USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 84 ASN : amide:sc= -3.42! C(o=-2!,f=-6.1!) USER MOD Set 1.2: A 85 THR OG1 : rot -78:sc= 1.41 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -156:sc= 0.684 (180deg=0.346) USER MOD Set 3.2: A 10 HIS : no HD1:sc= -2.33 K(o=-1.6,f=-0.33) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0988 (180deg=-0.0988) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.564 USER MOD Single : A 7 GLN : amide:sc= -4.27! C(o=-4.3!,f=-4.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 120:sc= -0.528! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.0574 (180deg=-0.408) USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= -3.48! (180deg=-9.01!) USER MOD Single : A 23 MET CE :methyl -122:sc= -0.547 (180deg=-3.72!) USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= -2.98! (180deg=-6.67!) USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -2.63! (180deg=-3.86!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -8.7! C(o=-8.7!,f=-9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0806) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0903 (180deg=-0.855) USER MOD Single : A 50 ASN : amide:sc= -0.65 K(o=-0.65,f=-0.044) USER MOD Single : A 54 ASN : amide:sc= -0.837 K(o=-0.84,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 59 SER OG : rot -135:sc= 0.139 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.0117 (180deg=-0.207) USER MOD Single : A 76 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.9) USER MOD Single : A 77 TYR OH : rot 97:sc= -0.279! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 5:sc= -0.714 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 89 THR OG1 : rot -85:sc= 0.0288 USER MOD Single : A 92 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.47) USER MOD Single : A 93 GLN : amide:sc= -4.06! C(o=-4.1!,f=-4.1!) USER MOD Single : A 97 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.406 9.536 1.837 1.00 1.00 N HETATM 2 CA PCA A 1 -7.123 10.804 1.690 1.00 1.00 C HETATM 3 CB PCA A 1 -6.371 11.788 2.517 1.00 1.00 C HETATM 4 CG PCA A 1 -5.194 11.096 2.807 1.00 1.00 C HETATM 5 CD PCA A 1 -5.260 9.674 2.617 1.00 1.00 C HETATM 6 OE PCA A 1 -4.514 8.709 3.014 1.00 1.00 O HETATM 7 C PCA A 1 -7.178 11.239 0.234 1.00 1.00 C HETATM 8 O PCA A 1 -7.696 12.292 -0.079 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.384 9.264 2.841 1.00 1.00 H new HETATM 0 HA PCA A 1 -8.159 10.717 2.016 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -6.176 12.712 1.972 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.916 12.060 3.421 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.394 11.494 2.182 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.919 11.296 3.843 1.00 1.00 H new ATOM 15 N ASP A 2 -6.652 10.442 -0.656 1.00 1.00 N ATOM 16 CA ASP A 2 -6.677 10.812 -2.100 1.00 1.00 C ATOM 17 C ASP A 2 -6.158 9.629 -2.924 1.00 1.00 C ATOM 18 O ASP A 2 -5.061 9.154 -2.723 1.00 1.00 O ATOM 19 CB ASP A 2 -5.783 12.039 -2.332 1.00 1.00 C ATOM 20 CG ASP A 2 -6.620 13.317 -2.221 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.475 13.517 -3.068 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.391 14.074 -1.291 1.00 1.00 O ATOM 0 H ASP A 2 -6.205 9.549 -0.445 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.696 11.052 -2.404 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -4.976 12.057 -1.599 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.319 11.981 -3.316 1.00 1.00 H new ATOM 27 N TRP A 3 -6.943 9.148 -3.846 1.00 1.00 N ATOM 28 CA TRP A 3 -6.500 7.991 -4.676 1.00 1.00 C ATOM 29 C TRP A 3 -5.103 8.267 -5.243 1.00 1.00 C ATOM 30 O TRP A 3 -4.304 7.368 -5.404 1.00 1.00 O ATOM 31 CB TRP A 3 -7.515 7.787 -5.808 1.00 1.00 C ATOM 32 CG TRP A 3 -6.926 6.995 -6.938 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.118 7.280 -8.246 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.083 5.798 -6.902 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.442 6.351 -9.014 1.00 1.00 N ATOM 36 CE2 TRP A 3 -5.790 5.419 -8.236 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.544 5.016 -5.862 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -4.996 4.310 -8.524 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.745 3.899 -6.153 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.472 3.546 -7.480 1.00 1.00 C ATOM 0 H TRP A 3 -7.874 9.506 -4.062 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.448 7.086 -4.070 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.395 7.272 -5.421 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -7.850 8.756 -6.177 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.705 8.102 -8.629 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.427 6.355 -10.034 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.747 5.277 -4.834 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -4.787 4.043 -9.550 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.338 3.307 -5.347 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -3.857 2.684 -7.695 1.00 1.00 H new ATOM 51 N GLU A 4 -4.798 9.500 -5.537 1.00 1.00 N ATOM 52 CA GLU A 4 -3.447 9.818 -6.085 1.00 1.00 C ATOM 53 C GLU A 4 -2.377 9.416 -5.071 1.00 1.00 C ATOM 54 O GLU A 4 -1.729 8.401 -5.214 1.00 1.00 O ATOM 55 CB GLU A 4 -3.348 11.318 -6.369 1.00 1.00 C ATOM 56 CG GLU A 4 -2.039 11.613 -7.106 1.00 1.00 C ATOM 57 CD GLU A 4 -1.917 13.119 -7.346 1.00 1.00 C ATOM 58 OE1 GLU A 4 -2.936 13.745 -7.589 1.00 1.00 O ATOM 59 OE2 GLU A 4 -0.806 13.620 -7.285 1.00 1.00 O ATOM 0 H GLU A 4 -5.422 10.299 -5.423 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.293 9.265 -7.012 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.197 11.642 -6.971 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.386 11.879 -5.435 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -1.191 11.257 -6.520 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -2.016 11.079 -8.056 1.00 1.00 H new ATOM 66 N THR A 5 -2.181 10.197 -4.044 1.00 1.00 N ATOM 67 CA THR A 5 -1.146 9.834 -3.038 1.00 1.00 C ATOM 68 C THR A 5 -1.367 8.388 -2.602 1.00 1.00 C ATOM 69 O THR A 5 -0.449 7.592 -2.576 1.00 1.00 O ATOM 70 CB THR A 5 -1.244 10.763 -1.828 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.184 10.477 -0.927 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.586 10.558 -1.124 1.00 1.00 C ATOM 0 H THR A 5 -2.688 11.063 -3.860 1.00 1.00 H new ATOM 0 HA THR A 5 -0.154 9.939 -3.478 1.00 1.00 H new ATOM 0 HB THR A 5 -1.170 11.798 -2.161 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.147 11.170 -0.235 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.650 11.223 -0.262 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.398 10.782 -1.816 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.668 9.523 -0.791 1.00 1.00 H new ATOM 80 N PHE A 6 -2.579 8.031 -2.273 1.00 1.00 N ATOM 81 CA PHE A 6 -2.844 6.629 -1.862 1.00 1.00 C ATOM 82 C PHE A 6 -2.231 5.694 -2.902 1.00 1.00 C ATOM 83 O PHE A 6 -1.928 4.552 -2.629 1.00 1.00 O ATOM 84 CB PHE A 6 -4.354 6.395 -1.785 1.00 1.00 C ATOM 85 CG PHE A 6 -4.636 5.191 -0.922 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.554 5.299 0.470 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.981 3.969 -1.510 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.818 4.188 1.276 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.246 2.855 -0.705 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.165 2.965 0.688 1.00 1.00 C ATOM 0 H PHE A 6 -3.391 8.648 -2.272 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.405 6.436 -0.883 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.848 7.275 -1.372 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.760 6.241 -2.785 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.286 6.242 0.923 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.043 3.885 -2.585 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.755 4.272 2.351 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.513 1.912 -1.158 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.370 2.106 1.310 1.00 1.00 H new ATOM 100 N GLN A 7 -2.036 6.177 -4.097 1.00 1.00 N ATOM 101 CA GLN A 7 -1.430 5.322 -5.153 1.00 1.00 C ATOM 102 C GLN A 7 0.086 5.490 -5.103 1.00 1.00 C ATOM 103 O GLN A 7 0.831 4.669 -5.602 1.00 1.00 O ATOM 104 CB GLN A 7 -1.953 5.755 -6.528 1.00 1.00 C ATOM 105 CG GLN A 7 -1.539 4.734 -7.592 1.00 1.00 C ATOM 106 CD GLN A 7 -0.083 4.974 -7.999 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.721 4.063 -7.986 1.00 1.00 O ATOM 108 NE2 GLN A 7 0.290 6.170 -8.362 1.00 1.00 N ATOM 0 H GLN A 7 -2.270 7.126 -4.387 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.695 4.278 -4.987 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.039 5.844 -6.501 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.558 6.738 -6.783 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.656 3.722 -7.204 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.189 4.818 -8.463 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.386 6.934 -8.372 1.00 1.00 H new ATOM 0 HE22 GLN A 7 1.258 6.341 -8.635 1.00 1.00 H new ATOM 117 N LYS A 8 0.547 6.560 -4.517 1.00 1.00 N ATOM 118 CA LYS A 8 2.016 6.802 -4.449 1.00 1.00 C ATOM 119 C LYS A 8 2.617 6.183 -3.177 1.00 1.00 C ATOM 120 O LYS A 8 3.618 5.498 -3.231 1.00 1.00 O ATOM 121 CB LYS A 8 2.274 8.311 -4.444 1.00 1.00 C ATOM 122 CG LYS A 8 1.485 8.981 -5.578 1.00 1.00 C ATOM 123 CD LYS A 8 2.278 8.889 -6.884 1.00 1.00 C ATOM 124 CE LYS A 8 1.471 9.528 -8.016 1.00 1.00 C ATOM 125 NZ LYS A 8 2.195 9.347 -9.307 1.00 1.00 N ATOM 0 H LYS A 8 -0.031 7.279 -4.081 1.00 1.00 H new ATOM 0 HA LYS A 8 2.486 6.338 -5.316 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.979 8.736 -3.484 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.339 8.507 -4.566 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.516 8.496 -5.695 1.00 1.00 H new ATOM 0 HG3 LYS A 8 1.292 10.025 -5.332 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.237 9.395 -6.776 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.492 7.847 -7.119 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.483 9.072 -8.074 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.322 10.589 -7.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.646 9.781 -10.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.129 9.801 -9.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.316 8.332 -9.498 1.00 1.00 H new ATOM 139 N LYS A 9 2.045 6.449 -2.031 1.00 1.00 N ATOM 140 CA LYS A 9 2.626 5.905 -0.763 1.00 1.00 C ATOM 141 C LYS A 9 2.044 4.528 -0.402 1.00 1.00 C ATOM 142 O LYS A 9 2.753 3.663 0.069 1.00 1.00 O ATOM 143 CB LYS A 9 2.346 6.885 0.381 1.00 1.00 C ATOM 144 CG LYS A 9 0.900 7.384 0.295 1.00 1.00 C ATOM 145 CD LYS A 9 0.470 7.938 1.657 1.00 1.00 C ATOM 146 CE LYS A 9 -0.898 8.616 1.532 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.557 8.653 2.867 1.00 1.00 N ATOM 0 H LYS A 9 1.205 7.016 -1.916 1.00 1.00 H new ATOM 0 HA LYS A 9 3.698 5.783 -0.915 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.515 6.396 1.340 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.035 7.728 0.327 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.816 8.158 -0.468 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.240 6.570 -0.003 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.421 7.132 2.389 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.209 8.653 2.019 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.780 9.628 1.144 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.521 8.073 0.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.587 8.720 2.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.327 7.785 3.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.217 9.480 3.399 1.00 1.00 H new ATOM 161 N HIS A 10 0.766 4.317 -0.572 1.00 1.00 N ATOM 162 CA HIS A 10 0.183 2.994 -0.183 1.00 1.00 C ATOM 163 C HIS A 10 0.333 1.966 -1.310 1.00 1.00 C ATOM 164 O HIS A 10 0.019 0.807 -1.129 1.00 1.00 O ATOM 165 CB HIS A 10 -1.301 3.162 0.158 1.00 1.00 C ATOM 166 CG HIS A 10 -1.439 3.744 1.539 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.216 2.991 2.685 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.777 5.001 1.976 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.421 3.796 3.745 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.764 5.028 3.366 1.00 1.00 N ATOM 0 H HIS A 10 0.106 4.992 -0.958 1.00 1.00 H new ATOM 0 HA HIS A 10 0.726 2.630 0.689 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.781 3.814 -0.572 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.808 2.198 0.106 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -2.016 5.839 1.338 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.320 3.483 4.774 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.973 5.823 3.969 1.00 1.00 H new ATOM 179 N LEU A 11 0.800 2.357 -2.466 1.00 1.00 N ATOM 180 CA LEU A 11 0.944 1.358 -3.570 1.00 1.00 C ATOM 181 C LEU A 11 2.209 1.615 -4.376 1.00 1.00 C ATOM 182 O LEU A 11 2.710 2.720 -4.446 1.00 1.00 O ATOM 183 CB LEU A 11 -0.273 1.437 -4.497 1.00 1.00 C ATOM 184 CG LEU A 11 -1.467 0.722 -3.844 1.00 1.00 C ATOM 185 CD1 LEU A 11 -2.434 1.746 -3.243 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.205 -0.113 -4.894 1.00 1.00 C ATOM 0 H LEU A 11 1.085 3.310 -2.694 1.00 1.00 H new ATOM 0 HA LEU A 11 1.011 0.365 -3.126 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.524 2.479 -4.695 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.042 0.977 -5.457 1.00 1.00 H new ATOM 0 HG LEU A 11 -1.095 0.073 -3.051 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -3.275 1.226 -2.784 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.916 2.336 -2.487 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.801 2.405 -4.030 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.051 -0.619 -4.428 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.565 0.539 -5.690 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.525 -0.855 -5.313 1.00 1.00 H new ATOM 198 N THR A 12 2.720 0.585 -4.993 1.00 1.00 N ATOM 199 CA THR A 12 3.955 0.737 -5.819 1.00 1.00 C ATOM 200 C THR A 12 3.811 -0.077 -7.105 1.00 1.00 C ATOM 201 O THR A 12 2.724 -0.472 -7.477 1.00 1.00 O ATOM 202 CB THR A 12 5.173 0.240 -5.035 1.00 1.00 C ATOM 203 OG1 THR A 12 6.299 0.218 -5.901 1.00 1.00 O ATOM 204 CG2 THR A 12 4.916 -1.174 -4.494 1.00 1.00 C ATOM 0 H THR A 12 2.335 -0.359 -4.961 1.00 1.00 H new ATOM 0 HA THR A 12 4.093 1.790 -6.065 1.00 1.00 H new ATOM 0 HB THR A 12 5.359 0.909 -4.194 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.995 0.811 -5.548 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.790 -1.515 -3.939 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.049 -1.159 -3.833 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.727 -1.853 -5.325 1.00 1.00 H new ATOM 212 N ASP A 13 4.896 -0.321 -7.793 1.00 1.00 N ATOM 213 CA ASP A 13 4.821 -1.098 -9.067 1.00 1.00 C ATOM 214 C ASP A 13 5.672 -2.369 -8.978 1.00 1.00 C ATOM 215 O ASP A 13 5.861 -3.056 -9.963 1.00 1.00 O ATOM 216 CB ASP A 13 5.336 -0.229 -10.216 1.00 1.00 C ATOM 217 CG ASP A 13 4.456 1.015 -10.351 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.336 0.979 -9.869 1.00 1.00 O ATOM 219 OD2 ASP A 13 4.917 1.981 -10.936 1.00 1.00 O ATOM 0 H ASP A 13 5.832 -0.015 -7.528 1.00 1.00 H new ATOM 0 HA ASP A 13 3.784 -1.383 -9.243 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.370 0.063 -10.030 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.327 -0.796 -11.147 1.00 1.00 H new ATOM 224 N THR A 14 6.199 -2.697 -7.823 1.00 1.00 N ATOM 225 CA THR A 14 7.037 -3.931 -7.729 1.00 1.00 C ATOM 226 C THR A 14 6.863 -4.587 -6.358 1.00 1.00 C ATOM 227 O THR A 14 6.596 -3.932 -5.370 1.00 1.00 O ATOM 228 CB THR A 14 8.507 -3.559 -7.931 1.00 1.00 C ATOM 229 OG1 THR A 14 9.293 -4.742 -7.961 1.00 1.00 O ATOM 230 CG2 THR A 14 8.970 -2.665 -6.781 1.00 1.00 C ATOM 0 H THR A 14 6.087 -2.173 -6.955 1.00 1.00 H new ATOM 0 HA THR A 14 6.722 -4.634 -8.500 1.00 1.00 H new ATOM 0 HB THR A 14 8.621 -3.023 -8.873 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.235 -4.506 -8.092 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.017 -2.400 -6.925 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.366 -1.758 -6.759 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.857 -3.199 -5.837 1.00 1.00 H new ATOM 238 N LYS A 15 7.022 -5.882 -6.293 1.00 1.00 N ATOM 239 CA LYS A 15 6.877 -6.593 -4.991 1.00 1.00 C ATOM 240 C LYS A 15 8.111 -6.320 -4.129 1.00 1.00 C ATOM 241 O LYS A 15 8.096 -6.506 -2.929 1.00 1.00 O ATOM 242 CB LYS A 15 6.746 -8.098 -5.238 1.00 1.00 C ATOM 243 CG LYS A 15 7.934 -8.590 -6.070 1.00 1.00 C ATOM 244 CD LYS A 15 7.660 -10.013 -6.564 1.00 1.00 C ATOM 245 CE LYS A 15 7.316 -10.914 -5.375 1.00 1.00 C ATOM 246 NZ LYS A 15 7.528 -12.339 -5.756 1.00 1.00 N ATOM 0 H LYS A 15 7.247 -6.479 -7.089 1.00 1.00 H new ATOM 0 HA LYS A 15 5.985 -6.236 -4.477 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.710 -8.630 -4.288 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.812 -8.311 -5.758 1.00 1.00 H new ATOM 0 HG2 LYS A 15 8.098 -7.925 -6.918 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.844 -8.571 -5.470 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.837 -10.008 -7.279 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.534 -10.402 -7.086 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.940 -10.658 -4.519 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.280 -10.757 -5.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.295 -12.952 -4.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.915 -12.578 -6.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.523 -12.482 -6.024 1.00 1.00 H new ATOM 260 N LYS A 16 9.180 -5.879 -4.737 1.00 1.00 N ATOM 261 CA LYS A 16 10.425 -5.582 -3.970 1.00 1.00 C ATOM 262 C LYS A 16 10.761 -4.099 -4.128 1.00 1.00 C ATOM 263 O LYS A 16 11.768 -3.738 -4.704 1.00 1.00 O ATOM 264 CB LYS A 16 11.576 -6.427 -4.524 1.00 1.00 C ATOM 265 CG LYS A 16 11.456 -7.869 -4.010 1.00 1.00 C ATOM 266 CD LYS A 16 12.027 -8.836 -5.051 1.00 1.00 C ATOM 267 CE LYS A 16 12.311 -10.188 -4.394 1.00 1.00 C ATOM 268 NZ LYS A 16 13.501 -10.069 -3.505 1.00 1.00 N ATOM 0 H LYS A 16 9.244 -5.710 -5.741 1.00 1.00 H new ATOM 0 HA LYS A 16 10.278 -5.818 -2.916 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.555 -6.417 -5.614 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.532 -6.001 -4.219 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.993 -7.975 -3.067 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.412 -8.109 -3.811 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.321 -8.960 -5.872 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.943 -8.428 -5.477 1.00 1.00 H new ATOM 0 HE2 LYS A 16 11.445 -10.513 -3.818 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.489 -10.945 -5.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 13.939 -11.005 -3.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 14.190 -9.417 -3.932 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.206 -9.702 -2.578 1.00 1.00 H new ATOM 282 N VAL A 17 9.919 -3.235 -3.631 1.00 1.00 N ATOM 283 CA VAL A 17 10.186 -1.775 -3.764 1.00 1.00 C ATOM 284 C VAL A 17 11.583 -1.455 -3.271 1.00 1.00 C ATOM 285 O VAL A 17 12.219 -2.238 -2.595 1.00 1.00 O ATOM 286 CB VAL A 17 9.195 -0.976 -2.921 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.784 -1.207 -3.439 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.291 -1.420 -1.458 1.00 1.00 C ATOM 0 H VAL A 17 9.059 -3.477 -3.139 1.00 1.00 H new ATOM 0 HA VAL A 17 10.084 -1.508 -4.816 1.00 1.00 H new ATOM 0 HB VAL A 17 9.433 0.086 -2.989 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.077 -0.636 -2.837 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.720 -0.883 -4.478 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.542 -2.268 -3.374 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.583 -0.849 -0.857 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.056 -2.482 -1.384 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.302 -1.246 -1.090 1.00 1.00 H new ATOM 298 N LYS A 18 12.049 -0.283 -3.585 1.00 1.00 N ATOM 299 CA LYS A 18 13.393 0.137 -3.117 1.00 1.00 C ATOM 300 C LYS A 18 13.198 1.033 -1.896 1.00 1.00 C ATOM 301 O LYS A 18 13.520 2.202 -1.906 1.00 1.00 O ATOM 302 CB LYS A 18 14.131 0.898 -4.230 1.00 1.00 C ATOM 303 CG LYS A 18 13.123 1.527 -5.199 1.00 1.00 C ATOM 304 CD LYS A 18 12.263 2.552 -4.458 1.00 1.00 C ATOM 305 CE LYS A 18 11.494 3.404 -5.472 1.00 1.00 C ATOM 306 NZ LYS A 18 10.848 4.549 -4.770 1.00 1.00 N ATOM 0 H LYS A 18 11.553 0.406 -4.150 1.00 1.00 H new ATOM 0 HA LYS A 18 13.996 -0.733 -2.856 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.761 1.674 -3.794 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.790 0.218 -4.770 1.00 1.00 H new ATOM 0 HG2 LYS A 18 13.649 2.008 -6.024 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.490 0.753 -5.633 1.00 1.00 H new ATOM 0 HD2 LYS A 18 11.566 2.044 -3.792 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.892 3.188 -3.836 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.172 3.772 -6.243 1.00 1.00 H new ATOM 0 HE3 LYS A 18 10.739 2.799 -5.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 9.834 4.569 -4.999 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 10.969 4.439 -3.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.290 5.439 -5.078 1.00 1.00 H new ATOM 320 N CYS A 19 12.643 0.479 -0.851 1.00 1.00 N ATOM 321 CA CYS A 19 12.379 1.260 0.391 1.00 1.00 C ATOM 322 C CYS A 19 13.431 2.362 0.578 1.00 1.00 C ATOM 323 O CYS A 19 13.138 3.438 1.068 1.00 1.00 O ATOM 324 CB CYS A 19 12.431 0.315 1.591 1.00 1.00 C ATOM 325 SG CYS A 19 11.001 -0.791 1.550 1.00 1.00 S ATOM 0 H CYS A 19 12.357 -0.499 -0.806 1.00 1.00 H new ATOM 0 HA CYS A 19 11.396 1.725 0.310 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.354 -0.265 1.571 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.435 0.888 2.518 1.00 1.00 H new ATOM 330 N ASP A 20 14.650 2.097 0.195 1.00 1.00 N ATOM 331 CA ASP A 20 15.729 3.113 0.356 1.00 1.00 C ATOM 332 C ASP A 20 15.228 4.471 -0.126 1.00 1.00 C ATOM 333 O ASP A 20 15.464 5.486 0.496 1.00 1.00 O ATOM 334 CB ASP A 20 16.949 2.696 -0.465 1.00 1.00 C ATOM 335 CG ASP A 20 18.019 3.787 -0.379 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.640 3.900 0.665 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.200 4.490 -1.359 1.00 1.00 O ATOM 0 H ASP A 20 14.947 1.216 -0.225 1.00 1.00 H new ATOM 0 HA ASP A 20 16.007 3.183 1.408 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.346 1.752 -0.092 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.663 2.533 -1.504 1.00 1.00 H new ATOM 342 N VAL A 21 14.527 4.497 -1.224 1.00 1.00 N ATOM 343 CA VAL A 21 14.000 5.787 -1.745 1.00 1.00 C ATOM 344 C VAL A 21 12.501 5.858 -1.467 1.00 1.00 C ATOM 345 O VAL A 21 11.962 6.913 -1.217 1.00 1.00 O ATOM 346 CB VAL A 21 14.254 5.865 -3.250 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.250 7.326 -3.706 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.614 5.237 -3.567 1.00 1.00 C ATOM 0 H VAL A 21 14.296 3.677 -1.785 1.00 1.00 H new ATOM 0 HA VAL A 21 14.501 6.622 -1.254 1.00 1.00 H new ATOM 0 HB VAL A 21 13.466 5.325 -3.775 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.432 7.373 -4.780 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.282 7.774 -3.482 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.033 7.873 -3.181 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.798 5.291 -4.640 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.397 5.778 -3.036 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.616 4.194 -3.251 1.00 1.00 H new ATOM 358 N GLU A 22 11.824 4.739 -1.481 1.00 1.00 N ATOM 359 CA GLU A 22 10.362 4.754 -1.193 1.00 1.00 C ATOM 360 C GLU A 22 10.149 5.365 0.194 1.00 1.00 C ATOM 361 O GLU A 22 9.035 5.538 0.647 1.00 1.00 O ATOM 362 CB GLU A 22 9.811 3.319 -1.222 1.00 1.00 C ATOM 363 CG GLU A 22 8.496 3.282 -2.009 1.00 1.00 C ATOM 364 CD GLU A 22 8.790 3.418 -3.504 1.00 1.00 C ATOM 365 OE1 GLU A 22 9.262 2.455 -4.085 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.537 4.483 -4.042 1.00 1.00 O ATOM 0 H GLU A 22 12.220 3.820 -1.679 1.00 1.00 H new ATOM 0 HA GLU A 22 9.838 5.344 -1.945 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.539 2.650 -1.681 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.647 2.962 -0.205 1.00 1.00 H new ATOM 0 HG2 GLU A 22 7.970 2.347 -1.815 1.00 1.00 H new ATOM 0 HG3 GLU A 22 7.841 4.090 -1.682 1.00 1.00 H new ATOM 373 N MET A 23 11.221 5.682 0.870 1.00 1.00 N ATOM 374 CA MET A 23 11.113 6.275 2.234 1.00 1.00 C ATOM 375 C MET A 23 12.109 7.429 2.382 1.00 1.00 C ATOM 376 O MET A 23 11.774 8.486 2.880 1.00 1.00 O ATOM 377 CB MET A 23 11.430 5.194 3.275 1.00 1.00 C ATOM 378 CG MET A 23 10.208 4.287 3.482 1.00 1.00 C ATOM 379 SD MET A 23 9.449 4.655 5.086 1.00 1.00 S ATOM 380 CE MET A 23 10.468 3.542 6.085 1.00 1.00 C ATOM 0 H MET A 23 12.175 5.554 0.532 1.00 1.00 H new ATOM 0 HA MET A 23 10.102 6.654 2.386 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.282 4.600 2.946 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.712 5.659 4.220 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.485 4.444 2.681 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.508 3.240 3.441 1.00 1.00 H new ATOM 0 HE1 MET A 23 9.827 2.832 6.607 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.157 3.000 5.437 1.00 1.00 H new ATOM 0 HE3 MET A 23 11.035 4.123 6.813 1.00 1.00 H new ATOM 390 N ALA A 24 13.332 7.239 1.964 1.00 1.00 N ATOM 391 CA ALA A 24 14.336 8.334 2.098 1.00 1.00 C ATOM 392 C ALA A 24 14.075 9.403 1.037 1.00 1.00 C ATOM 393 O ALA A 24 14.793 10.378 0.937 1.00 1.00 O ATOM 394 CB ALA A 24 15.747 7.770 1.925 1.00 1.00 C ATOM 0 H ALA A 24 13.678 6.379 1.538 1.00 1.00 H new ATOM 0 HA ALA A 24 14.249 8.780 3.089 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.475 8.575 2.024 1.00 1.00 H new ATOM 0 HB2 ALA A 24 15.934 7.016 2.689 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.839 7.317 0.938 1.00 1.00 H new ATOM 400 N LYS A 25 13.054 9.229 0.245 1.00 1.00 N ATOM 401 CA LYS A 25 12.748 10.238 -0.807 1.00 1.00 C ATOM 402 C LYS A 25 12.474 11.595 -0.143 1.00 1.00 C ATOM 403 O LYS A 25 13.201 12.020 0.732 1.00 1.00 O ATOM 404 CB LYS A 25 11.521 9.793 -1.608 1.00 1.00 C ATOM 405 CG LYS A 25 10.390 9.396 -0.654 1.00 1.00 C ATOM 406 CD LYS A 25 9.419 8.457 -1.371 1.00 1.00 C ATOM 407 CE LYS A 25 9.003 9.067 -2.713 1.00 1.00 C ATOM 408 NZ LYS A 25 7.718 8.458 -3.157 1.00 1.00 N ATOM 0 H LYS A 25 12.418 8.432 0.281 1.00 1.00 H new ATOM 0 HA LYS A 25 13.598 10.330 -1.483 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.190 10.600 -2.262 1.00 1.00 H new ATOM 0 HB3 LYS A 25 11.780 8.950 -2.249 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.801 8.906 0.229 1.00 1.00 H new ATOM 0 HG3 LYS A 25 9.863 10.285 -0.309 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.889 7.487 -1.532 1.00 1.00 H new ATOM 0 HD3 LYS A 25 8.539 8.286 -0.751 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.892 10.147 -2.615 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.778 8.893 -3.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.099 9.198 -3.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 7.907 7.745 -3.891 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 7.250 8.005 -2.346 1.00 1.00 H new ATOM 422 N ALA A 26 11.439 12.284 -0.555 1.00 1.00 N ATOM 423 CA ALA A 26 11.135 13.618 0.052 1.00 1.00 C ATOM 424 C ALA A 26 9.742 13.615 0.694 1.00 1.00 C ATOM 425 O ALA A 26 9.437 14.449 1.523 1.00 1.00 O ATOM 426 CB ALA A 26 11.183 14.687 -1.040 1.00 1.00 C ATOM 0 H ALA A 26 10.792 11.982 -1.284 1.00 1.00 H new ATOM 0 HA ALA A 26 11.876 13.831 0.823 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.962 15.662 -0.605 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.177 14.706 -1.487 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.444 14.457 -1.807 1.00 1.00 H new ATOM 432 N LEU A 27 8.885 12.707 0.308 1.00 1.00 N ATOM 433 CA LEU A 27 7.511 12.693 0.896 1.00 1.00 C ATOM 434 C LEU A 27 7.493 11.883 2.198 1.00 1.00 C ATOM 435 O LEU A 27 6.490 11.829 2.883 1.00 1.00 O ATOM 436 CB LEU A 27 6.523 12.098 -0.125 1.00 1.00 C ATOM 437 CG LEU A 27 6.474 10.561 -0.009 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.500 10.132 1.105 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.007 9.967 -1.345 1.00 1.00 C ATOM 0 H LEU A 27 9.073 11.980 -0.382 1.00 1.00 H new ATOM 0 HA LEU A 27 7.211 13.714 1.130 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.528 12.512 0.041 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.821 12.382 -1.134 1.00 1.00 H new ATOM 0 HG LEU A 27 7.471 10.196 0.236 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.479 9.044 1.171 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.830 10.547 2.057 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.500 10.501 0.876 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.971 8.880 -1.267 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.014 10.347 -1.585 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.704 10.251 -2.133 1.00 1.00 H new ATOM 451 N PHE A 28 8.588 11.261 2.554 1.00 1.00 N ATOM 452 CA PHE A 28 8.622 10.464 3.822 1.00 1.00 C ATOM 453 C PHE A 28 9.717 11.010 4.746 1.00 1.00 C ATOM 454 O PHE A 28 9.549 11.073 5.944 1.00 1.00 O ATOM 455 CB PHE A 28 8.912 8.988 3.499 1.00 1.00 C ATOM 456 CG PHE A 28 7.615 8.222 3.330 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.674 8.186 4.370 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.353 7.545 2.132 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.478 7.478 4.209 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.157 6.837 1.973 1.00 1.00 C ATOM 461 CZ PHE A 28 5.219 6.803 3.010 1.00 1.00 C ATOM 0 H PHE A 28 9.459 11.269 2.024 1.00 1.00 H new ATOM 0 HA PHE A 28 7.656 10.542 4.320 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.505 8.918 2.587 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.504 8.543 4.299 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.873 8.705 5.296 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.076 7.570 1.330 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.754 7.452 5.010 1.00 1.00 H new ATOM 0 HE2 PHE A 28 5.958 6.316 1.048 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.296 6.257 2.886 1.00 1.00 H new ATOM 471 N ASP A 29 10.834 11.402 4.197 1.00 1.00 N ATOM 472 CA ASP A 29 11.942 11.944 5.042 1.00 1.00 C ATOM 473 C ASP A 29 12.653 10.796 5.769 1.00 1.00 C ATOM 474 O ASP A 29 13.140 10.954 6.870 1.00 1.00 O ATOM 475 CB ASP A 29 11.384 12.939 6.070 1.00 1.00 C ATOM 476 CG ASP A 29 10.211 13.707 5.457 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.407 14.321 4.422 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.137 13.669 6.036 1.00 1.00 O ATOM 0 H ASP A 29 11.030 11.371 3.196 1.00 1.00 H new ATOM 0 HA ASP A 29 12.655 12.459 4.399 1.00 1.00 H new ATOM 0 HB2 ASP A 29 11.057 12.408 6.964 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.165 13.634 6.379 1.00 1.00 H new ATOM 483 N CYS A 30 12.727 9.647 5.152 1.00 1.00 N ATOM 484 CA CYS A 30 13.421 8.487 5.789 1.00 1.00 C ATOM 485 C CYS A 30 12.786 8.149 7.144 1.00 1.00 C ATOM 486 O CYS A 30 13.362 8.397 8.184 1.00 1.00 O ATOM 487 CB CYS A 30 14.899 8.834 6.000 1.00 1.00 C ATOM 488 SG CYS A 30 15.798 7.354 6.526 1.00 1.00 S ATOM 0 H CYS A 30 12.335 9.460 4.229 1.00 1.00 H new ATOM 0 HA CYS A 30 13.326 7.623 5.132 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.327 9.224 5.077 1.00 1.00 H new ATOM 0 HB3 CYS A 30 14.996 9.617 6.752 1.00 1.00 H new ATOM 493 N LYS A 31 11.613 7.571 7.144 1.00 1.00 N ATOM 494 CA LYS A 31 10.966 7.208 8.440 1.00 1.00 C ATOM 495 C LYS A 31 11.655 5.967 9.017 1.00 1.00 C ATOM 496 O LYS A 31 12.854 5.945 9.214 1.00 1.00 O ATOM 497 CB LYS A 31 9.482 6.898 8.215 1.00 1.00 C ATOM 498 CG LYS A 31 8.825 7.998 7.377 1.00 1.00 C ATOM 499 CD LYS A 31 8.814 9.330 8.137 1.00 1.00 C ATOM 500 CE LYS A 31 8.108 9.169 9.490 1.00 1.00 C ATOM 501 NZ LYS A 31 9.102 8.778 10.529 1.00 1.00 N ATOM 0 H LYS A 31 11.078 7.336 6.308 1.00 1.00 H new ATOM 0 HA LYS A 31 11.059 8.044 9.133 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.378 5.937 7.711 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.973 6.811 9.175 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.364 8.115 6.437 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.804 7.709 7.126 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.836 9.676 8.292 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.307 10.090 7.543 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.621 10.103 9.771 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.327 8.412 9.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.800 9.145 11.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.169 7.741 10.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 10.032 9.175 10.286 1.00 1.00 H new ATOM 515 N LYS A 32 10.903 4.933 9.289 1.00 1.00 N ATOM 516 CA LYS A 32 11.508 3.690 9.853 1.00 1.00 C ATOM 517 C LYS A 32 10.686 2.474 9.413 1.00 1.00 C ATOM 518 O LYS A 32 11.214 1.397 9.216 1.00 1.00 O ATOM 519 CB LYS A 32 11.516 3.772 11.380 1.00 1.00 C ATOM 520 CG LYS A 32 10.078 3.835 11.899 1.00 1.00 C ATOM 521 CD LYS A 32 10.086 4.162 13.394 1.00 1.00 C ATOM 522 CE LYS A 32 10.795 3.043 14.161 1.00 1.00 C ATOM 523 NZ LYS A 32 10.384 3.086 15.594 1.00 1.00 N ATOM 0 H LYS A 32 9.894 4.896 9.145 1.00 1.00 H new ATOM 0 HA LYS A 32 12.530 3.589 9.489 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.026 2.904 11.798 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.069 4.654 11.704 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.517 4.594 11.353 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.577 2.882 11.727 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.592 5.112 13.566 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.065 4.275 13.757 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.543 2.075 13.728 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.876 3.158 14.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.865 2.326 16.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.645 4.006 16.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.355 2.956 15.664 1.00 1.00 H new ATOM 537 N THR A 33 9.398 2.638 9.255 1.00 1.00 N ATOM 538 CA THR A 33 8.538 1.495 8.824 1.00 1.00 C ATOM 539 C THR A 33 7.549 1.985 7.764 1.00 1.00 C ATOM 540 O THR A 33 7.085 3.107 7.809 1.00 1.00 O ATOM 541 CB THR A 33 7.767 0.953 10.031 1.00 1.00 C ATOM 542 OG1 THR A 33 7.001 -0.175 9.633 1.00 1.00 O ATOM 543 CG2 THR A 33 6.835 2.039 10.572 1.00 1.00 C ATOM 0 H THR A 33 8.903 3.517 9.406 1.00 1.00 H new ATOM 0 HA THR A 33 9.160 0.703 8.408 1.00 1.00 H new ATOM 0 HB THR A 33 8.470 0.659 10.810 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.508 -0.524 10.405 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.286 1.653 11.431 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.423 2.905 10.876 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.130 2.334 9.794 1.00 1.00 H new ATOM 551 N ASN A 34 7.224 1.157 6.808 1.00 1.00 N ATOM 552 CA ASN A 34 6.269 1.590 5.748 1.00 1.00 C ATOM 553 C ASN A 34 5.688 0.363 5.040 1.00 1.00 C ATOM 554 O ASN A 34 6.305 -0.682 4.981 1.00 1.00 O ATOM 555 CB ASN A 34 7.004 2.469 4.727 1.00 1.00 C ATOM 556 CG ASN A 34 6.638 3.942 4.941 1.00 1.00 C ATOM 557 OD1 ASN A 34 6.182 4.322 6.002 1.00 1.00 O ATOM 558 ND2 ASN A 34 6.825 4.794 3.972 1.00 1.00 N ATOM 0 H ASN A 34 7.576 0.204 6.715 1.00 1.00 H new ATOM 0 HA ASN A 34 5.459 2.158 6.204 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.081 2.335 4.829 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.739 2.164 3.715 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.589 5.777 4.105 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.207 4.477 3.081 1.00 1.00 H new ATOM 565 N THR A 35 4.505 0.491 4.501 1.00 1.00 N ATOM 566 CA THR A 35 3.873 -0.658 3.792 1.00 1.00 C ATOM 567 C THR A 35 3.225 -0.168 2.494 1.00 1.00 C ATOM 568 O THR A 35 2.835 0.976 2.374 1.00 1.00 O ATOM 569 CB THR A 35 2.803 -1.283 4.690 1.00 1.00 C ATOM 570 OG1 THR A 35 3.331 -1.467 5.996 1.00 1.00 O ATOM 571 CG2 THR A 35 2.378 -2.635 4.114 1.00 1.00 C ATOM 0 H THR A 35 3.948 1.345 4.522 1.00 1.00 H new ATOM 0 HA THR A 35 4.634 -1.402 3.558 1.00 1.00 H new ATOM 0 HB THR A 35 1.937 -0.623 4.738 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.646 -1.866 6.572 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.616 -3.080 4.754 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.973 -2.492 3.112 1.00 1.00 H new ATOM 0 HG23 THR A 35 3.242 -3.297 4.065 1.00 1.00 H new ATOM 579 N PHE A 36 3.095 -1.037 1.530 1.00 1.00 N ATOM 580 CA PHE A 36 2.456 -0.643 0.235 1.00 1.00 C ATOM 581 C PHE A 36 1.758 -1.873 -0.341 1.00 1.00 C ATOM 582 O PHE A 36 1.818 -2.937 0.230 1.00 1.00 O ATOM 583 CB PHE A 36 3.507 -0.146 -0.776 1.00 1.00 C ATOM 584 CG PHE A 36 4.713 0.429 -0.068 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.518 -0.390 0.730 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.035 1.783 -0.228 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.643 0.142 1.368 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.159 2.316 0.413 1.00 1.00 C ATOM 589 CZ PHE A 36 6.963 1.495 1.210 1.00 1.00 C ATOM 0 H PHE A 36 3.404 -2.008 1.580 1.00 1.00 H new ATOM 0 HA PHE A 36 1.749 0.166 0.417 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.817 -0.970 -1.418 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.065 0.612 -1.422 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.271 -1.434 0.854 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.416 2.416 -0.846 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.265 -0.492 1.983 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.405 3.361 0.292 1.00 1.00 H new ATOM 0 HZ PHE A 36 7.831 1.905 1.704 1.00 1.00 H new ATOM 599 N ILE A 37 1.101 -1.739 -1.465 1.00 1.00 N ATOM 600 CA ILE A 37 0.404 -2.912 -2.073 1.00 1.00 C ATOM 601 C ILE A 37 0.915 -3.131 -3.497 1.00 1.00 C ATOM 602 O ILE A 37 1.017 -2.204 -4.283 1.00 1.00 O ATOM 603 CB ILE A 37 -1.110 -2.659 -2.114 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.592 -2.130 -0.750 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.840 -3.965 -2.444 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.826 -1.244 -0.942 1.00 1.00 C ATOM 0 H ILE A 37 1.017 -0.867 -1.988 1.00 1.00 H new ATOM 0 HA ILE A 37 0.607 -3.796 -1.469 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.327 -1.916 -2.882 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.831 -2.964 -0.090 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.796 -1.561 -0.269 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.914 -3.784 -2.473 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.508 -4.332 -3.415 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.618 -4.709 -1.679 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -3.162 -0.873 0.026 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.572 -0.401 -1.585 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.623 -1.826 -1.404 1.00 1.00 H new ATOM 618 N TYR A 38 1.235 -4.354 -3.836 1.00 1.00 N ATOM 619 CA TYR A 38 1.730 -4.634 -5.216 1.00 1.00 C ATOM 620 C TYR A 38 0.535 -4.964 -6.114 1.00 1.00 C ATOM 621 O TYR A 38 0.099 -6.097 -6.188 1.00 1.00 O ATOM 622 CB TYR A 38 2.692 -5.824 -5.193 1.00 1.00 C ATOM 623 CG TYR A 38 3.057 -6.207 -6.610 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.733 -5.294 -7.428 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.718 -7.472 -7.104 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.070 -5.647 -8.741 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.055 -7.825 -8.417 1.00 1.00 C ATOM 628 CZ TYR A 38 3.731 -6.912 -9.235 1.00 1.00 C ATOM 629 OH TYR A 38 4.063 -7.259 -10.528 1.00 1.00 O ATOM 0 H TYR A 38 1.175 -5.165 -3.221 1.00 1.00 H new ATOM 0 HA TYR A 38 2.255 -3.759 -5.599 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.591 -5.568 -4.632 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.229 -6.670 -4.685 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.995 -4.318 -7.047 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.196 -8.176 -6.473 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.592 -4.943 -9.372 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.793 -8.801 -8.798 1.00 1.00 H new ATOM 0 HH TYR A 38 3.756 -8.172 -10.711 1.00 1.00 H new ATOM 639 N ALA A 39 0.001 -3.989 -6.799 1.00 1.00 N ATOM 640 CA ALA A 39 -1.166 -4.254 -7.689 1.00 1.00 C ATOM 641 C ALA A 39 -1.152 -3.266 -8.858 1.00 1.00 C ATOM 642 O ALA A 39 -0.664 -2.160 -8.743 1.00 1.00 O ATOM 643 CB ALA A 39 -2.462 -4.085 -6.895 1.00 1.00 C ATOM 0 H ALA A 39 0.322 -3.021 -6.781 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.105 -5.272 -8.073 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.315 -4.279 -7.545 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.473 -4.789 -6.063 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.523 -3.067 -6.510 1.00 1.00 H new ATOM 649 N LEU A 40 -1.686 -3.657 -9.985 1.00 1.00 N ATOM 650 CA LEU A 40 -1.702 -2.737 -11.158 1.00 1.00 C ATOM 651 C LEU A 40 -2.918 -1.799 -11.043 1.00 1.00 C ATOM 652 O LEU A 40 -3.950 -2.174 -10.523 1.00 1.00 O ATOM 653 CB LEU A 40 -1.732 -3.577 -12.452 1.00 1.00 C ATOM 654 CG LEU A 40 -3.166 -3.778 -12.964 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.520 -2.651 -13.935 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.260 -5.119 -13.701 1.00 1.00 C ATOM 0 H LEU A 40 -2.110 -4.571 -10.143 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.806 -2.117 -11.184 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.137 -3.084 -13.220 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.272 -4.548 -12.267 1.00 1.00 H new ATOM 0 HG LEU A 40 -3.857 -3.771 -12.121 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.537 -2.791 -14.300 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.448 -1.692 -13.422 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.828 -2.665 -14.777 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.277 -5.264 -14.065 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.569 -5.120 -14.544 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.001 -5.928 -13.018 1.00 1.00 H new ATOM 668 N PRO A 41 -2.785 -0.578 -11.501 1.00 1.00 N ATOM 669 CA PRO A 41 -3.872 0.438 -11.425 1.00 1.00 C ATOM 670 C PRO A 41 -5.268 -0.157 -11.636 1.00 1.00 C ATOM 671 O PRO A 41 -6.152 0.003 -10.820 1.00 1.00 O ATOM 672 CB PRO A 41 -3.536 1.402 -12.565 1.00 1.00 C ATOM 673 CG PRO A 41 -2.058 1.279 -12.797 1.00 1.00 C ATOM 674 CD PRO A 41 -1.584 -0.029 -12.145 1.00 1.00 C ATOM 0 HA PRO A 41 -3.912 0.903 -10.440 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.094 1.148 -13.466 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.805 2.425 -12.301 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.839 1.274 -13.865 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.532 2.132 -12.367 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.182 -0.719 -12.887 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -0.793 0.154 -11.418 1.00 1.00 H new ATOM 682 N GLY A 42 -5.474 -0.833 -12.730 1.00 1.00 N ATOM 683 CA GLY A 42 -6.817 -1.425 -12.998 1.00 1.00 C ATOM 684 C GLY A 42 -7.257 -2.284 -11.810 1.00 1.00 C ATOM 685 O GLY A 42 -8.352 -2.150 -11.311 1.00 1.00 O ATOM 0 H GLY A 42 -4.773 -1.002 -13.451 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.544 -0.632 -13.173 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.782 -2.032 -13.903 1.00 1.00 H new ATOM 689 N ARG A 43 -6.411 -3.167 -11.359 1.00 1.00 N ATOM 690 CA ARG A 43 -6.772 -4.042 -10.210 1.00 1.00 C ATOM 691 C ARG A 43 -6.967 -3.196 -8.948 1.00 1.00 C ATOM 692 O ARG A 43 -7.685 -3.575 -8.043 1.00 1.00 O ATOM 693 CB ARG A 43 -5.643 -5.050 -9.976 1.00 1.00 C ATOM 694 CG ARG A 43 -6.126 -6.159 -9.034 1.00 1.00 C ATOM 695 CD ARG A 43 -6.785 -7.281 -9.844 1.00 1.00 C ATOM 696 NE ARG A 43 -7.637 -8.108 -8.943 1.00 1.00 N ATOM 697 CZ ARG A 43 -8.530 -8.916 -9.448 1.00 1.00 C ATOM 698 NH1 ARG A 43 -8.676 -9.000 -10.742 1.00 1.00 N ATOM 699 NH2 ARG A 43 -9.276 -9.639 -8.659 1.00 1.00 N ATOM 0 H ARG A 43 -5.478 -3.321 -11.740 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.701 -4.567 -10.433 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.324 -5.480 -10.925 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -4.777 -4.547 -9.547 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -5.286 -6.555 -8.464 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -6.836 -5.753 -8.314 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -7.389 -6.858 -10.647 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -6.022 -7.903 -10.313 1.00 1.00 H new ATOM 0 HE ARG A 43 -7.522 -8.043 -7.932 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -8.093 -8.435 -11.359 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -9.373 -9.631 -11.137 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -9.162 -9.573 -7.648 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -9.973 -10.270 -9.054 1.00 1.00 H new ATOM 713 N VAL A 44 -6.333 -2.057 -8.872 1.00 1.00 N ATOM 714 CA VAL A 44 -6.485 -1.205 -7.658 1.00 1.00 C ATOM 715 C VAL A 44 -7.820 -0.462 -7.717 1.00 1.00 C ATOM 716 O VAL A 44 -8.652 -0.592 -6.841 1.00 1.00 O ATOM 717 CB VAL A 44 -5.338 -0.194 -7.599 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.487 0.675 -6.347 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.003 -0.943 -7.548 1.00 1.00 C ATOM 0 H VAL A 44 -5.719 -1.681 -9.595 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.461 -1.834 -6.768 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.365 0.441 -8.485 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -4.670 1.395 -6.305 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.438 1.207 -6.384 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.459 0.043 -5.460 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.184 -0.225 -7.506 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -3.975 -1.577 -6.662 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -3.898 -1.561 -8.440 1.00 1.00 H new ATOM 729 N LYS A 45 -8.036 0.311 -8.744 1.00 1.00 N ATOM 730 CA LYS A 45 -9.322 1.052 -8.856 1.00 1.00 C ATOM 731 C LYS A 45 -10.459 0.046 -9.031 1.00 1.00 C ATOM 732 O LYS A 45 -11.613 0.343 -8.793 1.00 1.00 O ATOM 733 CB LYS A 45 -9.270 1.987 -10.066 1.00 1.00 C ATOM 734 CG LYS A 45 -7.924 2.717 -10.089 1.00 1.00 C ATOM 735 CD LYS A 45 -7.869 3.656 -11.296 1.00 1.00 C ATOM 736 CE LYS A 45 -8.929 4.754 -11.155 1.00 1.00 C ATOM 737 NZ LYS A 45 -8.495 5.963 -11.909 1.00 1.00 N ATOM 0 H LYS A 45 -7.379 0.461 -9.509 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.489 1.643 -7.956 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -9.402 1.417 -10.986 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -10.086 2.708 -10.017 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -7.791 3.284 -9.168 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -7.109 1.996 -10.139 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -6.878 4.104 -11.374 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.037 3.092 -12.214 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.887 4.400 -11.535 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.075 5.001 -10.103 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.331 6.469 -12.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -7.953 6.589 -11.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -7.897 5.676 -12.710 1.00 1.00 H new ATOM 751 N ALA A 46 -10.134 -1.146 -9.447 1.00 1.00 N ATOM 752 CA ALA A 46 -11.180 -2.187 -9.645 1.00 1.00 C ATOM 753 C ALA A 46 -11.579 -2.776 -8.290 1.00 1.00 C ATOM 754 O ALA A 46 -12.718 -3.133 -8.068 1.00 1.00 O ATOM 755 CB ALA A 46 -10.619 -3.297 -10.537 1.00 1.00 C ATOM 0 H ALA A 46 -9.182 -1.445 -9.660 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.056 -1.742 -10.117 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.380 -4.063 -10.686 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.331 -2.878 -11.501 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.746 -3.741 -10.059 1.00 1.00 H new ATOM 761 N LEU A 47 -10.645 -2.885 -7.384 1.00 1.00 N ATOM 762 CA LEU A 47 -10.967 -3.456 -6.045 1.00 1.00 C ATOM 763 C LEU A 47 -12.083 -2.638 -5.386 1.00 1.00 C ATOM 764 O LEU A 47 -12.604 -3.008 -4.353 1.00 1.00 O ATOM 765 CB LEU A 47 -9.712 -3.425 -5.161 1.00 1.00 C ATOM 766 CG LEU A 47 -8.899 -4.714 -5.359 1.00 1.00 C ATOM 767 CD1 LEU A 47 -7.430 -4.453 -5.019 1.00 1.00 C ATOM 768 CD2 LEU A 47 -9.442 -5.813 -4.439 1.00 1.00 C ATOM 0 H LEU A 47 -9.673 -2.603 -7.513 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.303 -4.486 -6.163 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.101 -2.558 -5.412 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -9.997 -3.322 -4.114 1.00 1.00 H new ATOM 0 HG LEU A 47 -8.983 -5.033 -6.398 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -6.856 -5.369 -5.160 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.038 -3.674 -5.673 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.349 -4.130 -3.981 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -8.863 -6.726 -4.582 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -9.362 -5.491 -3.401 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -10.488 -6.005 -4.679 1.00 1.00 H new ATOM 780 N CYS A 48 -12.458 -1.532 -5.973 1.00 1.00 N ATOM 781 CA CYS A 48 -13.543 -0.699 -5.374 1.00 1.00 C ATOM 782 C CYS A 48 -14.435 -0.151 -6.489 1.00 1.00 C ATOM 783 O CYS A 48 -14.751 1.019 -6.524 1.00 1.00 O ATOM 784 CB CYS A 48 -12.930 0.464 -4.582 1.00 1.00 C ATOM 785 SG CYS A 48 -12.430 -0.127 -2.945 1.00 1.00 S ATOM 0 H CYS A 48 -12.061 -1.170 -6.840 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.140 -1.313 -4.699 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.069 0.868 -5.114 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.653 1.274 -4.484 1.00 1.00 H new ATOM 790 N LYS A 49 -14.846 -0.988 -7.401 1.00 1.00 N ATOM 791 CA LYS A 49 -15.720 -0.511 -8.510 1.00 1.00 C ATOM 792 C LYS A 49 -17.187 -0.758 -8.147 1.00 1.00 C ATOM 793 O LYS A 49 -17.546 -1.811 -7.658 1.00 1.00 O ATOM 794 CB LYS A 49 -15.371 -1.274 -9.790 1.00 1.00 C ATOM 795 CG LYS A 49 -15.818 -2.733 -9.661 1.00 1.00 C ATOM 796 CD LYS A 49 -15.157 -3.569 -10.759 1.00 1.00 C ATOM 797 CE LYS A 49 -15.875 -4.914 -10.881 1.00 1.00 C ATOM 798 NZ LYS A 49 -16.270 -5.392 -9.526 1.00 1.00 N ATOM 0 H LYS A 49 -14.615 -1.981 -7.427 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.564 0.556 -8.668 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -15.859 -0.809 -10.646 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.297 -1.227 -9.971 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.546 -3.122 -8.680 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -16.903 -2.800 -9.741 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.197 -3.037 -11.709 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.104 -3.727 -10.526 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -16.757 -4.811 -11.513 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.223 -5.644 -11.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.473 -6.411 -9.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.493 -5.218 -8.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.119 -4.881 -9.211 1.00 1.00 H new ATOM 812 N ASN A 50 -18.036 0.207 -8.385 1.00 1.00 N ATOM 813 CA ASN A 50 -19.486 0.040 -8.062 1.00 1.00 C ATOM 814 C ASN A 50 -19.709 0.214 -6.555 1.00 1.00 C ATOM 815 O ASN A 50 -20.809 0.069 -6.062 1.00 1.00 O ATOM 816 CB ASN A 50 -19.956 -1.356 -8.497 1.00 1.00 C ATOM 817 CG ASN A 50 -21.429 -1.301 -8.906 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.888 -2.119 -9.679 1.00 1.00 O ATOM 819 ND2 ASN A 50 -22.195 -0.364 -8.418 1.00 1.00 N ATOM 0 H ASN A 50 -17.787 1.109 -8.791 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.060 0.797 -8.597 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.350 -1.711 -9.331 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.822 -2.066 -7.681 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.178 -0.318 -8.685 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.810 0.323 -7.769 1.00 1.00 H new ATOM 826 N ILE A 51 -18.677 0.529 -5.819 1.00 1.00 N ATOM 827 CA ILE A 51 -18.842 0.713 -4.349 1.00 1.00 C ATOM 828 C ILE A 51 -19.755 1.912 -4.089 1.00 1.00 C ATOM 829 O ILE A 51 -20.162 2.604 -5.001 1.00 1.00 O ATOM 830 CB ILE A 51 -17.470 0.957 -3.710 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.580 -0.274 -3.918 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.624 1.228 -2.210 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.232 -1.517 -3.296 1.00 1.00 C ATOM 0 H ILE A 51 -17.730 0.666 -6.171 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.288 -0.181 -3.913 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.011 1.826 -4.182 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.416 -0.436 -4.983 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.602 -0.104 -3.467 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.642 1.400 -1.769 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.248 2.110 -2.062 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.092 0.368 -1.731 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.588 -2.382 -3.452 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.373 -1.358 -2.227 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.199 -1.695 -3.767 1.00 1.00 H new ATOM 845 N ARG A 52 -20.083 2.157 -2.851 1.00 1.00 N ATOM 846 CA ARG A 52 -20.978 3.305 -2.521 1.00 1.00 C ATOM 847 C ARG A 52 -20.139 4.496 -2.048 1.00 1.00 C ATOM 848 O ARG A 52 -19.288 4.990 -2.760 1.00 1.00 O ATOM 849 CB ARG A 52 -21.945 2.888 -1.410 1.00 1.00 C ATOM 850 CG ARG A 52 -23.057 3.939 -1.260 1.00 1.00 C ATOM 851 CD ARG A 52 -24.265 3.556 -2.123 1.00 1.00 C ATOM 852 NE ARG A 52 -23.900 3.654 -3.565 1.00 1.00 N ATOM 853 CZ ARG A 52 -24.567 2.971 -4.457 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.553 2.200 -4.087 1.00 1.00 N ATOM 855 NH2 ARG A 52 -24.245 3.059 -5.719 1.00 1.00 N ATOM 0 H ARG A 52 -19.769 1.610 -2.049 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.541 3.593 -3.409 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -22.381 1.916 -1.641 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.406 2.780 -0.469 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.357 4.016 -0.215 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -22.684 4.919 -1.557 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.586 2.542 -1.887 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -25.105 4.216 -1.904 1.00 1.00 H new ATOM 0 HE ARG A 52 -23.129 4.255 -3.856 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.803 2.130 -3.101 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.073 1.667 -4.784 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -23.473 3.660 -6.008 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -24.765 2.526 -6.416 1.00 1.00 H new ATOM 869 N ASP A 53 -20.382 4.966 -0.853 1.00 1.00 N ATOM 870 CA ASP A 53 -19.613 6.131 -0.326 1.00 1.00 C ATOM 871 C ASP A 53 -18.518 5.653 0.616 1.00 1.00 C ATOM 872 O ASP A 53 -17.945 4.594 0.447 1.00 1.00 O ATOM 873 CB ASP A 53 -20.563 7.059 0.436 1.00 1.00 C ATOM 874 CG ASP A 53 -21.781 7.368 -0.436 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.704 7.139 -1.632 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.771 7.829 0.108 1.00 1.00 O ATOM 0 H ASP A 53 -21.084 4.590 -0.216 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.158 6.665 -1.160 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.879 6.589 1.367 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -20.050 7.983 0.703 1.00 1.00 H new ATOM 881 N ASN A 54 -18.218 6.445 1.595 1.00 1.00 N ATOM 882 CA ASN A 54 -17.146 6.078 2.560 1.00 1.00 C ATOM 883 C ASN A 54 -17.555 4.825 3.336 1.00 1.00 C ATOM 884 O ASN A 54 -18.413 4.862 4.193 1.00 1.00 O ATOM 885 CB ASN A 54 -16.927 7.232 3.540 1.00 1.00 C ATOM 886 CG ASN A 54 -16.604 8.509 2.762 1.00 1.00 C ATOM 887 OD1 ASN A 54 -15.462 8.763 2.435 1.00 1.00 O ATOM 888 ND2 ASN A 54 -17.569 9.329 2.448 1.00 1.00 N ATOM 0 H ASN A 54 -18.671 7.341 1.774 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.224 5.879 2.014 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.819 7.380 4.149 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.111 6.993 4.223 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -17.364 10.182 1.928 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.528 9.117 2.722 1.00 1.00 H new ATOM 895 N THR A 55 -16.935 3.715 3.036 1.00 1.00 N ATOM 896 CA THR A 55 -17.269 2.448 3.748 1.00 1.00 C ATOM 897 C THR A 55 -15.994 1.618 3.914 1.00 1.00 C ATOM 898 O THR A 55 -15.013 1.827 3.226 1.00 1.00 O ATOM 899 CB THR A 55 -18.301 1.657 2.933 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.028 2.549 2.102 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.268 0.937 3.877 1.00 1.00 C ATOM 0 H THR A 55 -16.208 3.631 2.325 1.00 1.00 H new ATOM 0 HA THR A 55 -17.688 2.675 4.728 1.00 1.00 H new ATOM 0 HB THR A 55 -17.785 0.920 2.318 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.687 2.046 1.579 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.998 0.377 3.292 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.711 0.251 4.515 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.785 1.670 4.497 1.00 1.00 H new ATOM 909 N ASP A 56 -15.996 0.685 4.827 1.00 1.00 N ATOM 910 CA ASP A 56 -14.782 -0.153 5.047 1.00 1.00 C ATOM 911 C ASP A 56 -14.921 -1.486 4.308 1.00 1.00 C ATOM 912 O ASP A 56 -15.846 -2.240 4.534 1.00 1.00 O ATOM 913 CB ASP A 56 -14.619 -0.422 6.545 1.00 1.00 C ATOM 914 CG ASP A 56 -14.608 0.906 7.304 1.00 1.00 C ATOM 915 OD1 ASP A 56 -15.381 1.778 6.945 1.00 1.00 O ATOM 916 OD2 ASP A 56 -13.825 1.028 8.232 1.00 1.00 O ATOM 0 H ASP A 56 -16.788 0.466 5.432 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.909 0.377 4.666 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.434 -1.051 6.903 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.692 -0.966 6.729 1.00 1.00 H new ATOM 921 N VAL A 57 -13.995 -1.783 3.433 1.00 1.00 N ATOM 922 CA VAL A 57 -14.046 -3.071 2.678 1.00 1.00 C ATOM 923 C VAL A 57 -12.827 -3.917 3.058 1.00 1.00 C ATOM 924 O VAL A 57 -12.007 -3.509 3.856 1.00 1.00 O ATOM 925 CB VAL A 57 -14.027 -2.788 1.174 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.373 -2.195 0.750 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.911 -1.793 0.855 1.00 1.00 C ATOM 0 H VAL A 57 -13.200 -1.184 3.208 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.961 -3.608 2.927 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.851 -3.717 0.633 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.360 -1.993 -0.321 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -16.170 -2.903 0.976 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.548 -1.266 1.292 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.898 -1.592 -0.216 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -13.086 -0.863 1.397 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.952 -2.213 1.157 1.00 1.00 H new ATOM 937 N LEU A 58 -12.707 -5.095 2.511 1.00 1.00 N ATOM 938 CA LEU A 58 -11.545 -5.963 2.864 1.00 1.00 C ATOM 939 C LEU A 58 -11.272 -6.944 1.723 1.00 1.00 C ATOM 940 O LEU A 58 -12.183 -7.454 1.103 1.00 1.00 O ATOM 941 CB LEU A 58 -11.886 -6.726 4.151 1.00 1.00 C ATOM 942 CG LEU A 58 -10.835 -7.801 4.454 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.439 -7.185 4.486 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.130 -8.404 5.824 1.00 1.00 C ATOM 0 H LEU A 58 -13.360 -5.494 1.837 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.652 -5.358 3.020 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -11.947 -6.028 4.986 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.867 -7.191 4.052 1.00 1.00 H new ATOM 0 HG LEU A 58 -10.874 -8.565 3.677 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.704 -7.960 4.702 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.218 -6.735 3.518 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.397 -6.419 5.260 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.389 -9.170 6.051 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.088 -7.622 6.582 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.124 -8.851 5.818 1.00 1.00 H new ATOM 956 N SER A 59 -10.024 -7.210 1.433 1.00 1.00 N ATOM 957 CA SER A 59 -9.715 -8.156 0.326 1.00 1.00 C ATOM 958 C SER A 59 -10.450 -9.478 0.577 1.00 1.00 C ATOM 959 O SER A 59 -10.727 -9.843 1.702 1.00 1.00 O ATOM 960 CB SER A 59 -8.198 -8.381 0.251 1.00 1.00 C ATOM 961 OG SER A 59 -7.695 -7.761 -0.925 1.00 1.00 O ATOM 0 H SER A 59 -9.214 -6.816 1.912 1.00 1.00 H new ATOM 0 HA SER A 59 -10.049 -7.742 -0.626 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.712 -7.965 1.133 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.976 -9.448 0.238 1.00 1.00 H new ATOM 0 HG SER A 59 -7.080 -8.373 -1.380 1.00 1.00 H new ATOM 967 N ARG A 60 -10.799 -10.183 -0.467 1.00 1.00 N ATOM 968 CA ARG A 60 -11.546 -11.463 -0.292 1.00 1.00 C ATOM 969 C ARG A 60 -10.573 -12.637 -0.161 1.00 1.00 C ATOM 970 O ARG A 60 -10.962 -13.784 -0.248 1.00 1.00 O ATOM 971 CB ARG A 60 -12.450 -11.689 -1.504 1.00 1.00 C ATOM 972 CG ARG A 60 -13.480 -10.562 -1.593 1.00 1.00 C ATOM 973 CD ARG A 60 -14.584 -10.952 -2.576 1.00 1.00 C ATOM 974 NE ARG A 60 -15.484 -11.956 -1.940 1.00 1.00 N ATOM 975 CZ ARG A 60 -16.436 -12.513 -2.637 1.00 1.00 C ATOM 976 NH1 ARG A 60 -16.600 -12.191 -3.891 1.00 1.00 N ATOM 977 NH2 ARG A 60 -17.223 -13.393 -2.080 1.00 1.00 N ATOM 0 H ARG A 60 -10.599 -9.927 -1.434 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.146 -11.400 0.616 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.852 -11.722 -2.415 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.955 -12.651 -1.419 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.907 -10.368 -0.609 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.998 -9.640 -1.919 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -15.154 -10.070 -2.868 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.147 -11.364 -3.485 1.00 1.00 H new ATOM 0 HE ARG A 60 -15.356 -12.208 -0.960 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.984 -11.504 -4.326 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -17.344 -12.626 -4.436 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -17.094 -13.645 -1.100 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -17.967 -13.829 -2.625 1.00 1.00 H new ATOM 991 N ASP A 61 -9.315 -12.368 0.048 1.00 1.00 N ATOM 992 CA ASP A 61 -8.339 -13.486 0.181 1.00 1.00 C ATOM 993 C ASP A 61 -7.008 -12.948 0.701 1.00 1.00 C ATOM 994 O ASP A 61 -6.798 -12.833 1.892 1.00 1.00 O ATOM 995 CB ASP A 61 -8.129 -14.147 -1.182 1.00 1.00 C ATOM 996 CG ASP A 61 -7.988 -13.068 -2.257 1.00 1.00 C ATOM 997 OD1 ASP A 61 -8.955 -12.359 -2.486 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.918 -12.969 -2.834 1.00 1.00 O ATOM 0 H ASP A 61 -8.922 -11.431 0.132 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.728 -14.223 0.884 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.237 -14.773 -1.161 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -8.970 -14.799 -1.415 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.104 -12.620 -0.179 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.790 -12.096 0.280 1.00 1.00 C ATOM 1005 C ALA A 62 -4.139 -11.274 -0.833 1.00 1.00 C ATOM 1006 O ALA A 62 -4.564 -11.301 -1.971 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.877 -13.266 0.651 1.00 1.00 C ATOM 0 H ALA A 62 -6.218 -12.692 -1.190 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.943 -11.460 1.152 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.914 -12.883 0.988 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.336 -13.846 1.451 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.730 -13.903 -0.221 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.107 -10.546 -0.509 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.419 -9.720 -1.540 1.00 1.00 C ATOM 1015 C PHE A 63 -0.945 -9.574 -1.159 1.00 1.00 C ATOM 1016 O PHE A 63 -0.609 -9.382 -0.007 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.076 -8.336 -1.611 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.233 -8.371 -2.583 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.486 -8.834 -2.165 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.050 -7.942 -3.903 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.556 -8.867 -3.068 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.120 -7.975 -4.806 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.373 -8.438 -4.388 1.00 1.00 C ATOM 0 H PHE A 63 -2.709 -10.487 0.428 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.499 -10.203 -2.514 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.427 -8.038 -0.623 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.345 -7.592 -1.927 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.628 -9.166 -1.147 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.083 -7.585 -4.225 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.523 -9.224 -2.746 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.978 -7.643 -5.824 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.199 -8.464 -5.084 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.066 -9.670 -2.118 1.00 1.00 N ATOM 1034 CA LEU A 64 1.389 -9.543 -1.818 1.00 1.00 C ATOM 1035 C LEU A 64 1.748 -8.065 -1.682 1.00 1.00 C ATOM 1036 O LEU A 64 1.686 -7.313 -2.634 1.00 1.00 O ATOM 1037 CB LEU A 64 2.193 -10.162 -2.969 1.00 1.00 C ATOM 1038 CG LEU A 64 3.625 -10.490 -2.509 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.159 -11.681 -3.310 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.538 -9.281 -2.743 1.00 1.00 C ATOM 0 H LEU A 64 -0.293 -9.831 -3.099 1.00 1.00 H new ATOM 0 HA LEU A 64 1.623 -10.060 -0.887 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.700 -11.069 -3.319 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.224 -9.471 -3.812 1.00 1.00 H new ATOM 0 HG LEU A 64 3.610 -10.734 -1.447 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.173 -11.913 -2.984 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.518 -12.547 -3.146 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.167 -11.432 -4.371 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.550 -9.520 -2.415 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.549 -9.034 -3.805 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.165 -8.428 -2.176 1.00 1.00 H new ATOM 1052 N LEU A 65 2.122 -7.634 -0.505 1.00 1.00 N ATOM 1053 CA LEU A 65 2.485 -6.199 -0.322 1.00 1.00 C ATOM 1054 C LEU A 65 3.928 -6.082 0.187 1.00 1.00 C ATOM 1055 O LEU A 65 4.322 -6.773 1.105 1.00 1.00 O ATOM 1056 CB LEU A 65 1.556 -5.528 0.708 1.00 1.00 C ATOM 1057 CG LEU A 65 0.563 -6.525 1.297 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.082 -5.986 2.645 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.631 -6.665 0.346 1.00 1.00 C ATOM 0 H LEU A 65 2.191 -8.211 0.333 1.00 1.00 H new ATOM 0 HA LEU A 65 2.382 -5.703 -1.287 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.153 -5.092 1.508 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.014 -4.710 0.233 1.00 1.00 H new ATOM 0 HG LEU A 65 1.034 -7.499 1.430 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.630 -6.685 3.083 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.934 -5.868 3.315 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.401 -5.020 2.499 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.345 -7.376 0.761 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.114 -5.696 0.223 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.284 -7.023 -0.623 1.00 1.00 H new ATOM 1071 N PRO A 66 4.698 -5.179 -0.370 1.00 1.00 N ATOM 1072 CA PRO A 66 6.096 -4.945 0.081 1.00 1.00 C ATOM 1073 C PRO A 66 6.095 -4.183 1.410 1.00 1.00 C ATOM 1074 O PRO A 66 5.152 -3.482 1.719 1.00 1.00 O ATOM 1075 CB PRO A 66 6.709 -4.097 -1.037 1.00 1.00 C ATOM 1076 CG PRO A 66 5.556 -3.405 -1.689 1.00 1.00 C ATOM 1077 CD PRO A 66 4.328 -4.294 -1.487 1.00 1.00 C ATOM 0 HA PRO A 66 6.653 -5.866 0.252 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.424 -3.378 -0.637 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.248 -4.719 -1.751 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.397 -2.421 -1.247 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.749 -3.250 -2.750 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.444 -3.703 -1.250 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.098 -4.864 -2.387 1.00 1.00 H new ATOM 1085 N GLN A 67 7.112 -4.321 2.214 1.00 1.00 N ATOM 1086 CA GLN A 67 7.112 -3.601 3.521 1.00 1.00 C ATOM 1087 C GLN A 67 8.533 -3.185 3.902 1.00 1.00 C ATOM 1088 O GLN A 67 9.454 -3.975 3.866 1.00 1.00 O ATOM 1089 CB GLN A 67 6.544 -4.520 4.606 1.00 1.00 C ATOM 1090 CG GLN A 67 6.153 -3.689 5.829 1.00 1.00 C ATOM 1091 CD GLN A 67 5.619 -4.612 6.925 1.00 1.00 C ATOM 1092 OE1 GLN A 67 6.373 -5.330 7.551 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.340 -4.624 7.185 1.00 1.00 N ATOM 0 H GLN A 67 7.935 -4.894 2.027 1.00 1.00 H new ATOM 0 HA GLN A 67 6.496 -2.706 3.431 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.675 -5.056 4.225 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.284 -5.270 4.885 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.016 -3.134 6.195 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.395 -2.955 5.556 1.00 1.00 H new ATOM 0 HE21 GLN A 67 3.707 -4.021 6.659 1.00 1.00 H new ATOM 0 HE22 GLN A 67 3.973 -5.236 7.914 1.00 1.00 H new ATOM 1102 N CYS A 68 8.710 -1.947 4.282 1.00 1.00 N ATOM 1103 CA CYS A 68 10.067 -1.476 4.685 1.00 1.00 C ATOM 1104 C CYS A 68 10.231 -1.655 6.196 1.00 1.00 C ATOM 1105 O CYS A 68 9.458 -1.132 6.975 1.00 1.00 O ATOM 1106 CB CYS A 68 10.222 0.003 4.333 1.00 1.00 C ATOM 1107 SG CYS A 68 9.696 0.273 2.626 1.00 1.00 S ATOM 0 H CYS A 68 7.974 -1.242 4.331 1.00 1.00 H new ATOM 0 HA CYS A 68 10.825 -2.055 4.158 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.625 0.614 5.010 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.260 0.311 4.458 1.00 1.00 H new ATOM 1112 N ASP A 69 11.225 -2.394 6.618 1.00 1.00 N ATOM 1113 CA ASP A 69 11.432 -2.612 8.083 1.00 1.00 C ATOM 1114 C ASP A 69 12.820 -2.111 8.496 1.00 1.00 C ATOM 1115 O ASP A 69 13.830 -2.681 8.132 1.00 1.00 O ATOM 1116 CB ASP A 69 11.321 -4.105 8.393 1.00 1.00 C ATOM 1117 CG ASP A 69 11.281 -4.312 9.908 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.337 -4.286 10.519 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.195 -4.493 10.433 1.00 1.00 O ATOM 0 H ASP A 69 11.903 -2.856 6.012 1.00 1.00 H new ATOM 0 HA ASP A 69 10.672 -2.061 8.638 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.421 -4.516 7.936 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.169 -4.640 7.965 1.00 1.00 H new ATOM 1124 N ARG A 70 12.878 -1.052 9.261 1.00 1.00 N ATOM 1125 CA ARG A 70 14.198 -0.521 9.705 1.00 1.00 C ATOM 1126 C ARG A 70 14.781 -1.442 10.778 1.00 1.00 C ATOM 1127 O ARG A 70 14.061 -2.125 11.480 1.00 1.00 O ATOM 1128 CB ARG A 70 14.012 0.886 10.283 1.00 1.00 C ATOM 1129 CG ARG A 70 15.373 1.467 10.706 1.00 1.00 C ATOM 1130 CD ARG A 70 15.531 1.368 12.227 1.00 1.00 C ATOM 1131 NE ARG A 70 16.893 1.835 12.614 1.00 1.00 N ATOM 1132 CZ ARG A 70 17.393 1.499 13.772 1.00 1.00 C ATOM 1133 NH1 ARG A 70 16.700 0.756 14.590 1.00 1.00 N ATOM 1134 NH2 ARG A 70 18.585 1.907 14.111 1.00 1.00 N ATOM 0 H ARG A 70 12.067 -0.533 9.597 1.00 1.00 H new ATOM 0 HA ARG A 70 14.879 -0.477 8.855 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.546 1.534 9.541 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.341 0.850 11.141 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.179 0.925 10.212 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.448 2.508 10.391 1.00 1.00 H new ATOM 0 HD2 ARG A 70 14.772 1.973 12.723 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.381 0.339 12.553 1.00 1.00 H new ATOM 0 HE ARG A 70 17.434 2.417 11.974 1.00 1.00 H new ATOM 0 HH11 ARG A 70 15.768 0.438 14.325 1.00 1.00 H new ATOM 0 HH12 ARG A 70 17.090 0.493 15.495 1.00 1.00 H new ATOM 0 HH21 ARG A 70 19.126 2.489 13.471 1.00 1.00 H new ATOM 0 HH22 ARG A 70 18.976 1.644 15.016 1.00 1.00 H new ATOM 1148 N ILE A 71 16.079 -1.467 10.914 1.00 1.00 N ATOM 1149 CA ILE A 71 16.700 -2.347 11.945 1.00 1.00 C ATOM 1150 C ILE A 71 18.195 -2.037 12.054 1.00 1.00 C ATOM 1151 O ILE A 71 18.765 -2.065 13.127 1.00 1.00 O ATOM 1152 CB ILE A 71 16.513 -3.811 11.544 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.069 -4.715 12.646 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.261 -4.084 10.237 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.699 -6.170 12.350 1.00 1.00 C ATOM 0 H ILE A 71 16.735 -0.918 10.358 1.00 1.00 H new ATOM 0 HA ILE A 71 16.222 -2.167 12.908 1.00 1.00 H new ATOM 0 HB ILE A 71 15.452 -4.016 11.404 1.00 1.00 H new ATOM 0 HG12 ILE A 71 18.152 -4.609 12.705 1.00 1.00 H new ATOM 0 HG13 ILE A 71 16.666 -4.416 13.614 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.127 -5.128 9.952 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.867 -3.440 9.451 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.323 -3.879 10.376 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.096 -6.813 13.136 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.614 -6.269 12.313 1.00 1.00 H new ATOM 0 HD13 ILE A 71 17.123 -6.465 11.390 1.00 1.00 H new ATOM 1167 N LYS A 72 18.837 -1.746 10.951 1.00 1.00 N ATOM 1168 CA LYS A 72 20.300 -1.441 10.988 1.00 1.00 C ATOM 1169 C LYS A 72 20.569 -0.119 10.264 1.00 1.00 C ATOM 1170 O LYS A 72 19.687 0.466 9.666 1.00 1.00 O ATOM 1171 CB LYS A 72 21.070 -2.565 10.293 1.00 1.00 C ATOM 1172 CG LYS A 72 20.628 -2.662 8.831 1.00 1.00 C ATOM 1173 CD LYS A 72 21.123 -3.980 8.234 1.00 1.00 C ATOM 1174 CE LYS A 72 20.968 -3.942 6.712 1.00 1.00 C ATOM 1175 NZ LYS A 72 22.037 -3.085 6.125 1.00 1.00 N ATOM 0 H LYS A 72 18.411 -1.706 10.025 1.00 1.00 H new ATOM 0 HA LYS A 72 20.626 -1.359 12.025 1.00 1.00 H new ATOM 0 HB2 LYS A 72 22.142 -2.373 10.348 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.889 -3.512 10.802 1.00 1.00 H new ATOM 0 HG2 LYS A 72 19.542 -2.606 8.764 1.00 1.00 H new ATOM 0 HG3 LYS A 72 21.026 -1.821 8.263 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.168 -4.142 8.500 1.00 1.00 H new ATOM 0 HD3 LYS A 72 20.556 -4.814 8.647 1.00 1.00 H new ATOM 0 HE2 LYS A 72 21.031 -4.951 6.304 1.00 1.00 H new ATOM 0 HE3 LYS A 72 19.986 -3.551 6.445 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.130 -3.292 5.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 21.788 -2.083 6.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 22.940 -3.281 6.602 1.00 1.00 H new ATOM 1189 N LEU A 73 21.787 0.351 10.308 1.00 1.00 N ATOM 1190 CA LEU A 73 22.128 1.628 9.625 1.00 1.00 C ATOM 1191 C LEU A 73 21.151 2.725 10.075 1.00 1.00 C ATOM 1192 O LEU A 73 20.202 2.460 10.785 1.00 1.00 O ATOM 1193 CB LEU A 73 22.018 1.407 8.105 1.00 1.00 C ATOM 1194 CG LEU A 73 23.409 1.456 7.462 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.145 0.142 7.731 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.265 1.657 5.951 1.00 1.00 C ATOM 0 H LEU A 73 22.564 -0.100 10.792 1.00 1.00 H new ATOM 0 HA LEU A 73 23.141 1.939 9.879 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.549 0.444 7.903 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.378 2.171 7.664 1.00 1.00 H new ATOM 0 HG LEU A 73 23.976 2.284 7.889 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.134 0.178 7.273 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.248 -0.004 8.806 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.578 -0.686 7.305 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.253 1.692 5.493 1.00 1.00 H new ATOM 0 HD22 LEU A 73 22.697 0.829 5.526 1.00 1.00 H new ATOM 0 HD23 LEU A 73 22.742 2.593 5.757 1.00 1.00 H new ATOM 1208 N PRO A 74 21.377 3.949 9.658 1.00 1.00 N ATOM 1209 CA PRO A 74 20.496 5.093 10.018 1.00 1.00 C ATOM 1210 C PRO A 74 19.306 5.238 9.066 1.00 1.00 C ATOM 1211 O PRO A 74 18.176 5.383 9.490 1.00 1.00 O ATOM 1212 CB PRO A 74 21.433 6.293 9.894 1.00 1.00 C ATOM 1213 CG PRO A 74 22.398 5.921 8.812 1.00 1.00 C ATOM 1214 CD PRO A 74 22.502 4.388 8.811 1.00 1.00 C ATOM 0 HA PRO A 74 20.049 4.976 11.005 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.883 7.198 9.638 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.950 6.489 10.833 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.052 6.285 7.845 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.373 6.374 8.992 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.422 3.984 7.802 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.458 4.053 9.214 1.00 1.00 H new ATOM 1222 N CYS A 75 19.553 5.206 7.782 1.00 1.00 N ATOM 1223 CA CYS A 75 18.442 5.350 6.796 1.00 1.00 C ATOM 1224 C CYS A 75 18.407 4.124 5.880 1.00 1.00 C ATOM 1225 O CYS A 75 18.533 4.233 4.677 1.00 1.00 O ATOM 1226 CB CYS A 75 18.673 6.608 5.959 1.00 1.00 C ATOM 1227 SG CYS A 75 17.156 7.028 5.065 1.00 1.00 S ATOM 0 H CYS A 75 20.480 5.086 7.373 1.00 1.00 H new ATOM 0 HA CYS A 75 17.492 5.431 7.324 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.969 7.436 6.603 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.489 6.444 5.255 1.00 1.00 H new ATOM 1232 N HIS A 76 18.232 2.960 6.444 1.00 1.00 N ATOM 1233 CA HIS A 76 18.180 1.717 5.618 1.00 1.00 C ATOM 1234 C HIS A 76 16.990 0.868 6.067 1.00 1.00 C ATOM 1235 O HIS A 76 16.554 0.950 7.199 1.00 1.00 O ATOM 1236 CB HIS A 76 19.474 0.922 5.810 1.00 1.00 C ATOM 1237 CG HIS A 76 19.496 -0.237 4.853 1.00 1.00 C ATOM 1238 ND1 HIS A 76 18.893 -1.453 5.149 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.045 -0.385 3.602 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.092 -2.271 4.098 1.00 1.00 C ATOM 1241 NE2 HIS A 76 19.787 -1.667 3.132 1.00 1.00 N ATOM 0 H HIS A 76 18.122 2.815 7.448 1.00 1.00 H new ATOM 0 HA HIS A 76 18.070 1.979 4.566 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.337 1.565 5.639 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.543 0.561 6.836 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.592 0.377 3.067 1.00 1.00 H new ATOM 0 HE1 HIS A 76 18.734 -3.288 4.044 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.070 -2.064 2.236 1.00 1.00 H new ATOM 1250 N TYR A 77 16.457 0.056 5.193 1.00 1.00 N ATOM 1251 CA TYR A 77 15.290 -0.793 5.576 1.00 1.00 C ATOM 1252 C TYR A 77 15.475 -2.207 5.026 1.00 1.00 C ATOM 1253 O TYR A 77 16.308 -2.452 4.176 1.00 1.00 O ATOM 1254 CB TYR A 77 14.008 -0.186 5.001 1.00 1.00 C ATOM 1255 CG TYR A 77 14.073 1.318 5.105 1.00 1.00 C ATOM 1256 CD1 TYR A 77 13.825 1.945 6.331 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.383 2.086 3.976 1.00 1.00 C ATOM 1258 CE1 TYR A 77 13.885 3.340 6.430 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.443 3.482 4.075 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.194 4.107 5.301 1.00 1.00 C ATOM 1261 OH TYR A 77 14.252 5.483 5.397 1.00 1.00 O ATOM 0 H TYR A 77 16.778 -0.056 4.232 1.00 1.00 H new ATOM 0 HA TYR A 77 15.219 -0.837 6.663 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.887 -0.484 3.960 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.140 -0.562 5.543 1.00 1.00 H new ATOM 0 HD1 TYR A 77 13.587 1.352 7.202 1.00 1.00 H new ATOM 0 HD2 TYR A 77 14.576 1.602 3.030 1.00 1.00 H new ATOM 0 HE1 TYR A 77 13.693 3.824 7.376 1.00 1.00 H new ATOM 0 HE2 TYR A 77 14.681 4.075 3.205 1.00 1.00 H new ATOM 0 HH TYR A 77 15.183 5.763 5.518 1.00 1.00 H new ATOM 1271 N LYS A 78 14.694 -3.140 5.506 1.00 1.00 N ATOM 1272 CA LYS A 78 14.806 -4.544 5.019 1.00 1.00 C ATOM 1273 C LYS A 78 13.604 -4.859 4.128 1.00 1.00 C ATOM 1274 O LYS A 78 12.519 -4.349 4.331 1.00 1.00 O ATOM 1275 CB LYS A 78 14.817 -5.499 6.217 1.00 1.00 C ATOM 1276 CG LYS A 78 15.288 -6.890 5.770 1.00 1.00 C ATOM 1277 CD LYS A 78 16.816 -6.967 5.832 1.00 1.00 C ATOM 1278 CE LYS A 78 17.270 -8.382 5.466 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.744 -8.389 5.245 1.00 1.00 N ATOM 0 H LYS A 78 13.980 -2.987 6.218 1.00 1.00 H new ATOM 0 HA LYS A 78 15.728 -4.666 4.451 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.477 -5.114 6.994 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.819 -5.565 6.650 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.850 -7.655 6.411 1.00 1.00 H new ATOM 0 HG3 LYS A 78 14.946 -7.091 4.755 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.256 -6.243 5.145 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.164 -6.709 6.832 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.008 -9.077 6.263 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.755 -8.720 4.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.053 -9.350 4.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.982 -7.737 4.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.227 -8.084 6.114 1.00 1.00 H new ATOM 1293 N LEU A 79 13.792 -5.690 3.137 1.00 1.00 N ATOM 1294 CA LEU A 79 12.664 -6.035 2.226 1.00 1.00 C ATOM 1295 C LEU A 79 11.836 -7.166 2.844 1.00 1.00 C ATOM 1296 O LEU A 79 12.303 -8.276 3.001 1.00 1.00 O ATOM 1297 CB LEU A 79 13.231 -6.489 0.873 1.00 1.00 C ATOM 1298 CG LEU A 79 12.210 -6.232 -0.247 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.870 -6.875 0.117 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.017 -4.720 -0.452 1.00 1.00 C ATOM 0 H LEU A 79 14.679 -6.144 2.920 1.00 1.00 H new ATOM 0 HA LEU A 79 12.027 -5.162 2.081 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.156 -5.953 0.661 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.479 -7.550 0.912 1.00 1.00 H new ATOM 0 HG LEU A 79 12.584 -6.671 -1.172 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.149 -6.690 -0.680 1.00 1.00 H new ATOM 0 HD12 LEU A 79 11.004 -7.949 0.243 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.500 -6.444 1.047 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.292 -4.550 -1.248 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.653 -4.271 0.472 1.00 1.00 H new ATOM 0 HD23 LEU A 79 12.969 -4.266 -0.726 1.00 1.00 H new ATOM 1312 N SER A 80 10.609 -6.888 3.193 1.00 1.00 N ATOM 1313 CA SER A 80 9.738 -7.937 3.798 1.00 1.00 C ATOM 1314 C SER A 80 8.352 -7.865 3.155 1.00 1.00 C ATOM 1315 O SER A 80 7.690 -6.848 3.208 1.00 1.00 O ATOM 1316 CB SER A 80 9.617 -7.695 5.302 1.00 1.00 C ATOM 1317 OG SER A 80 8.467 -8.367 5.797 1.00 1.00 O ATOM 0 H SER A 80 10.170 -5.974 3.084 1.00 1.00 H new ATOM 0 HA SER A 80 10.173 -8.922 3.627 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.510 -8.055 5.812 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.543 -6.627 5.505 1.00 1.00 H new ATOM 0 HG SER A 80 8.389 -8.214 6.762 1.00 1.00 H new ATOM 1323 N SER A 81 7.911 -8.931 2.541 1.00 1.00 N ATOM 1324 CA SER A 81 6.571 -8.916 1.884 1.00 1.00 C ATOM 1325 C SER A 81 5.838 -10.229 2.172 1.00 1.00 C ATOM 1326 O SER A 81 6.443 -11.239 2.470 1.00 1.00 O ATOM 1327 CB SER A 81 6.752 -8.755 0.374 1.00 1.00 C ATOM 1328 OG SER A 81 5.531 -8.312 -0.201 1.00 1.00 O ATOM 0 H SER A 81 8.421 -9.811 2.466 1.00 1.00 H new ATOM 0 HA SER A 81 5.985 -8.085 2.276 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.546 -8.038 0.166 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.054 -9.703 -0.071 1.00 1.00 H new ATOM 0 HG SER A 81 4.882 -8.130 0.510 1.00 1.00 H new ATOM 1334 N SER A 82 4.535 -10.218 2.080 1.00 1.00 N ATOM 1335 CA SER A 82 3.756 -11.461 2.342 1.00 1.00 C ATOM 1336 C SER A 82 2.353 -11.304 1.768 1.00 1.00 C ATOM 1337 O SER A 82 1.923 -10.217 1.437 1.00 1.00 O ATOM 1338 CB SER A 82 3.672 -11.708 3.849 1.00 1.00 C ATOM 1339 OG SER A 82 3.320 -10.497 4.504 1.00 1.00 O ATOM 0 H SER A 82 3.977 -9.400 1.834 1.00 1.00 H new ATOM 0 HA SER A 82 4.251 -12.309 1.869 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.931 -12.479 4.062 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.629 -12.073 4.223 1.00 1.00 H new ATOM 0 HG SER A 82 3.264 -10.652 5.470 1.00 1.00 H new ATOM 1345 N THR A 83 1.642 -12.389 1.628 1.00 1.00 N ATOM 1346 CA THR A 83 0.280 -12.324 1.055 1.00 1.00 C ATOM 1347 C THR A 83 -0.762 -12.449 2.169 1.00 1.00 C ATOM 1348 O THR A 83 -0.826 -13.442 2.867 1.00 1.00 O ATOM 1349 CB THR A 83 0.140 -13.480 0.070 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.122 -14.465 0.362 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.349 -12.963 -1.353 1.00 1.00 C ATOM 0 H THR A 83 1.955 -13.324 1.890 1.00 1.00 H new ATOM 0 HA THR A 83 0.120 -11.372 0.549 1.00 1.00 H new ATOM 0 HB THR A 83 -0.855 -13.916 0.156 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.035 -15.211 -0.268 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.249 -13.788 -2.058 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.398 -12.202 -1.577 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.345 -12.530 -1.440 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.585 -11.449 2.335 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.627 -11.513 3.400 1.00 1.00 C ATOM 1361 C ASN A 84 -3.738 -10.505 3.092 1.00 1.00 C ATOM 1362 O ASN A 84 -3.520 -9.517 2.417 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.994 -11.176 4.752 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.079 -11.146 5.830 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.127 -11.739 5.671 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -2.870 -10.474 6.930 1.00 1.00 N ATOM 0 H ASN A 84 -1.581 -10.593 1.781 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.049 -12.517 3.435 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.235 -11.917 5.005 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.492 -10.210 4.700 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -3.587 -10.447 7.655 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -1.990 -9.976 7.064 1.00 1.00 H new ATOM 1373 N THR A 85 -4.929 -10.748 3.577 1.00 1.00 N ATOM 1374 CA THR A 85 -6.052 -9.809 3.317 1.00 1.00 C ATOM 1375 C THR A 85 -5.741 -8.468 3.992 1.00 1.00 C ATOM 1376 O THR A 85 -4.951 -8.399 4.912 1.00 1.00 O ATOM 1377 CB THR A 85 -7.339 -10.407 3.902 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.106 -11.766 4.248 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.462 -10.333 2.871 1.00 1.00 C ATOM 0 H THR A 85 -5.169 -11.561 4.144 1.00 1.00 H new ATOM 0 HA THR A 85 -6.181 -9.652 2.246 1.00 1.00 H new ATOM 0 HB THR A 85 -7.629 -9.843 4.788 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.131 -12.318 3.439 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.372 -10.759 3.293 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.640 -9.292 2.601 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.177 -10.895 1.982 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.338 -7.397 3.535 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.055 -6.074 4.145 1.00 1.00 C ATOM 1389 C ILE A 86 -7.335 -5.222 4.110 1.00 1.00 C ATOM 1390 O ILE A 86 -8.008 -5.128 3.097 1.00 1.00 O ATOM 1391 CB ILE A 86 -4.884 -5.408 3.368 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.349 -4.175 2.584 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.282 -6.409 2.376 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.614 -3.020 3.547 1.00 1.00 C ATOM 0 H ILE A 86 -7.008 -7.387 2.766 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.753 -6.175 5.188 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.143 -5.098 4.104 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -4.590 -3.887 1.857 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.254 -4.409 2.024 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.462 -5.937 1.835 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.907 -7.277 2.918 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.048 -6.726 1.669 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.944 -2.146 2.985 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.389 -3.309 4.257 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.698 -2.779 4.087 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.686 -4.616 5.219 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.919 -3.781 5.268 1.00 1.00 C ATOM 1408 C CYS A 87 -8.611 -2.392 4.717 1.00 1.00 C ATOM 1409 O CYS A 87 -7.626 -1.773 5.066 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.407 -3.678 6.720 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.638 -4.964 7.045 1.00 1.00 S ATOM 0 H CYS A 87 -7.166 -4.667 6.095 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.701 -4.239 4.662 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.566 -3.786 7.405 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.840 -2.694 6.899 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.447 -1.904 3.847 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.216 -0.556 3.252 1.00 1.00 C ATOM 1418 C ILE A 88 -10.570 0.138 3.083 1.00 1.00 C ATOM 1419 O ILE A 88 -11.586 -0.506 2.936 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.505 -0.709 1.890 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.105 0.250 0.854 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.660 -2.140 1.371 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.243 0.250 -0.413 1.00 1.00 C ATOM 0 H ILE A 88 -10.286 -2.382 3.519 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.582 0.046 3.902 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.450 -0.476 2.037 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.124 -0.053 0.612 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.161 1.257 1.267 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.154 -2.235 0.410 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.218 -2.836 2.084 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.718 -2.370 1.248 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.673 0.933 -1.146 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.232 0.574 -0.165 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.210 -0.756 -0.830 1.00 1.00 H new ATOM 1435 N THR A 89 -10.597 1.448 3.105 1.00 1.00 N ATOM 1436 CA THR A 89 -11.896 2.168 2.944 1.00 1.00 C ATOM 1437 C THR A 89 -11.923 2.867 1.580 1.00 1.00 C ATOM 1438 O THR A 89 -10.942 3.442 1.141 1.00 1.00 O ATOM 1439 CB THR A 89 -12.059 3.188 4.086 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.883 2.622 5.095 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.707 4.480 3.574 1.00 1.00 C ATOM 0 H THR A 89 -9.780 2.046 3.227 1.00 1.00 H new ATOM 0 HA THR A 89 -12.725 1.461 2.989 1.00 1.00 H new ATOM 0 HB THR A 89 -11.074 3.428 4.487 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.825 2.771 4.870 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.812 5.186 4.398 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.080 4.919 2.798 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.690 4.255 3.161 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.047 2.813 0.910 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.173 3.462 -0.430 1.00 1.00 C ATOM 1451 C CYS A 90 -14.337 4.456 -0.404 1.00 1.00 C ATOM 1452 O CYS A 90 -15.027 4.589 0.586 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.447 2.390 -1.490 1.00 1.00 C ATOM 1454 SG CYS A 90 -11.912 1.504 -1.865 1.00 1.00 S ATOM 0 H CYS A 90 -13.890 2.342 1.238 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.248 3.986 -0.670 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -14.203 1.692 -1.130 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.844 2.851 -2.395 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.557 5.157 -1.485 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.670 6.147 -1.533 1.00 1.00 C ATOM 1461 C VAL A 91 -16.368 6.058 -2.890 1.00 1.00 C ATOM 1462 O VAL A 91 -16.992 5.067 -3.213 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.095 7.550 -1.332 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -16.235 8.557 -1.154 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.212 7.552 -0.084 1.00 1.00 C ATOM 0 H VAL A 91 -14.009 5.085 -2.342 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.394 5.935 -0.746 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.504 7.831 -2.204 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -15.820 9.555 -1.011 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -16.868 8.551 -2.041 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -16.830 8.283 -0.282 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.798 8.549 0.067 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -14.808 7.272 0.784 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -13.399 6.837 -0.212 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.269 7.086 -3.681 1.00 1.00 N ATOM 1476 CA ASN A 92 -16.918 7.072 -5.021 1.00 1.00 C ATOM 1477 C ASN A 92 -16.179 6.084 -5.924 1.00 1.00 C ATOM 1478 O ASN A 92 -15.971 6.333 -7.093 1.00 1.00 O ATOM 1479 CB ASN A 92 -16.849 8.472 -5.634 1.00 1.00 C ATOM 1480 CG ASN A 92 -17.876 9.380 -4.957 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -18.947 9.607 -5.483 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -17.593 9.914 -3.799 1.00 1.00 N ATOM 0 H ASN A 92 -15.763 7.943 -3.456 1.00 1.00 H new ATOM 0 HA ASN A 92 -17.961 6.771 -4.922 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -15.847 8.884 -5.512 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.044 8.421 -6.705 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -18.271 10.521 -3.338 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -16.694 9.724 -3.356 1.00 1.00 H new ATOM 1489 N GLN A 93 -15.772 4.972 -5.375 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.033 3.950 -6.173 1.00 1.00 C ATOM 1491 C GLN A 93 -13.601 4.431 -6.397 1.00 1.00 C ATOM 1492 O GLN A 93 -13.107 4.456 -7.506 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.723 3.719 -7.528 1.00 1.00 C ATOM 1494 CG GLN A 93 -17.254 3.681 -7.349 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.891 4.892 -8.039 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -18.736 5.554 -7.469 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -17.519 5.209 -9.248 1.00 1.00 N ATOM 0 H GLN A 93 -15.921 4.725 -4.397 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.026 3.007 -5.626 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.451 4.514 -8.223 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -15.378 2.782 -7.965 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.655 2.759 -7.770 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -17.505 3.682 -6.288 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.810 4.653 -9.726 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -17.937 6.013 -9.716 1.00 1.00 H new ATOM 1506 N LEU A 94 -12.935 4.810 -5.341 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.531 5.299 -5.461 1.00 1.00 C ATOM 1508 C LEU A 94 -10.775 4.968 -4.163 1.00 1.00 C ATOM 1509 O LEU A 94 -10.912 5.662 -3.177 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.551 6.824 -5.663 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.534 7.166 -7.162 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.184 8.533 -7.385 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.090 7.205 -7.667 1.00 1.00 C ATOM 0 H LEU A 94 -13.307 4.802 -4.391 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.037 4.821 -6.307 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.441 7.247 -5.197 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.689 7.274 -5.171 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.090 6.404 -7.708 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.171 8.773 -8.448 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.215 8.508 -7.032 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -11.630 9.293 -6.834 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.083 7.448 -8.730 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.533 7.964 -7.118 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.625 6.231 -7.514 1.00 1.00 H new ATOM 1525 N PRO A 95 -9.984 3.923 -4.158 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.197 3.518 -2.951 1.00 1.00 C ATOM 1527 C PRO A 95 -8.378 4.680 -2.378 1.00 1.00 C ATOM 1528 O PRO A 95 -7.541 5.242 -3.056 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.267 2.419 -3.480 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.966 1.855 -4.672 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.754 3.010 -5.291 1.00 1.00 C ATOM 0 HA PRO A 95 -9.842 3.191 -2.136 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.292 2.825 -3.751 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -8.095 1.652 -2.725 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -8.251 1.446 -5.385 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -9.631 1.040 -4.384 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.192 3.496 -6.089 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.693 2.667 -5.726 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.608 5.053 -1.140 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.830 6.186 -0.558 1.00 1.00 C ATOM 1541 C ILE A 96 -7.440 5.904 0.901 1.00 1.00 C ATOM 1542 O ILE A 96 -6.588 6.580 1.442 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.667 7.476 -0.611 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.014 7.254 0.109 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.929 7.875 -2.073 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.905 7.620 1.594 1.00 1.00 C ATOM 0 H ILE A 96 -9.293 4.626 -0.517 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.920 6.303 -1.147 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.116 8.274 -0.114 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.788 7.859 -0.363 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.318 6.212 0.008 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.522 8.789 -2.100 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -7.979 8.044 -2.580 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.472 7.075 -2.577 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.866 7.455 2.081 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.147 6.996 2.068 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.624 8.669 1.691 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.050 4.946 1.566 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.676 4.702 2.994 1.00 1.00 C ATOM 1560 C HIS A 97 -7.142 3.277 3.182 1.00 1.00 C ATOM 1561 O HIS A 97 -7.684 2.320 2.671 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.916 4.904 3.872 1.00 1.00 C ATOM 1563 CG HIS A 97 -9.020 6.344 4.308 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.928 7.204 4.317 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -10.085 7.088 4.757 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.359 8.401 4.756 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -9.662 8.382 5.036 1.00 1.00 N ATOM 0 H HIS A 97 -8.775 4.336 1.189 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.891 5.402 3.280 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.811 4.619 3.320 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.860 4.255 4.746 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -11.095 6.723 4.875 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.727 9.270 4.868 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -10.230 9.155 5.382 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.083 3.147 3.937 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.487 1.805 4.207 1.00 1.00 C ATOM 1578 C PHE A 98 -5.756 1.460 5.673 1.00 1.00 C ATOM 1579 O PHE A 98 -5.089 1.945 6.566 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.975 1.868 3.964 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.381 0.479 4.002 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.175 -0.165 5.228 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -3.023 -0.160 2.809 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.615 -1.448 5.260 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -2.462 -1.441 2.841 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.258 -2.086 4.067 1.00 1.00 C ATOM 0 H PHE A 98 -5.599 3.925 4.384 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.922 1.050 3.553 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.774 2.331 2.998 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.503 2.494 4.722 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.448 0.328 6.149 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -3.180 0.337 1.863 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.459 -1.945 6.206 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -2.186 -1.933 1.920 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.825 -3.075 4.092 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.738 0.646 5.930 1.00 1.00 N ATOM 1597 CA ALA A 99 -7.062 0.294 7.341 1.00 1.00 C ATOM 1598 C ALA A 99 -5.837 -0.328 8.021 1.00 1.00 C ATOM 1599 O ALA A 99 -5.202 0.288 8.854 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.224 -0.703 7.356 1.00 1.00 C ATOM 0 H ALA A 99 -7.331 0.208 5.225 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.345 1.196 7.884 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.466 -0.965 8.386 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -9.096 -0.253 6.882 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.939 -1.603 6.811 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.502 -1.541 7.678 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.320 -2.193 8.315 1.00 1.00 C ATOM 1608 C GLY A 100 -4.013 -3.509 7.598 1.00 1.00 C ATOM 1609 O GLY A 100 -4.510 -3.772 6.523 1.00 1.00 O ATOM 0 H GLY A 100 -5.993 -2.108 6.987 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.456 -1.530 8.266 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.519 -2.380 9.370 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.194 -4.338 8.189 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.851 -5.640 7.544 1.00 1.00 C ATOM 1615 C VAL A 101 -3.778 -6.734 8.079 1.00 1.00 C ATOM 1616 O VAL A 101 -4.051 -6.808 9.261 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.400 -6.000 7.867 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.038 -7.321 7.188 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.475 -4.894 7.355 1.00 1.00 C ATOM 0 H VAL A 101 -2.747 -4.170 9.091 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.974 -5.555 6.464 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.283 -6.103 8.946 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.004 -7.577 7.418 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.697 -8.110 7.552 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.155 -7.219 6.109 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.559 -5.149 7.585 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.593 -4.792 6.276 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.732 -3.952 7.839 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.263 -7.587 7.218 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.172 -8.677 7.676 1.00 1.00 C ATOM 1631 C GLY A 102 -6.607 -8.150 7.748 1.00 1.00 C ATOM 1632 O GLY A 102 -6.961 -7.195 7.087 1.00 1.00 O ATOM 0 H GLY A 102 -4.069 -7.576 6.217 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.118 -9.522 6.990 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.857 -9.040 8.654 1.00 1.00 H new ATOM 1636 N SER A 103 -7.436 -8.768 8.545 1.00 1.00 N ATOM 1637 CA SER A 103 -8.848 -8.304 8.659 1.00 1.00 C ATOM 1638 C SER A 103 -8.951 -7.236 9.750 1.00 1.00 C ATOM 1639 O SER A 103 -8.263 -7.288 10.750 1.00 1.00 O ATOM 1640 CB SER A 103 -9.745 -9.488 9.022 1.00 1.00 C ATOM 1641 OG SER A 103 -9.423 -9.939 10.331 1.00 1.00 O ATOM 0 H SER A 103 -7.196 -9.574 9.122 1.00 1.00 H new ATOM 0 HA SER A 103 -9.168 -7.881 7.706 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.793 -9.193 8.975 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.609 -10.296 8.303 1.00 1.00 H new ATOM 0 HG SER A 103 -9.998 -10.697 10.567 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.806 -6.267 9.565 1.00 1.00 N ATOM 1648 CA CYS A 104 -9.953 -5.196 10.591 1.00 1.00 C ATOM 1649 C CYS A 104 -10.978 -5.640 11.642 1.00 1.00 C ATOM 1650 O CYS A 104 -11.880 -6.401 11.351 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.437 -3.909 9.915 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.677 -4.315 8.659 1.00 1.00 S ATOM 0 H CYS A 104 -10.409 -6.171 8.748 1.00 1.00 H new ATOM 0 HA CYS A 104 -8.992 -5.014 11.073 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -10.863 -3.234 10.657 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -9.596 -3.388 9.456 1.00 1.00 H new ATOM 1657 N PRO A 105 -10.844 -5.168 12.856 1.00 1.00 N ATOM 1658 CA PRO A 105 -11.779 -5.525 13.964 1.00 1.00 C ATOM 1659 C PRO A 105 -13.173 -4.922 13.760 1.00 1.00 C ATOM 1660 O PRO A 105 -13.302 -3.717 13.906 1.00 1.00 O ATOM 1661 CB PRO A 105 -11.111 -4.935 15.213 1.00 1.00 C ATOM 1662 CG PRO A 105 -10.246 -3.827 14.706 1.00 1.00 C ATOM 1663 CD PRO A 105 -9.791 -4.243 13.308 1.00 1.00 C ATOM 1664 OXT PRO A 105 -14.085 -5.674 13.461 1.00 1.00 O ATOM 0 HA PRO A 105 -11.940 -6.601 14.029 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -11.854 -4.564 15.919 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -10.521 -5.687 15.737 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -10.798 -2.888 14.672 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -9.390 -3.670 15.363 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -9.702 -3.383 12.644 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -8.816 -4.729 13.333 1.00 1.00 H new TER 1672 PRO A 105