A 39 -8.292 9.310 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.484 6.780 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.007 7.647 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.696 8.867 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.896 9.849 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.291 8.664 -3.185 1.00 0.00 H new ATOM 629 N GLU A 40 -7.370 7.107 -2.401 1.00 0.00 N ATOM 630 CA GLU A 40 -6.688 6.353 -3.490 1.00 0.00 C ATOM 631 C GLU A 40 -5.776 5.298 -2.869 1.00 0.00 C ATOM 632 O GLU A 40 -5.667 4.192 -3.357 1.00 0.00 O ATOM 633 CB GLU A 40 -5.854 7.316 -4.335 1.00 0.00 C ATOM 634 CG GLU A 40 -6.761 8.035 -5.336 1.00 0.00 C ATOM 635 CD GLU A 40 -6.304 7.711 -6.760 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.246 6.537 -7.089 1.00 0.00 O ATOM 637 OE2 GLU A 40 -6.022 8.640 -7.498 1.00 0.00 O ATOM 0 H GLU A 40 -6.931 7.992 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.431 5.870 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.356 8.042 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.073 6.770 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.796 7.723 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.726 9.111 -5.167 1.00 0.00 H new ATOM 644 N VAL A 41 -5.129 5.625 -1.784 1.00 0.00 N ATOM 645 CA VAL A 41 -4.239 4.634 -1.125 1.00 0.00 C ATOM 646 C VAL A 41 -5.097 3.464 -0.648 1.00 0.00 C ATOM 647 O VAL A 41 -4.905 2.332 -1.047 1.00 0.00 O ATOM 648 CB VAL A 41 -3.539 5.287 0.070 1.00 0.00 C ATOM 649 CG1 VAL A 41 -2.416 4.375 0.566 1.00 0.00 C ATOM 650 CG2 VAL A 41 -2.943 6.629 -0.355 1.00 0.00 C ATOM 0 H VAL A 41 -5.180 6.536 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.481 4.281 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.264 5.445 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.918 4.841 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.834 3.416 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.694 4.218 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.445 7.092 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.220 6.469 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.738 7.284 -0.711 1.00 0.00 H new ATOM 660 N ASN A 42 -6.058 3.734 0.191 1.00 0.00 N ATOM 661 CA ASN A 42 -6.950 2.649 0.684 1.00 0.00 C ATOM 662 C ASN A 42 -7.710 2.054 -0.504 1.00 0.00 C ATOM 663 O ASN A 42 -8.062 0.891 -0.511 1.00 0.00 O ATOM 664 CB ASN A 42 -7.944 3.233 1.691 1.00 0.00 C ATOM 665 CG ASN A 42 -7.180 3.764 2.905 1.00 0.00 C ATOM 666 OD1 ASN A 42 -6.704 4.978 2.878 1.00 0.00 O flip ATOM 667 ND2 ASN A 42 -7.016 3.067 3.887 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.264 4.663 0.558 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.360 1.871 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.518 4.036 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.657 2.469 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.389 2.118 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.506 3.431 4.691 1.00 0.00 H new ATOM 674 N ALA A 43 -7.963 2.848 -1.510 1.00 0.00 N ATOM 675 CA ALA A 43 -8.697 2.335 -2.701 1.00 0.00 C ATOM 676 C ALA A 43 -7.848 1.284 -3.414 1.00 0.00 C ATOM 677 O ALA A 43 -8.360 0.339 -3.981 1.00 0.00 O ATOM 678 CB ALA A 43 -8.979 3.488 -3.666 1.00 0.00 C ATOM 0 H ALA A 43 -7.692 3.830 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.637 1.889 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.516 3.111 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.585 4.242 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.037 3.934 -3.986 1.00 0.00 H new ATOM 684 N LEU A 44 -6.552 1.440 -3.396 1.00 0.00 N ATOM 685 CA LEU A 44 -5.679 0.448 -4.080 1.00 0.00 C ATOM 686 C LEU A 44 -5.877 -0.935 -3.443 1.00 0.00 C ATOM 687 O LEU A 44 -5.903 -1.942 -4.122 1.00 0.00 O ATOM 688 CB LEU A 44 -4.213 0.908 -3.976 1.00 0.00 C ATOM 689 CG LEU A 44 -3.507 0.213 -2.812 1.00 0.00 C ATOM 690 CD1 LEU A 44 -3.115 -1.205 -3.238 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.251 1.000 -2.434 1.00 0.00 C ATOM 0 H LEU A 44 -6.063 2.209 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.944 0.376 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.691 0.688 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.175 1.988 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.175 0.166 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.611 -1.707 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.010 -1.764 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.444 -1.155 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.747 0.505 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.579 1.046 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.531 2.011 -2.137 1.00 0.00 H new ATOM 703 N LYS A 45 -6.014 -0.992 -2.144 1.00 0.00 N ATOM 704 CA LYS A 45 -6.206 -2.308 -1.474 1.00 0.00 C ATOM 705 C LYS A 45 -7.555 -2.897 -1.885 1.00 0.00 C ATOM 706 O LYS A 45 -7.794 -4.080 -1.750 1.00 0.00 O ATOM 707 CB LYS A 45 -6.170 -2.122 0.045 1.00 0.00 C ATOM 708 CG LYS A 45 -5.691 -3.418 0.707 1.00 0.00 C ATOM 709 CD LYS A 45 -4.175 -3.556 0.533 1.00 0.00 C ATOM 710 CE LYS A 45 -3.704 -4.883 1.134 1.00 0.00 C ATOM 711 NZ LYS A 45 -2.213 -4.924 1.140 1.00 0.00 N ATOM 0 H LYS A 45 -6.001 -0.185 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.407 -2.986 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.503 -1.300 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.161 -1.858 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.946 -3.413 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.197 -4.274 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.915 -3.513 -0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.666 -2.724 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.086 -4.991 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.099 -5.718 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.881 -5.340 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.878 -5.503 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.839 -3.958 1.047 1.00 0.00 H new ATOM 725 N ASN A 46 -8.440 -2.082 -2.389 1.00 0.00 N ATOM 726 CA ASN A 46 -9.771 -2.598 -2.811 1.00 0.00 C ATOM 727 C ASN A 46 -9.614 -3.398 -4.107 1.00 0.00 C ATOM 728 O ASN A 46 -10.227 -4.431 -4.287 1.00 0.00 O ATOM 729 CB ASN A 46 -10.723 -1.423 -3.041 1.00 0.00 C ATOM 730 CG ASN A 46 -11.343 -1.002 -1.711 1.00 0.00 C ATOM 731 OD1 ASN A 46 -10.776 -0.057 -1.017 1.00 0.00 O flip ATOM 732 ND2 ASN A 46 -12.353 -1.538 -1.299 1.00 0.00 N flip ATOM 0 H ASN A 46 -8.298 -1.081 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.179 -3.244 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.184 -0.586 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.505 -1.707 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.796 -2.278 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.758 -1.248 -0.409 1.00 0.00 H new ATOM 739 N GLU A 47 -8.796 -2.930 -5.009 1.00 0.00 N ATOM 740 CA GLU A 47 -8.599 -3.667 -6.291 1.00 0.00 C ATOM 741 C GLU A 47 -8.001 -5.040 -5.997 1.00 0.00 C ATOM 742 O GLU A 47 -8.197 -5.979 -6.738 1.00 0.00 O ATOM 743 CB GLU A 47 -7.653 -2.878 -7.200 1.00 0.00 C ATOM 744 CG GLU A 47 -8.315 -1.560 -7.605 1.00 0.00 C ATOM 745 CD GLU A 47 -7.262 -0.621 -8.199 1.00 0.00 C ATOM 746 OE1 GLU A 47 -6.280 -0.360 -7.524 1.00 0.00 O ATOM 747 OE2 GLU A 47 -7.457 -0.179 -9.320 1.00 0.00 O ATOM 0 H GLU A 47 -8.256 -2.070 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.559 -3.787 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.714 -2.682 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.412 -3.464 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.104 -1.746 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.785 -1.095 -6.738 1.00 0.00 H new ATOM 754 N ILE A 48 -7.284 -5.169 -4.918 1.00 0.00 N ATOM 755 CA ILE A 48 -6.688 -6.488 -4.573 1.00 0.00 C ATOM 756 C ILE A 48 -7.810 -7.430 -4.146 1.00 0.00 C ATOM 757 O ILE A 48 -7.739 -8.627 -4.338 1.00 0.00 O ATOM 758 CB ILE A 48 -5.689 -6.309 -3.431 1.00 0.00 C ATOM 759 CG1 ILE A 48 -4.414 -5.684 -3.979 1.00 0.00 C ATOM 760 CG2 ILE A 48 -5.353 -7.665 -2.812 1.00 0.00 C ATOM 761 CD1 ILE A 48 -4.485 -4.163 -3.843 1.00 0.00 C ATOM 0 H ILE A 48 -7.084 -4.417 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.166 -6.906 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.127 -5.665 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.549 -6.067 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.283 -5.959 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.640 -7.527 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.263 -8.123 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.916 -8.313 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.570 -3.719 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.341 -3.787 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.594 -3.896 -2.792 1.00 0.00 H new ATOM 773 N LEU A 49 -8.856 -6.893 -3.585 1.00 0.00 N ATOM 774 CA LEU A 49 -9.993 -7.749 -3.160 1.00 0.00 C ATOM 775 C LEU A 49 -10.538 -8.487 -4.383 1.00 0.00 C ATOM 776 O LEU A 49 -11.046 -9.586 -4.282 1.00 0.00 O ATOM 777 CB LEU A 49 -11.093 -6.871 -2.559 1.00 0.00 C ATOM 778 CG LEU A 49 -11.059 -6.979 -1.035 1.00 0.00 C ATOM 779 CD1 LEU A 49 -9.671 -6.584 -0.525 1.00 0.00 C ATOM 780 CD2 LEU A 49 -12.107 -6.038 -0.435 1.00 0.00 C ATOM 0 H LEU A 49 -8.971 -5.896 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.659 -8.468 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.952 -5.834 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.068 -7.183 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.277 -8.005 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.647 -6.661 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.923 -7.251 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.453 -5.558 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.084 -6.114 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.888 -5.012 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.096 -6.317 -0.797 1.00 0.00 H new ATOM 792 N LYS A 50 -10.437 -7.891 -5.543 1.00 0.00 N ATOM 793 CA LYS A 50 -10.951 -8.563 -6.769 1.00 0.00 C ATOM 794 C LYS A 50 -9.819 -8.709 -7.792 1.00 0.00 C ATOM 795 O LYS A 50 -10.031 -9.142 -8.907 1.00 0.00 O ATOM 796 CB LYS A 50 -12.079 -7.721 -7.368 1.00 0.00 C ATOM 797 CG LYS A 50 -13.316 -7.824 -6.474 1.00 0.00 C ATOM 798 CD LYS A 50 -14.038 -6.476 -6.440 1.00 0.00 C ATOM 799 CE LYS A 50 -13.093 -5.401 -5.896 1.00 0.00 C ATOM 800 NZ LYS A 50 -13.894 -4.287 -5.314 1.00 0.00 N ATOM 0 H LYS A 50 -10.022 -6.971 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.329 -9.552 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.765 -6.681 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.313 -8.069 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.986 -8.597 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.025 -8.118 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.374 -6.206 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.927 -6.544 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.438 -5.828 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.453 -5.025 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.254 -3.556 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.502 -3.875 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.486 -4.652 -4.541 1.00 0.00 H new ATOM 814 N ALA A 51 -8.617 -8.352 -7.420 1.00 0.00 N ATOM 815 CA ALA A 51 -7.475 -8.472 -8.375 1.00 0.00 C ATOM 816 C ALA A 51 -6.651 -9.720 -8.048 1.00 0.00 C ATOM 817 O ALA A 51 -6.333 -10.509 -8.915 1.00 0.00 O ATOM 818 CB ALA A 51 -6.576 -7.236 -8.274 1.00 0.00 C ATOM 0 H ALA A 51 -8.377 -7.984 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.872 -8.551 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.746 -7.332 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.154 -6.345 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.187 -7.151 -7.259 1.00 0.00 H new ATOM 824 N HIS A 52 -6.287 -9.893 -6.807 1.00 0.00 N ATOM 825 CA HIS A 52 -5.464 -11.078 -6.432 1.00 0.00 C ATOM 826 C HIS A 52 -6.320 -12.095 -5.663 1.00 0.00 C ATOM 827 O HIS A 52 -5.881 -13.189 -5.369 1.00 0.00 O ATOM 828 CB HIS A 52 -4.269 -10.601 -5.583 1.00 0.00 C ATOM 829 CG HIS A 52 -4.533 -10.783 -4.109 1.00 0.00 C ATOM 830 ND1 HIS A 52 -5.664 -10.610 -3.350 1.00 0.00 N flip ATOM 831 CD2 HIS A 52 -3.545 -11.191 -3.230 1.00 0.00 C flip ATOM 832 CE1 HIS A 52 -5.383 -10.906 -2.019 1.00 0.00 C flip ATOM 833 NE2 HIS A 52 -4.091 -11.249 -2.003 1.00 0.00 N flip ATOM 0 H HIS A 52 -6.523 -9.266 -6.038 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.090 -11.573 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.375 -11.157 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.069 -9.550 -5.791 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.571 -10.310 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.521 -11.421 -3.484 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.062 -10.867 -1.180 1.00 0.00 H new ATOM 841 N ALA A 53 -7.532 -11.744 -5.338 1.00 0.00 N ATOM 842 CA ALA A 53 -8.403 -12.694 -4.590 1.00 0.00 C ATOM 843 C ALA A 53 -9.847 -12.559 -5.080 1.00 0.00 C ATOM 844 O ALA A 53 -10.746 -12.839 -4.304 1.00 0.00 O ATOM 845 CB ALA A 53 -8.336 -12.376 -3.093 1.00 0.00 C ATOM 846 OXT ALA A 53 -10.029 -12.179 -6.226 1.00 0.00 O ATOM 0 H ALA A 53 -7.957 -10.843 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.059 -13.714 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.973 -13.070 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.308 -12.475 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.680 -11.356 -2.922 1.00 0.00 H new TER 852 ALA A 53