USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=24 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 23 MET CE :methyl -147:sc= -4.22 (180deg=-1.57) USER MOD Set 1.2: A 34 ASN : amide:sc= -3.88 K(o=-8.1,f=-22!) USER MOD Set 2.1: A 5 THR OG1 : rot 140:sc= 0.225 USER MOD Set 2.2: A 9 LYS NZ :NH3+ -176:sc= 0.685 (180deg=0.00453) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.11 (180deg=-0.11) USER MOD Single : A 7 GLN : amide:sc= -5.02! C(o=-5!,f=-4.9!) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0133) USER MOD Single : A 10 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-0.63) USER MOD Single : A 12 THR OG1 : rot 60:sc= -2.46! USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0208 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -2.69! (180deg=-2.79) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -5.22! (180deg=-6.16!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= -2.26 (180deg=-4.74!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= -1.42 (180deg=-4.08!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.61! C(o=-1.6!,f=-2!) USER MOD Single : A 54 ASN : amide:sc= -6.3! K(o=-6.3!,f=-1.3) USER MOD Single : A 55 THR OG1 : rot -94:sc= -0.208 USER MOD Single : A 59 SER OG : rot 124:sc= 1.4 USER MOD Single : A 67 GLN : amide:sc= -5.55! C(o=-5.6!,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 77 TYR OH : rot -88:sc= 0.276! USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.214) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 84 ASN : amide:sc= -5.48! C(o=-5.5!,f=-7.5!) USER MOD Single : A 85 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.3) USER MOD Single : A 93 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.046) USER MOD Single : A 97 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.042) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.367 9.974 1.702 1.00 1.00 N HETATM 2 CA PCA A 1 -7.027 11.267 1.507 1.00 1.00 C HETATM 3 CB PCA A 1 -6.155 12.267 2.181 1.00 1.00 C HETATM 4 CG PCA A 1 -4.979 11.544 2.384 1.00 1.00 C HETATM 5 CD PCA A 1 -5.119 10.116 2.309 1.00 1.00 C HETATM 6 OE PCA A 1 -4.361 9.148 2.671 1.00 1.00 O HETATM 7 C PCA A 1 -7.187 11.586 0.029 1.00 1.00 C HETATM 8 O PCA A 1 -7.638 12.654 -0.331 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.271 9.783 2.720 1.00 1.00 H new HETATM 0 HA PCA A 1 -8.034 11.268 1.924 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.990 13.147 1.560 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.586 12.616 3.120 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.244 11.861 1.644 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.577 11.803 3.363 1.00 1.00 H new ATOM 15 N ASP A 2 -6.822 10.673 -0.829 1.00 1.00 N ATOM 16 CA ASP A 2 -6.951 10.918 -2.293 1.00 1.00 C ATOM 17 C ASP A 2 -6.446 9.682 -3.040 1.00 1.00 C ATOM 18 O ASP A 2 -5.382 9.170 -2.759 1.00 1.00 O ATOM 19 CB ASP A 2 -6.112 12.147 -2.683 1.00 1.00 C ATOM 20 CG ASP A 2 -7.032 13.300 -3.096 1.00 1.00 C ATOM 21 OD1 ASP A 2 -8.091 13.430 -2.504 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.661 14.034 -3.997 1.00 1.00 O ATOM 0 H ASP A 2 -6.438 9.762 -0.577 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.993 11.106 -2.554 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.487 12.452 -1.844 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.441 11.894 -3.504 1.00 1.00 H new ATOM 27 N TRP A 3 -7.204 9.188 -3.979 1.00 1.00 N ATOM 28 CA TRP A 3 -6.760 7.977 -4.723 1.00 1.00 C ATOM 29 C TRP A 3 -5.384 8.239 -5.338 1.00 1.00 C ATOM 30 O TRP A 3 -4.577 7.343 -5.479 1.00 1.00 O ATOM 31 CB TRP A 3 -7.786 7.645 -5.813 1.00 1.00 C ATOM 32 CG TRP A 3 -7.182 6.761 -6.864 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.347 6.936 -8.195 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.339 5.574 -6.710 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.660 5.943 -8.867 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.024 5.081 -8.000 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.820 4.883 -5.595 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.226 3.949 -8.177 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.019 3.746 -5.773 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.722 3.280 -7.061 1.00 1.00 C ATOM 0 H TRP A 3 -8.107 9.568 -4.262 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.685 7.127 -4.044 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.649 7.150 -5.367 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.148 8.566 -6.270 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.922 7.724 -8.658 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.628 5.858 -9.883 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.041 5.232 -4.597 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.000 3.593 -9.171 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.628 3.225 -4.911 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.104 2.404 -7.190 1.00 1.00 H new ATOM 51 N GLU A 4 -5.104 9.462 -5.695 1.00 1.00 N ATOM 52 CA GLU A 4 -3.775 9.774 -6.289 1.00 1.00 C ATOM 53 C GLU A 4 -2.680 9.453 -5.272 1.00 1.00 C ATOM 54 O GLU A 4 -2.010 8.446 -5.368 1.00 1.00 O ATOM 55 CB GLU A 4 -3.712 11.259 -6.657 1.00 1.00 C ATOM 56 CG GLU A 4 -4.820 11.583 -7.662 1.00 1.00 C ATOM 57 CD GLU A 4 -4.838 13.089 -7.932 1.00 1.00 C ATOM 58 OE1 GLU A 4 -5.229 13.825 -7.042 1.00 1.00 O ATOM 59 OE2 GLU A 4 -4.460 13.480 -9.024 1.00 1.00 O ATOM 0 H GLU A 4 -5.737 10.257 -5.601 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.628 9.174 -7.187 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.827 11.871 -5.763 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.738 11.498 -7.084 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.654 11.038 -8.591 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.785 11.261 -7.272 1.00 1.00 H new ATOM 66 N THR A 5 -2.491 10.292 -4.293 1.00 1.00 N ATOM 67 CA THR A 5 -1.438 10.010 -3.280 1.00 1.00 C ATOM 68 C THR A 5 -1.609 8.583 -2.768 1.00 1.00 C ATOM 69 O THR A 5 -0.679 7.801 -2.759 1.00 1.00 O ATOM 70 CB THR A 5 -1.559 10.992 -2.116 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.629 10.637 -1.101 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.978 10.955 -1.543 1.00 1.00 C ATOM 0 H THR A 5 -3.016 11.155 -4.151 1.00 1.00 H new ATOM 0 HA THR A 5 -0.454 10.123 -3.736 1.00 1.00 H new ATOM 0 HB THR A 5 -1.346 11.999 -2.475 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.227 11.449 -0.727 1.00 1.00 H new ATOM 0 HG21 THR A 5 -3.054 11.658 -0.714 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.691 11.231 -2.320 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.201 9.949 -1.187 1.00 1.00 H new ATOM 80 N PHE A 6 -2.794 8.229 -2.353 1.00 1.00 N ATOM 81 CA PHE A 6 -3.016 6.847 -1.858 1.00 1.00 C ATOM 82 C PHE A 6 -2.441 5.860 -2.874 1.00 1.00 C ATOM 83 O PHE A 6 -2.113 4.738 -2.551 1.00 1.00 O ATOM 84 CB PHE A 6 -4.515 6.599 -1.689 1.00 1.00 C ATOM 85 CG PHE A 6 -4.733 5.349 -0.871 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.503 5.369 0.510 1.00 1.00 C ATOM 87 CD2 PHE A 6 -5.162 4.170 -1.492 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.704 4.210 1.268 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.362 3.012 -0.733 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.133 3.031 0.646 1.00 1.00 C ATOM 0 H PHE A 6 -3.613 8.836 -2.336 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.523 6.714 -0.895 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.982 7.453 -1.198 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.989 6.494 -2.665 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.171 6.278 0.990 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.339 4.154 -2.557 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.528 4.225 2.333 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.693 2.103 -1.213 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.287 2.137 1.231 1.00 1.00 H new ATOM 100 N GLN A 7 -2.304 6.275 -4.104 1.00 1.00 N ATOM 101 CA GLN A 7 -1.738 5.364 -5.134 1.00 1.00 C ATOM 102 C GLN A 7 -0.221 5.543 -5.176 1.00 1.00 C ATOM 103 O GLN A 7 0.502 4.700 -5.668 1.00 1.00 O ATOM 104 CB GLN A 7 -2.330 5.703 -6.508 1.00 1.00 C ATOM 105 CG GLN A 7 -1.791 4.730 -7.562 1.00 1.00 C ATOM 106 CD GLN A 7 -0.412 5.196 -8.039 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.499 4.403 -8.170 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.221 6.459 -8.308 1.00 1.00 N ATOM 0 H GLN A 7 -2.560 7.204 -4.438 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.984 4.332 -4.884 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.418 5.645 -6.469 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.075 6.727 -6.781 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.721 3.726 -7.142 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.479 4.675 -8.406 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.986 7.125 -8.198 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.693 6.780 -8.628 1.00 1.00 H new ATOM 117 N LYS A 8 0.266 6.649 -4.679 1.00 1.00 N ATOM 118 CA LYS A 8 1.736 6.899 -4.713 1.00 1.00 C ATOM 119 C LYS A 8 2.418 6.360 -3.448 1.00 1.00 C ATOM 120 O LYS A 8 3.408 5.658 -3.523 1.00 1.00 O ATOM 121 CB LYS A 8 1.980 8.407 -4.815 1.00 1.00 C ATOM 122 CG LYS A 8 1.140 8.995 -5.960 1.00 1.00 C ATOM 123 CD LYS A 8 1.910 8.884 -7.284 1.00 1.00 C ATOM 124 CE LYS A 8 2.821 10.102 -7.458 1.00 1.00 C ATOM 125 NZ LYS A 8 2.019 11.253 -7.958 1.00 1.00 N ATOM 0 H LYS A 8 -0.290 7.389 -4.251 1.00 1.00 H new ATOM 0 HA LYS A 8 2.158 6.384 -5.576 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.718 8.891 -3.874 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.038 8.602 -4.991 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.191 8.465 -6.036 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.906 10.039 -5.752 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.504 7.970 -7.294 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.211 8.819 -8.118 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.291 10.357 -6.508 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.624 9.872 -8.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 2.657 12.025 -8.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.457 10.954 -8.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.382 11.585 -7.206 1.00 1.00 H new ATOM 139 N LYS A 9 1.928 6.705 -2.288 1.00 1.00 N ATOM 140 CA LYS A 9 2.586 6.236 -1.031 1.00 1.00 C ATOM 141 C LYS A 9 2.101 4.836 -0.626 1.00 1.00 C ATOM 142 O LYS A 9 2.895 3.954 -0.374 1.00 1.00 O ATOM 143 CB LYS A 9 2.284 7.224 0.101 1.00 1.00 C ATOM 144 CG LYS A 9 0.770 7.356 0.292 1.00 1.00 C ATOM 145 CD LYS A 9 0.463 8.657 1.041 1.00 1.00 C ATOM 146 CE LYS A 9 -1.036 8.737 1.345 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.414 10.155 1.600 1.00 1.00 N ATOM 0 H LYS A 9 1.103 7.290 -2.155 1.00 1.00 H new ATOM 0 HA LYS A 9 3.659 6.183 -1.212 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.747 6.882 1.027 1.00 1.00 H new ATOM 0 HB3 LYS A 9 2.716 8.198 -0.130 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.269 7.354 -0.676 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.387 6.502 0.851 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.034 8.697 1.968 1.00 1.00 H new ATOM 0 HD3 LYS A 9 0.768 9.514 0.441 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.610 8.341 0.507 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.275 8.123 2.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.416 10.203 1.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.827 10.538 2.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.263 10.715 0.737 1.00 1.00 H new ATOM 161 N HIS A 10 0.818 4.624 -0.530 1.00 1.00 N ATOM 162 CA HIS A 10 0.321 3.279 -0.103 1.00 1.00 C ATOM 163 C HIS A 10 0.527 2.239 -1.207 1.00 1.00 C ATOM 164 O HIS A 10 0.420 1.062 -0.958 1.00 1.00 O ATOM 165 CB HIS A 10 -1.166 3.365 0.249 1.00 1.00 C ATOM 166 CG HIS A 10 -1.328 4.032 1.587 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.142 3.349 2.781 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.656 5.318 1.938 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.356 4.221 3.784 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.673 5.431 3.322 1.00 1.00 N ATOM 0 H HIS A 10 0.094 5.316 -0.726 1.00 1.00 H new ATOM 0 HA HIS A 10 0.890 2.968 0.773 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.700 3.928 -0.517 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.603 2.367 0.273 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.868 6.118 1.245 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.280 3.972 4.832 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.884 6.265 3.870 1.00 1.00 H new ATOM 179 N LEU A 11 0.817 2.647 -2.416 1.00 1.00 N ATOM 180 CA LEU A 11 1.020 1.642 -3.513 1.00 1.00 C ATOM 181 C LEU A 11 2.373 1.869 -4.186 1.00 1.00 C ATOM 182 O LEU A 11 2.888 2.968 -4.216 1.00 1.00 O ATOM 183 CB LEU A 11 -0.087 1.803 -4.562 1.00 1.00 C ATOM 184 CG LEU A 11 -1.257 0.872 -4.239 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.895 1.273 -2.904 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.297 0.970 -5.353 1.00 1.00 C ATOM 0 H LEU A 11 0.922 3.623 -2.694 1.00 1.00 H new ATOM 0 HA LEU A 11 0.989 0.640 -3.085 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.430 2.837 -4.584 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.305 1.576 -5.553 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.893 -0.152 -4.163 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.727 0.604 -2.683 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.152 1.202 -2.110 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.261 2.298 -2.969 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.134 0.309 -5.129 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.656 1.997 -5.427 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.845 0.675 -6.300 1.00 1.00 H new ATOM 198 N THR A 12 2.938 0.831 -4.746 1.00 1.00 N ATOM 199 CA THR A 12 4.250 0.978 -5.445 1.00 1.00 C ATOM 200 C THR A 12 4.163 0.305 -6.816 1.00 1.00 C ATOM 201 O THR A 12 3.086 0.036 -7.311 1.00 1.00 O ATOM 202 CB THR A 12 5.368 0.336 -4.615 1.00 1.00 C ATOM 203 OG1 THR A 12 6.548 0.275 -5.401 1.00 1.00 O ATOM 204 CG2 THR A 12 4.969 -1.079 -4.178 1.00 1.00 C ATOM 0 H THR A 12 2.548 -0.112 -4.750 1.00 1.00 H new ATOM 0 HA THR A 12 4.478 2.037 -5.570 1.00 1.00 H new ATOM 0 HB THR A 12 5.542 0.938 -3.723 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.811 1.181 -5.668 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.775 -1.519 -3.590 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.063 -1.031 -3.574 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.785 -1.694 -5.059 1.00 1.00 H new ATOM 212 N ASP A 13 5.281 0.046 -7.446 1.00 1.00 N ATOM 213 CA ASP A 13 5.246 -0.590 -8.799 1.00 1.00 C ATOM 214 C ASP A 13 5.989 -1.930 -8.791 1.00 1.00 C ATOM 215 O ASP A 13 6.326 -2.459 -9.832 1.00 1.00 O ATOM 216 CB ASP A 13 5.914 0.347 -9.810 1.00 1.00 C ATOM 217 CG ASP A 13 5.054 1.599 -9.989 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.848 1.454 -10.106 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.616 2.682 -10.009 1.00 1.00 O ATOM 0 H ASP A 13 6.213 0.246 -7.084 1.00 1.00 H new ATOM 0 HA ASP A 13 4.207 -0.769 -9.074 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.910 0.623 -9.463 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.039 -0.161 -10.766 1.00 1.00 H new ATOM 224 N THR A 14 6.251 -2.497 -7.643 1.00 1.00 N ATOM 225 CA THR A 14 6.971 -3.804 -7.628 1.00 1.00 C ATOM 226 C THR A 14 6.764 -4.506 -6.284 1.00 1.00 C ATOM 227 O THR A 14 6.491 -3.881 -5.279 1.00 1.00 O ATOM 228 CB THR A 14 8.465 -3.564 -7.850 1.00 1.00 C ATOM 229 OG1 THR A 14 9.141 -4.813 -7.908 1.00 1.00 O ATOM 230 CG2 THR A 14 9.024 -2.733 -6.695 1.00 1.00 C ATOM 0 H THR A 14 6.002 -2.119 -6.729 1.00 1.00 H new ATOM 0 HA THR A 14 6.576 -4.436 -8.424 1.00 1.00 H new ATOM 0 HB THR A 14 8.613 -3.028 -8.787 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.098 -4.660 -8.052 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.089 -2.561 -6.852 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.505 -1.776 -6.651 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.877 -3.269 -5.757 1.00 1.00 H new ATOM 238 N LYS A 15 6.899 -5.805 -6.261 1.00 1.00 N ATOM 239 CA LYS A 15 6.720 -6.552 -4.986 1.00 1.00 C ATOM 240 C LYS A 15 7.942 -6.320 -4.095 1.00 1.00 C ATOM 241 O LYS A 15 7.877 -6.450 -2.890 1.00 1.00 O ATOM 242 CB LYS A 15 6.578 -8.047 -5.283 1.00 1.00 C ATOM 243 CG LYS A 15 7.888 -8.580 -5.867 1.00 1.00 C ATOM 244 CD LYS A 15 7.647 -9.952 -6.500 1.00 1.00 C ATOM 245 CE LYS A 15 7.249 -10.957 -5.415 1.00 1.00 C ATOM 246 NZ LYS A 15 7.397 -12.342 -5.945 1.00 1.00 N ATOM 0 H LYS A 15 7.126 -6.380 -7.072 1.00 1.00 H new ATOM 0 HA LYS A 15 5.822 -6.201 -4.477 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.328 -8.588 -4.370 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.761 -8.213 -5.985 1.00 1.00 H new ATOM 0 HG2 LYS A 15 8.274 -7.886 -6.614 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.642 -8.657 -5.084 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.861 -9.883 -7.252 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.548 -10.291 -7.011 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.876 -10.824 -4.533 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.219 -10.783 -5.103 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.127 -13.026 -5.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.781 -12.464 -6.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.386 -12.504 -6.222 1.00 1.00 H new ATOM 260 N LYS A 16 9.055 -5.978 -4.686 1.00 1.00 N ATOM 261 CA LYS A 16 10.293 -5.728 -3.894 1.00 1.00 C ATOM 262 C LYS A 16 10.699 -4.262 -4.064 1.00 1.00 C ATOM 263 O LYS A 16 11.708 -3.952 -4.666 1.00 1.00 O ATOM 264 CB LYS A 16 11.411 -6.636 -4.416 1.00 1.00 C ATOM 265 CG LYS A 16 11.202 -6.888 -5.916 1.00 1.00 C ATOM 266 CD LYS A 16 12.542 -7.211 -6.576 1.00 1.00 C ATOM 267 CE LYS A 16 12.301 -7.892 -7.925 1.00 1.00 C ATOM 268 NZ LYS A 16 13.586 -7.975 -8.676 1.00 1.00 N ATOM 0 H LYS A 16 9.160 -5.860 -5.694 1.00 1.00 H new ATOM 0 HA LYS A 16 10.116 -5.940 -2.839 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.382 -6.171 -4.246 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.411 -7.581 -3.873 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.505 -7.713 -6.062 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.758 -6.009 -6.384 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.119 -6.297 -6.717 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.130 -7.862 -5.929 1.00 1.00 H new ATOM 0 HE2 LYS A 16 11.891 -8.891 -7.772 1.00 1.00 H new ATOM 0 HE3 LYS A 16 11.566 -7.331 -8.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 13.423 -8.438 -9.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.959 -7.017 -8.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 14.274 -8.528 -8.127 1.00 1.00 H new ATOM 282 N VAL A 17 9.915 -3.354 -3.549 1.00 1.00 N ATOM 283 CA VAL A 17 10.253 -1.910 -3.696 1.00 1.00 C ATOM 284 C VAL A 17 11.677 -1.659 -3.240 1.00 1.00 C ATOM 285 O VAL A 17 12.307 -2.494 -2.622 1.00 1.00 O ATOM 286 CB VAL A 17 9.323 -1.058 -2.837 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.885 -1.233 -3.309 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.441 -1.485 -1.371 1.00 1.00 C ATOM 0 H VAL A 17 9.057 -3.549 -3.034 1.00 1.00 H new ATOM 0 HA VAL A 17 10.141 -1.642 -4.747 1.00 1.00 H new ATOM 0 HB VAL A 17 9.606 -0.010 -2.930 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.223 -0.623 -2.694 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.803 -0.920 -4.350 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.598 -2.281 -3.222 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.776 -0.875 -0.760 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.162 -2.534 -1.274 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.469 -1.350 -1.034 1.00 1.00 H new ATOM 298 N LYS A 18 12.177 -0.493 -3.523 1.00 1.00 N ATOM 299 CA LYS A 18 13.552 -0.149 -3.090 1.00 1.00 C ATOM 300 C LYS A 18 13.446 0.678 -1.815 1.00 1.00 C ATOM 301 O LYS A 18 13.799 1.835 -1.781 1.00 1.00 O ATOM 302 CB LYS A 18 14.265 0.657 -4.184 1.00 1.00 C ATOM 303 CG LYS A 18 13.404 1.862 -4.606 1.00 1.00 C ATOM 304 CD LYS A 18 12.474 1.469 -5.761 1.00 1.00 C ATOM 305 CE LYS A 18 13.166 1.734 -7.102 1.00 1.00 C ATOM 306 NZ LYS A 18 14.605 1.363 -7.005 1.00 1.00 N ATOM 0 H LYS A 18 11.689 0.239 -4.038 1.00 1.00 H new ATOM 0 HA LYS A 18 14.130 -1.055 -2.908 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.232 1.002 -3.819 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.459 0.020 -5.047 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.815 2.212 -3.758 1.00 1.00 H new ATOM 0 HG3 LYS A 18 14.046 2.688 -4.911 1.00 1.00 H new ATOM 0 HD2 LYS A 18 12.207 0.415 -5.682 1.00 1.00 H new ATOM 0 HD3 LYS A 18 11.546 2.038 -5.702 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.684 1.157 -7.891 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.069 2.786 -7.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 15.065 1.512 -7.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 15.069 1.955 -6.287 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 14.688 0.362 -6.734 1.00 1.00 H new ATOM 320 N CYS A 19 12.931 0.084 -0.773 1.00 1.00 N ATOM 321 CA CYS A 19 12.759 0.812 0.516 1.00 1.00 C ATOM 322 C CYS A 19 13.856 1.870 0.696 1.00 1.00 C ATOM 323 O CYS A 19 13.630 2.924 1.260 1.00 1.00 O ATOM 324 CB CYS A 19 12.844 -0.187 1.667 1.00 1.00 C ATOM 325 SG CYS A 19 11.395 -1.268 1.638 1.00 1.00 S ATOM 0 H CYS A 19 12.618 -0.887 -0.760 1.00 1.00 H new ATOM 0 HA CYS A 19 11.789 1.309 0.509 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.755 -0.780 1.581 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.897 0.342 2.618 1.00 1.00 H new ATOM 330 N ASP A 20 15.043 1.596 0.220 1.00 1.00 N ATOM 331 CA ASP A 20 16.152 2.578 0.368 1.00 1.00 C ATOM 332 C ASP A 20 15.701 3.929 -0.178 1.00 1.00 C ATOM 333 O ASP A 20 15.934 4.962 0.417 1.00 1.00 O ATOM 334 CB ASP A 20 17.375 2.089 -0.412 1.00 1.00 C ATOM 335 CG ASP A 20 18.451 3.176 -0.413 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.419 4.017 0.472 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.290 3.151 -1.298 1.00 1.00 O ATOM 0 H ASP A 20 15.290 0.733 -0.265 1.00 1.00 H new ATOM 0 HA ASP A 20 16.415 2.680 1.421 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.766 1.177 0.039 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.092 1.843 -1.435 1.00 1.00 H new ATOM 342 N VAL A 21 15.041 3.924 -1.302 1.00 1.00 N ATOM 343 CA VAL A 21 14.553 5.197 -1.892 1.00 1.00 C ATOM 344 C VAL A 21 13.052 5.319 -1.611 1.00 1.00 C ATOM 345 O VAL A 21 12.541 6.396 -1.381 1.00 1.00 O ATOM 346 CB VAL A 21 14.801 5.183 -3.405 1.00 1.00 C ATOM 347 CG1 VAL A 21 15.105 6.603 -3.902 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.992 4.272 -3.720 1.00 1.00 C ATOM 0 H VAL A 21 14.818 3.086 -1.839 1.00 1.00 H new ATOM 0 HA VAL A 21 15.081 6.044 -1.454 1.00 1.00 H new ATOM 0 HB VAL A 21 13.908 4.810 -3.907 1.00 1.00 H new ATOM 0 HG11 VAL A 21 15.280 6.582 -4.978 1.00 1.00 H new ATOM 0 HG12 VAL A 21 14.258 7.254 -3.684 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.993 6.983 -3.397 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.168 4.262 -4.796 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.880 4.645 -3.210 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.776 3.260 -3.378 1.00 1.00 H new ATOM 358 N GLU A 22 12.346 4.218 -1.607 1.00 1.00 N ATOM 359 CA GLU A 22 10.884 4.277 -1.322 1.00 1.00 C ATOM 360 C GLU A 22 10.681 5.015 0.005 1.00 1.00 C ATOM 361 O GLU A 22 9.585 5.396 0.359 1.00 1.00 O ATOM 362 CB GLU A 22 10.317 2.849 -1.220 1.00 1.00 C ATOM 363 CG GLU A 22 9.110 2.684 -2.156 1.00 1.00 C ATOM 364 CD GLU A 22 8.124 3.838 -1.956 1.00 1.00 C ATOM 365 OE1 GLU A 22 7.961 4.264 -0.827 1.00 1.00 O ATOM 366 OE2 GLU A 22 7.549 4.276 -2.939 1.00 1.00 O ATOM 0 H GLU A 22 12.718 3.286 -1.788 1.00 1.00 H new ATOM 0 HA GLU A 22 10.365 4.802 -2.124 1.00 1.00 H new ATOM 0 HB2 GLU A 22 11.089 2.125 -1.481 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.019 2.642 -0.192 1.00 1.00 H new ATOM 0 HG2 GLU A 22 9.445 2.658 -3.193 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.614 1.734 -1.958 1.00 1.00 H new ATOM 373 N MET A 23 11.746 5.215 0.738 1.00 1.00 N ATOM 374 CA MET A 23 11.646 5.923 2.050 1.00 1.00 C ATOM 375 C MET A 23 12.589 7.128 2.054 1.00 1.00 C ATOM 376 O MET A 23 12.217 8.217 2.443 1.00 1.00 O ATOM 377 CB MET A 23 12.050 4.970 3.176 1.00 1.00 C ATOM 378 CG MET A 23 11.059 3.807 3.248 1.00 1.00 C ATOM 379 SD MET A 23 11.680 2.563 4.406 1.00 1.00 S ATOM 380 CE MET A 23 11.001 3.287 5.919 1.00 1.00 C ATOM 0 H MET A 23 12.687 4.916 0.482 1.00 1.00 H new ATOM 0 HA MET A 23 10.620 6.258 2.201 1.00 1.00 H new ATOM 0 HB2 MET A 23 13.057 4.592 3.001 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.070 5.503 4.127 1.00 1.00 H new ATOM 0 HG2 MET A 23 10.082 4.166 3.572 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.925 3.366 2.260 1.00 1.00 H new ATOM 0 HE1 MET A 23 11.675 3.087 6.752 1.00 1.00 H new ATOM 0 HE2 MET A 23 10.893 4.364 5.790 1.00 1.00 H new ATOM 0 HE3 MET A 23 10.026 2.847 6.127 1.00 1.00 H new ATOM 390 N ALA A 24 13.808 6.946 1.630 1.00 1.00 N ATOM 391 CA ALA A 24 14.763 8.088 1.618 1.00 1.00 C ATOM 392 C ALA A 24 14.290 9.127 0.598 1.00 1.00 C ATOM 393 O ALA A 24 14.931 10.136 0.381 1.00 1.00 O ATOM 394 CB ALA A 24 16.157 7.585 1.240 1.00 1.00 C ATOM 0 H ALA A 24 14.183 6.060 1.293 1.00 1.00 H new ATOM 0 HA ALA A 24 14.806 8.544 2.607 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.856 8.422 1.231 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.487 6.844 1.969 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.124 7.130 0.250 1.00 1.00 H new ATOM 400 N LYS A 25 13.170 8.884 -0.026 1.00 1.00 N ATOM 401 CA LYS A 25 12.645 9.852 -1.031 1.00 1.00 C ATOM 402 C LYS A 25 12.468 11.223 -0.369 1.00 1.00 C ATOM 403 O LYS A 25 13.046 11.504 0.662 1.00 1.00 O ATOM 404 CB LYS A 25 11.287 9.354 -1.551 1.00 1.00 C ATOM 405 CG LYS A 25 11.488 8.507 -2.821 1.00 1.00 C ATOM 406 CD LYS A 25 10.515 7.322 -2.827 1.00 1.00 C ATOM 407 CE LYS A 25 9.197 7.738 -3.482 1.00 1.00 C ATOM 408 NZ LYS A 25 8.670 8.954 -2.803 1.00 1.00 N ATOM 0 H LYS A 25 12.594 8.054 0.117 1.00 1.00 H new ATOM 0 HA LYS A 25 13.345 9.937 -1.862 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.790 8.761 -0.783 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.638 10.202 -1.769 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.328 9.122 -3.706 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.515 8.144 -2.866 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.952 6.483 -3.369 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.334 6.983 -1.807 1.00 1.00 H new ATOM 0 HE2 LYS A 25 9.352 7.938 -4.542 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.472 6.927 -3.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.659 9.064 -3.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.793 8.858 -1.775 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.189 9.791 -3.137 1.00 1.00 H new ATOM 422 N ALA A 26 11.669 12.077 -0.956 1.00 1.00 N ATOM 423 CA ALA A 26 11.446 13.430 -0.369 1.00 1.00 C ATOM 424 C ALA A 26 10.040 13.510 0.234 1.00 1.00 C ATOM 425 O ALA A 26 9.735 14.414 0.987 1.00 1.00 O ATOM 426 CB ALA A 26 11.584 14.486 -1.466 1.00 1.00 C ATOM 0 H ALA A 26 11.160 11.893 -1.820 1.00 1.00 H new ATOM 0 HA ALA A 26 12.185 13.609 0.412 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.422 15.476 -1.040 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.584 14.435 -1.896 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.845 14.300 -2.245 1.00 1.00 H new ATOM 432 N LEU A 27 9.174 12.580 -0.087 1.00 1.00 N ATOM 433 CA LEU A 27 7.793 12.629 0.480 1.00 1.00 C ATOM 434 C LEU A 27 7.740 11.805 1.769 1.00 1.00 C ATOM 435 O LEU A 27 6.750 11.794 2.470 1.00 1.00 O ATOM 436 CB LEU A 27 6.785 12.094 -0.556 1.00 1.00 C ATOM 437 CG LEU A 27 6.631 10.565 -0.442 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.636 10.200 0.679 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.112 10.010 -1.775 1.00 1.00 C ATOM 0 H LEU A 27 9.362 11.796 -0.712 1.00 1.00 H new ATOM 0 HA LEU A 27 7.528 13.660 0.715 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.817 12.572 -0.407 1.00 1.00 H new ATOM 0 HB3 LEU A 27 7.118 12.355 -1.560 1.00 1.00 H new ATOM 0 HG LEU A 27 7.603 10.132 -0.204 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.542 9.116 0.743 1.00 1.00 H new ATOM 0 HD12 LEU A 27 6.000 10.589 1.630 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.662 10.637 0.457 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.001 8.928 -1.700 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.146 10.459 -2.004 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.820 10.248 -2.569 1.00 1.00 H new ATOM 451 N PHE A 28 8.812 11.128 2.092 1.00 1.00 N ATOM 452 CA PHE A 28 8.843 10.309 3.343 1.00 1.00 C ATOM 453 C PHE A 28 9.898 10.881 4.295 1.00 1.00 C ATOM 454 O PHE A 28 9.681 10.987 5.484 1.00 1.00 O ATOM 455 CB PHE A 28 9.206 8.864 3.000 1.00 1.00 C ATOM 456 CG PHE A 28 8.021 8.177 2.361 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.901 7.852 3.135 1.00 1.00 C ATOM 458 CD2 PHE A 28 8.045 7.862 0.997 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.804 7.212 2.545 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.949 7.221 0.407 1.00 1.00 C ATOM 461 CZ PHE A 28 5.829 6.897 1.180 1.00 1.00 C ATOM 0 H PHE A 28 9.671 11.107 1.542 1.00 1.00 H new ATOM 0 HA PHE A 28 7.863 10.335 3.819 1.00 1.00 H new ATOM 0 HB2 PHE A 28 10.059 8.845 2.321 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.505 8.330 3.902 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.883 8.095 4.187 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.909 8.114 0.400 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.939 6.961 3.142 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.968 6.977 -0.645 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.983 6.404 0.724 1.00 1.00 H new ATOM 471 N ASP A 29 11.040 11.253 3.775 1.00 1.00 N ATOM 472 CA ASP A 29 12.118 11.825 4.638 1.00 1.00 C ATOM 473 C ASP A 29 12.866 10.695 5.355 1.00 1.00 C ATOM 474 O ASP A 29 13.119 10.762 6.542 1.00 1.00 O ATOM 475 CB ASP A 29 11.508 12.783 5.672 1.00 1.00 C ATOM 476 CG ASP A 29 12.510 13.891 6.005 1.00 1.00 C ATOM 477 OD1 ASP A 29 12.814 14.674 5.119 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.956 13.940 7.140 1.00 1.00 O ATOM 0 H ASP A 29 11.273 11.185 2.784 1.00 1.00 H new ATOM 0 HA ASP A 29 12.819 12.376 4.011 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.588 13.217 5.281 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.243 12.236 6.577 1.00 1.00 H new ATOM 483 N CYS A 30 13.227 9.662 4.643 1.00 1.00 N ATOM 484 CA CYS A 30 13.966 8.531 5.277 1.00 1.00 C ATOM 485 C CYS A 30 13.310 8.159 6.610 1.00 1.00 C ATOM 486 O CYS A 30 13.924 8.236 7.656 1.00 1.00 O ATOM 487 CB CYS A 30 15.417 8.950 5.523 1.00 1.00 C ATOM 488 SG CYS A 30 16.295 7.619 6.381 1.00 1.00 S ATOM 0 H CYS A 30 13.042 9.552 3.646 1.00 1.00 H new ATOM 0 HA CYS A 30 13.939 7.667 4.613 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.908 9.172 4.575 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.447 9.862 6.119 1.00 1.00 H new ATOM 493 N LYS A 31 12.070 7.754 6.582 1.00 1.00 N ATOM 494 CA LYS A 31 11.378 7.375 7.849 1.00 1.00 C ATOM 495 C LYS A 31 12.082 6.167 8.470 1.00 1.00 C ATOM 496 O LYS A 31 13.285 6.022 8.380 1.00 1.00 O ATOM 497 CB LYS A 31 9.920 7.004 7.549 1.00 1.00 C ATOM 498 CG LYS A 31 9.274 8.061 6.637 1.00 1.00 C ATOM 499 CD LYS A 31 8.545 9.117 7.476 1.00 1.00 C ATOM 500 CE LYS A 31 7.369 8.481 8.231 1.00 1.00 C ATOM 501 NZ LYS A 31 6.208 9.415 8.213 1.00 1.00 N ATOM 0 H LYS A 31 11.505 7.669 5.737 1.00 1.00 H new ATOM 0 HA LYS A 31 11.407 8.217 8.541 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.878 6.026 7.069 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.359 6.926 8.480 1.00 1.00 H new ATOM 0 HG2 LYS A 31 10.039 8.538 6.024 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.572 7.582 5.954 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.238 9.570 8.185 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.181 9.916 6.830 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.095 7.533 7.768 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.658 8.262 9.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.410 8.987 8.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.474 10.309 8.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.929 9.603 7.229 1.00 1.00 H new ATOM 515 N LYS A 32 11.335 5.294 9.094 1.00 1.00 N ATOM 516 CA LYS A 32 11.944 4.082 9.720 1.00 1.00 C ATOM 517 C LYS A 32 11.094 2.856 9.374 1.00 1.00 C ATOM 518 O LYS A 32 11.594 1.755 9.248 1.00 1.00 O ATOM 519 CB LYS A 32 11.994 4.257 11.240 1.00 1.00 C ATOM 520 CG LYS A 32 10.581 4.501 11.780 1.00 1.00 C ATOM 521 CD LYS A 32 10.632 4.655 13.303 1.00 1.00 C ATOM 522 CE LYS A 32 11.145 3.358 13.942 1.00 1.00 C ATOM 523 NZ LYS A 32 12.629 3.417 14.062 1.00 1.00 N ATOM 0 H LYS A 32 10.323 5.369 9.198 1.00 1.00 H new ATOM 0 HA LYS A 32 12.957 3.946 9.341 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.422 3.368 11.704 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.642 5.095 11.498 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.158 5.398 11.328 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.929 3.670 11.510 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.284 5.486 13.572 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.640 4.892 13.687 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.695 3.222 14.925 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.852 2.501 13.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.048 2.580 13.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 12.981 4.276 13.594 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 12.896 3.436 15.067 1.00 1.00 H new ATOM 537 N THR A 33 9.810 3.041 9.215 1.00 1.00 N ATOM 538 CA THR A 33 8.915 1.898 8.871 1.00 1.00 C ATOM 539 C THR A 33 7.945 2.347 7.777 1.00 1.00 C ATOM 540 O THR A 33 7.546 3.493 7.727 1.00 1.00 O ATOM 541 CB THR A 33 8.126 1.473 10.112 1.00 1.00 C ATOM 542 OG1 THR A 33 9.014 1.344 11.214 1.00 1.00 O ATOM 543 CG2 THR A 33 7.438 0.133 9.848 1.00 1.00 C ATOM 0 H THR A 33 9.340 3.941 9.309 1.00 1.00 H new ATOM 0 HA THR A 33 9.508 1.054 8.519 1.00 1.00 H new ATOM 0 HB THR A 33 7.372 2.226 10.339 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.510 1.073 12.010 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.877 -0.168 10.732 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.757 0.234 9.003 1.00 1.00 H new ATOM 0 HG23 THR A 33 8.189 -0.623 9.620 1.00 1.00 H new ATOM 551 N ASN A 34 7.569 1.465 6.893 1.00 1.00 N ATOM 552 CA ASN A 34 6.636 1.869 5.804 1.00 1.00 C ATOM 553 C ASN A 34 5.969 0.637 5.196 1.00 1.00 C ATOM 554 O ASN A 34 6.510 -0.451 5.209 1.00 1.00 O ATOM 555 CB ASN A 34 7.419 2.608 4.715 1.00 1.00 C ATOM 556 CG ASN A 34 7.541 4.090 5.080 1.00 1.00 C ATOM 557 OD1 ASN A 34 8.517 4.504 5.673 1.00 1.00 O ATOM 558 ND2 ASN A 34 6.582 4.911 4.751 1.00 1.00 N ATOM 0 H ASN A 34 7.865 0.489 6.877 1.00 1.00 H new ATOM 0 HA ASN A 34 5.868 2.522 6.219 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.410 2.168 4.605 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.914 2.501 3.755 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.652 5.900 4.992 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.762 4.564 4.253 1.00 1.00 H new ATOM 565 N THR A 35 4.792 0.809 4.655 1.00 1.00 N ATOM 566 CA THR A 35 4.069 -0.334 4.030 1.00 1.00 C ATOM 567 C THR A 35 3.457 0.127 2.705 1.00 1.00 C ATOM 568 O THR A 35 3.165 1.292 2.519 1.00 1.00 O ATOM 569 CB THR A 35 2.957 -0.810 4.968 1.00 1.00 C ATOM 570 OG1 THR A 35 3.527 -1.219 6.203 1.00 1.00 O ATOM 571 CG2 THR A 35 2.216 -1.986 4.330 1.00 1.00 C ATOM 0 H THR A 35 4.298 1.700 4.620 1.00 1.00 H new ATOM 0 HA THR A 35 4.763 -1.154 3.850 1.00 1.00 H new ATOM 0 HB THR A 35 2.254 0.005 5.143 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.817 -1.523 6.806 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.425 -2.324 4.999 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.780 -1.670 3.382 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.915 -2.804 4.153 1.00 1.00 H new ATOM 579 N PHE A 36 3.247 -0.776 1.789 1.00 1.00 N ATOM 580 CA PHE A 36 2.638 -0.385 0.481 1.00 1.00 C ATOM 581 C PHE A 36 1.910 -1.601 -0.090 1.00 1.00 C ATOM 582 O PHE A 36 1.950 -2.666 0.484 1.00 1.00 O ATOM 583 CB PHE A 36 3.720 0.074 -0.513 1.00 1.00 C ATOM 584 CG PHE A 36 4.964 0.518 0.220 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.758 -0.424 0.877 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.334 1.867 0.222 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.922 -0.022 1.536 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.496 2.272 0.885 1.00 1.00 C ATOM 589 CZ PHE A 36 7.291 1.327 1.541 1.00 1.00 C ATOM 0 H PHE A 36 3.469 -1.767 1.886 1.00 1.00 H new ATOM 0 HA PHE A 36 1.947 0.443 0.639 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.965 -0.741 -1.194 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.338 0.894 -1.121 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.472 -1.465 0.876 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.722 2.596 -0.289 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.537 -0.752 2.041 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.780 3.314 0.891 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.190 1.639 2.052 1.00 1.00 H new ATOM 599 N ILE A 37 1.240 -1.454 -1.205 1.00 1.00 N ATOM 600 CA ILE A 37 0.508 -2.610 -1.796 1.00 1.00 C ATOM 601 C ILE A 37 0.984 -2.845 -3.229 1.00 1.00 C ATOM 602 O ILE A 37 1.162 -1.914 -4.000 1.00 1.00 O ATOM 603 CB ILE A 37 -0.996 -2.312 -1.786 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.438 -1.929 -0.359 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.766 -3.553 -2.244 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.702 -1.060 -0.405 1.00 1.00 C ATOM 0 H ILE A 37 1.170 -0.582 -1.730 1.00 1.00 H new ATOM 0 HA ILE A 37 0.704 -3.507 -1.208 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.205 -1.484 -2.464 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.630 -2.830 0.223 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.636 -1.389 0.144 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.835 -3.341 -2.237 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.456 -3.821 -3.254 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.556 -4.382 -1.568 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -3.001 -0.798 0.610 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.498 -0.150 -0.969 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.507 -1.614 -0.889 1.00 1.00 H new ATOM 618 N TYR A 38 1.199 -4.086 -3.588 1.00 1.00 N ATOM 619 CA TYR A 38 1.665 -4.394 -4.973 1.00 1.00 C ATOM 620 C TYR A 38 0.458 -4.770 -5.835 1.00 1.00 C ATOM 621 O TYR A 38 0.001 -5.896 -5.821 1.00 1.00 O ATOM 622 CB TYR A 38 2.650 -5.566 -4.938 1.00 1.00 C ATOM 623 CG TYR A 38 3.007 -5.971 -6.351 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.619 -5.050 -7.209 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.724 -7.267 -6.801 1.00 1.00 C ATOM 626 CE1 TYR A 38 3.946 -5.424 -8.518 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.052 -7.640 -8.111 1.00 1.00 C ATOM 628 CZ TYR A 38 3.664 -6.719 -8.969 1.00 1.00 C ATOM 629 OH TYR A 38 3.986 -7.086 -10.259 1.00 1.00 O ATOM 0 H TYR A 38 1.072 -4.897 -2.983 1.00 1.00 H new ATOM 0 HA TYR A 38 2.162 -3.520 -5.393 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.550 -5.282 -4.392 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.208 -6.410 -4.408 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.839 -4.051 -6.862 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.253 -7.978 -6.138 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.416 -4.713 -9.181 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.833 -8.639 -8.459 1.00 1.00 H new ATOM 0 HH TYR A 38 3.724 -8.018 -10.409 1.00 1.00 H new ATOM 639 N ALA A 39 -0.062 -3.838 -6.586 1.00 1.00 N ATOM 640 CA ALA A 39 -1.239 -4.146 -7.449 1.00 1.00 C ATOM 641 C ALA A 39 -1.233 -3.222 -8.668 1.00 1.00 C ATOM 642 O ALA A 39 -0.733 -2.116 -8.617 1.00 1.00 O ATOM 643 CB ALA A 39 -2.527 -3.927 -6.651 1.00 1.00 C ATOM 0 H ALA A 39 0.276 -2.877 -6.640 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.186 -5.184 -7.779 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.388 -4.152 -7.281 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.532 -4.584 -5.781 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.579 -2.889 -6.322 1.00 1.00 H new ATOM 649 N LEU A 40 -1.783 -3.665 -9.766 1.00 1.00 N ATOM 650 CA LEU A 40 -1.804 -2.808 -10.984 1.00 1.00 C ATOM 651 C LEU A 40 -2.935 -1.769 -10.846 1.00 1.00 C ATOM 652 O LEU A 40 -3.973 -2.049 -10.282 1.00 1.00 O ATOM 653 CB LEU A 40 -1.977 -3.704 -12.228 1.00 1.00 C ATOM 654 CG LEU A 40 -3.450 -3.825 -12.636 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.798 -2.704 -13.618 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.679 -5.178 -13.320 1.00 1.00 C ATOM 0 H LEU A 40 -2.218 -4.582 -9.871 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.866 -2.264 -11.098 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.402 -3.291 -13.057 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.573 -4.695 -12.022 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.080 -3.748 -11.750 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.845 -2.788 -13.910 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.630 -1.738 -13.142 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.167 -2.787 -14.503 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.726 -5.266 -13.611 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.049 -5.249 -14.207 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.425 -5.982 -12.629 1.00 1.00 H new ATOM 668 N PRO A 41 -2.719 -0.568 -11.332 1.00 1.00 N ATOM 669 CA PRO A 41 -3.714 0.541 -11.236 1.00 1.00 C ATOM 670 C PRO A 41 -5.163 0.088 -11.448 1.00 1.00 C ATOM 671 O PRO A 41 -6.026 0.330 -10.627 1.00 1.00 O ATOM 672 CB PRO A 41 -3.304 1.491 -12.363 1.00 1.00 C ATOM 673 CG PRO A 41 -1.847 1.243 -12.608 1.00 1.00 C ATOM 674 CD PRO A 41 -1.498 -0.135 -12.028 1.00 1.00 C ATOM 0 HA PRO A 41 -3.702 0.984 -10.240 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -3.888 1.302 -13.264 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.480 2.529 -12.081 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.629 1.274 -13.676 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.244 2.019 -12.137 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.221 -0.837 -12.815 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -0.652 -0.074 -11.343 1.00 1.00 H new ATOM 682 N GLY A 42 -5.438 -0.546 -12.551 1.00 1.00 N ATOM 683 CA GLY A 42 -6.837 -0.992 -12.831 1.00 1.00 C ATOM 684 C GLY A 42 -7.341 -1.907 -11.712 1.00 1.00 C ATOM 685 O GLY A 42 -8.477 -1.825 -11.300 1.00 1.00 O ATOM 0 H GLY A 42 -4.757 -0.777 -13.274 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.491 -0.124 -12.922 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.873 -1.519 -13.784 1.00 1.00 H new ATOM 689 N ARG A 43 -6.510 -2.784 -11.228 1.00 1.00 N ATOM 690 CA ARG A 43 -6.940 -3.718 -10.147 1.00 1.00 C ATOM 691 C ARG A 43 -7.323 -2.939 -8.885 1.00 1.00 C ATOM 692 O ARG A 43 -8.155 -3.369 -8.111 1.00 1.00 O ATOM 693 CB ARG A 43 -5.788 -4.672 -9.821 1.00 1.00 C ATOM 694 CG ARG A 43 -6.185 -5.573 -8.649 1.00 1.00 C ATOM 695 CD ARG A 43 -5.238 -6.772 -8.581 1.00 1.00 C ATOM 696 NE ARG A 43 -5.595 -7.748 -9.649 1.00 1.00 N ATOM 697 CZ ARG A 43 -6.687 -8.454 -9.548 1.00 1.00 C ATOM 698 NH1 ARG A 43 -7.465 -8.309 -8.511 1.00 1.00 N ATOM 699 NH2 ARG A 43 -7.003 -9.307 -10.485 1.00 1.00 N ATOM 0 H ARG A 43 -5.544 -2.897 -11.535 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.809 -4.280 -10.490 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.546 -5.279 -10.694 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -4.892 -4.104 -9.569 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.145 -5.012 -7.716 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.213 -5.915 -8.772 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.207 -6.442 -8.705 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.305 -7.247 -7.602 1.00 1.00 H new ATOM 0 HE ARG A 43 -4.986 -7.864 -10.459 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -7.220 -7.643 -7.778 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -8.319 -8.861 -8.433 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.396 -9.421 -11.296 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -7.857 -9.859 -10.405 1.00 1.00 H new ATOM 713 N VAL A 44 -6.718 -1.804 -8.657 1.00 1.00 N ATOM 714 CA VAL A 44 -7.049 -1.022 -7.430 1.00 1.00 C ATOM 715 C VAL A 44 -8.384 -0.296 -7.616 1.00 1.00 C ATOM 716 O VAL A 44 -9.310 -0.480 -6.851 1.00 1.00 O ATOM 717 CB VAL A 44 -5.939 0.000 -7.152 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.772 0.180 -5.641 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.623 -0.500 -7.751 1.00 1.00 C ATOM 0 H VAL A 44 -6.013 -1.386 -9.264 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.130 -1.705 -6.585 1.00 1.00 H new ATOM 0 HB VAL A 44 -6.207 0.955 -7.604 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -4.983 0.906 -5.446 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.708 0.537 -5.211 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.506 -0.775 -5.188 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.834 0.226 -7.554 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.358 -1.456 -7.299 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.738 -0.627 -8.827 1.00 1.00 H new ATOM 729 N LYS A 45 -8.497 0.522 -8.626 1.00 1.00 N ATOM 730 CA LYS A 45 -9.782 1.244 -8.847 1.00 1.00 C ATOM 731 C LYS A 45 -10.867 0.223 -9.186 1.00 1.00 C ATOM 732 O LYS A 45 -12.046 0.484 -9.061 1.00 1.00 O ATOM 733 CB LYS A 45 -9.631 2.238 -10.001 1.00 1.00 C ATOM 734 CG LYS A 45 -9.140 1.506 -11.250 1.00 1.00 C ATOM 735 CD LYS A 45 -8.849 2.520 -12.362 1.00 1.00 C ATOM 736 CE LYS A 45 -10.163 3.063 -12.937 1.00 1.00 C ATOM 737 NZ LYS A 45 -10.671 4.162 -12.071 1.00 1.00 N ATOM 0 H LYS A 45 -7.761 0.721 -9.304 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.055 1.792 -7.945 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.586 2.723 -10.204 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.927 3.023 -9.727 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.240 0.936 -11.019 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -9.892 0.791 -11.584 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.249 3.340 -11.969 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.265 2.048 -13.152 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.004 3.430 -13.951 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.902 2.264 -12.999 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.535 3.849 -11.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.948 4.411 -11.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -10.885 4.994 -12.656 1.00 1.00 H new ATOM 751 N ALA A 46 -10.467 -0.941 -9.614 1.00 1.00 N ATOM 752 CA ALA A 46 -11.457 -1.996 -9.964 1.00 1.00 C ATOM 753 C ALA A 46 -12.040 -2.586 -8.678 1.00 1.00 C ATOM 754 O ALA A 46 -13.214 -2.887 -8.599 1.00 1.00 O ATOM 755 CB ALA A 46 -10.753 -3.100 -10.759 1.00 1.00 C ATOM 0 H ALA A 46 -9.490 -1.208 -9.737 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.259 -1.567 -10.564 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.472 -3.877 -11.019 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.329 -2.678 -11.670 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.956 -3.532 -10.154 1.00 1.00 H new ATOM 761 N LEU A 47 -11.226 -2.755 -7.671 1.00 1.00 N ATOM 762 CA LEU A 47 -11.732 -3.326 -6.391 1.00 1.00 C ATOM 763 C LEU A 47 -12.593 -2.282 -5.671 1.00 1.00 C ATOM 764 O LEU A 47 -13.171 -2.549 -4.637 1.00 1.00 O ATOM 765 CB LEU A 47 -10.538 -3.721 -5.505 1.00 1.00 C ATOM 766 CG LEU A 47 -10.817 -5.058 -4.811 1.00 1.00 C ATOM 767 CD1 LEU A 47 -9.586 -5.481 -4.008 1.00 1.00 C ATOM 768 CD2 LEU A 47 -12.011 -4.905 -3.866 1.00 1.00 C ATOM 0 H LEU A 47 -10.233 -2.522 -7.680 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.338 -4.209 -6.595 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.635 -3.798 -6.111 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.356 -2.947 -4.760 1.00 1.00 H new ATOM 0 HG LEU A 47 -11.042 -5.816 -5.562 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -9.783 -6.432 -3.514 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -8.734 -5.591 -4.679 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -9.362 -4.722 -3.258 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -12.209 -5.857 -3.373 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -11.786 -4.147 -3.116 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -12.889 -4.602 -4.436 1.00 1.00 H new ATOM 780 N CYS A 48 -12.687 -1.095 -6.213 1.00 1.00 N ATOM 781 CA CYS A 48 -13.513 -0.032 -5.566 1.00 1.00 C ATOM 782 C CYS A 48 -14.755 0.215 -6.421 1.00 1.00 C ATOM 783 O CYS A 48 -15.682 0.884 -6.015 1.00 1.00 O ATOM 784 CB CYS A 48 -12.695 1.260 -5.458 1.00 1.00 C ATOM 785 SG CYS A 48 -11.894 1.335 -3.838 1.00 1.00 S ATOM 0 H CYS A 48 -12.226 -0.815 -7.079 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.810 -0.349 -4.566 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -11.945 1.295 -6.248 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.343 2.126 -5.595 1.00 1.00 H new ATOM 790 N LYS A 49 -14.778 -0.327 -7.604 1.00 1.00 N ATOM 791 CA LYS A 49 -15.957 -0.130 -8.487 1.00 1.00 C ATOM 792 C LYS A 49 -17.172 -0.822 -7.862 1.00 1.00 C ATOM 793 O LYS A 49 -17.039 -1.692 -7.025 1.00 1.00 O ATOM 794 CB LYS A 49 -15.659 -0.738 -9.862 1.00 1.00 C ATOM 795 CG LYS A 49 -14.993 0.313 -10.756 1.00 1.00 C ATOM 796 CD LYS A 49 -14.691 -0.298 -12.126 1.00 1.00 C ATOM 797 CE LYS A 49 -13.982 0.739 -13.000 1.00 1.00 C ATOM 798 NZ LYS A 49 -13.868 0.219 -14.392 1.00 1.00 N ATOM 0 H LYS A 49 -14.030 -0.898 -7.998 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.168 0.933 -8.601 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -15.006 -1.604 -9.754 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -16.582 -1.090 -10.323 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.647 1.178 -10.868 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -14.072 0.668 -10.294 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.065 -1.183 -12.012 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -15.616 -0.622 -12.604 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -14.538 1.676 -12.995 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.992 0.954 -12.598 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -13.386 0.923 -14.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -13.320 -0.665 -14.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.818 0.036 -14.773 1.00 1.00 H new ATOM 812 N ASN A 50 -18.355 -0.440 -8.263 1.00 1.00 N ATOM 813 CA ASN A 50 -19.585 -1.068 -7.698 1.00 1.00 C ATOM 814 C ASN A 50 -19.815 -0.567 -6.268 1.00 1.00 C ATOM 815 O ASN A 50 -20.923 -0.575 -5.770 1.00 1.00 O ATOM 816 CB ASN A 50 -19.438 -2.595 -7.691 1.00 1.00 C ATOM 817 CG ASN A 50 -18.621 -3.037 -8.908 1.00 1.00 C ATOM 818 OD1 ASN A 50 -18.832 -2.555 -10.003 1.00 1.00 O ATOM 819 ND2 ASN A 50 -17.690 -3.939 -8.761 1.00 1.00 N ATOM 0 H ASN A 50 -18.523 0.284 -8.961 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.439 -0.793 -8.318 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -18.947 -2.919 -6.773 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.421 -3.065 -7.710 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -17.139 -4.239 -9.565 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -17.513 -4.344 -7.842 1.00 1.00 H new ATOM 826 N ILE A 51 -18.781 -0.126 -5.603 1.00 1.00 N ATOM 827 CA ILE A 51 -18.955 0.378 -4.211 1.00 1.00 C ATOM 828 C ILE A 51 -20.015 1.484 -4.214 1.00 1.00 C ATOM 829 O ILE A 51 -20.548 1.832 -5.248 1.00 1.00 O ATOM 830 CB ILE A 51 -17.615 0.923 -3.699 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.602 -0.229 -3.592 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.796 1.575 -2.325 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.108 -1.302 -2.618 1.00 1.00 C ATOM 0 H ILE A 51 -17.827 -0.093 -5.962 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.280 -0.429 -3.554 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.247 1.673 -4.399 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.439 -0.670 -4.575 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.640 0.155 -3.252 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.837 1.957 -1.974 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.507 2.397 -2.403 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.172 0.836 -1.618 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.378 -2.109 -2.555 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.247 -0.861 -1.631 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.058 -1.699 -2.975 1.00 1.00 H new ATOM 845 N ARG A 52 -20.337 2.027 -3.069 1.00 1.00 N ATOM 846 CA ARG A 52 -21.379 3.098 -3.013 1.00 1.00 C ATOM 847 C ARG A 52 -20.827 4.348 -2.327 1.00 1.00 C ATOM 848 O ARG A 52 -21.136 5.460 -2.708 1.00 1.00 O ATOM 849 CB ARG A 52 -22.588 2.584 -2.227 1.00 1.00 C ATOM 850 CG ARG A 52 -23.773 3.529 -2.439 1.00 1.00 C ATOM 851 CD ARG A 52 -24.846 3.247 -1.385 1.00 1.00 C ATOM 852 NE ARG A 52 -24.913 1.781 -1.126 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.571 1.332 -0.091 1.00 1.00 C ATOM 854 NH1 ARG A 52 -26.170 2.165 0.714 1.00 1.00 N ATOM 855 NH2 ARG A 52 -25.629 0.048 0.137 1.00 1.00 N ATOM 0 H ARG A 52 -19.925 1.776 -2.170 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.674 3.356 -4.030 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -22.848 1.578 -2.556 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.345 2.520 -1.166 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.442 4.565 -2.369 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -24.186 3.393 -3.439 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.614 3.780 -0.463 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -25.814 3.611 -1.729 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.446 1.129 -1.756 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -26.125 3.168 0.536 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.684 1.813 1.522 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -25.161 -0.603 -0.493 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.143 -0.304 0.945 1.00 1.00 H new ATOM 869 N ASP A 53 -20.024 4.185 -1.315 1.00 1.00 N ATOM 870 CA ASP A 53 -19.476 5.383 -0.613 1.00 1.00 C ATOM 871 C ASP A 53 -18.381 4.974 0.368 1.00 1.00 C ATOM 872 O ASP A 53 -17.782 3.923 0.257 1.00 1.00 O ATOM 873 CB ASP A 53 -20.603 6.079 0.152 1.00 1.00 C ATOM 874 CG ASP A 53 -21.123 5.152 1.252 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.915 3.956 1.139 1.00 1.00 O ATOM 876 OD2 ASP A 53 -21.721 5.655 2.190 1.00 1.00 O ATOM 0 H ASP A 53 -19.724 3.284 -0.944 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.051 6.061 -1.353 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.240 7.010 0.588 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.412 6.341 -0.530 1.00 1.00 H new ATOM 881 N ASN A 54 -18.115 5.815 1.324 1.00 1.00 N ATOM 882 CA ASN A 54 -17.055 5.515 2.326 1.00 1.00 C ATOM 883 C ASN A 54 -17.454 4.292 3.152 1.00 1.00 C ATOM 884 O ASN A 54 -18.350 4.347 3.972 1.00 1.00 O ATOM 885 CB ASN A 54 -16.879 6.719 3.255 1.00 1.00 C ATOM 886 CG ASN A 54 -18.180 6.968 4.021 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.164 7.174 5.218 1.00 1.00 O ATOM 888 ND2 ASN A 54 -19.314 6.958 3.376 1.00 1.00 N ATOM 0 H ASN A 54 -18.591 6.707 1.457 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.118 5.310 1.808 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.063 6.536 3.954 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.611 7.603 2.676 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -20.187 7.123 3.877 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -19.328 6.785 2.371 1.00 1.00 H new ATOM 895 N THR A 55 -16.787 3.190 2.946 1.00 1.00 N ATOM 896 CA THR A 55 -17.111 1.958 3.718 1.00 1.00 C ATOM 897 C THR A 55 -15.848 1.102 3.839 1.00 1.00 C ATOM 898 O THR A 55 -14.942 1.202 3.037 1.00 1.00 O ATOM 899 CB THR A 55 -18.210 1.169 2.989 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.823 2.005 2.017 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.266 0.696 3.992 1.00 1.00 C ATOM 0 H THR A 55 -16.028 3.090 2.272 1.00 1.00 H new ATOM 0 HA THR A 55 -17.468 2.225 4.713 1.00 1.00 H new ATOM 0 HB THR A 55 -17.766 0.301 2.501 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.624 2.420 2.401 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.042 0.138 3.468 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.798 0.054 4.738 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.712 1.560 4.486 1.00 1.00 H new ATOM 909 N ASP A 56 -15.781 0.264 4.834 1.00 1.00 N ATOM 910 CA ASP A 56 -14.573 -0.593 5.005 1.00 1.00 C ATOM 911 C ASP A 56 -14.721 -1.857 4.161 1.00 1.00 C ATOM 912 O ASP A 56 -15.608 -2.659 4.376 1.00 1.00 O ATOM 913 CB ASP A 56 -14.423 -0.980 6.477 1.00 1.00 C ATOM 914 CG ASP A 56 -15.744 -1.554 6.994 1.00 1.00 C ATOM 915 OD1 ASP A 56 -16.781 -1.038 6.611 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.695 -2.498 7.765 1.00 1.00 O ATOM 0 H ASP A 56 -16.509 0.134 5.537 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.690 -0.041 4.683 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.626 -1.715 6.591 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.139 -0.108 7.066 1.00 1.00 H new ATOM 921 N VAL A 57 -13.855 -2.042 3.202 1.00 1.00 N ATOM 922 CA VAL A 57 -13.937 -3.256 2.340 1.00 1.00 C ATOM 923 C VAL A 57 -12.872 -4.263 2.782 1.00 1.00 C ATOM 924 O VAL A 57 -11.985 -3.945 3.551 1.00 1.00 O ATOM 925 CB VAL A 57 -13.712 -2.863 0.879 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.603 -1.669 0.537 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.246 -2.480 0.667 1.00 1.00 C ATOM 0 H VAL A 57 -13.092 -1.403 2.978 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.923 -3.710 2.437 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.960 -3.706 0.234 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.447 -1.385 -0.504 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.648 -1.940 0.686 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.351 -0.829 1.185 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.090 -2.201 -0.375 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.993 -1.637 1.310 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.609 -3.329 0.914 1.00 1.00 H new ATOM 937 N LEU A 58 -12.964 -5.476 2.308 1.00 1.00 N ATOM 938 CA LEU A 58 -11.977 -6.525 2.705 1.00 1.00 C ATOM 939 C LEU A 58 -11.551 -7.313 1.461 1.00 1.00 C ATOM 940 O LEU A 58 -12.380 -7.748 0.686 1.00 1.00 O ATOM 941 CB LEU A 58 -12.657 -7.473 3.712 1.00 1.00 C ATOM 942 CG LEU A 58 -11.709 -7.829 4.865 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.501 -8.593 4.323 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.242 -6.554 5.581 1.00 1.00 C ATOM 0 H LEU A 58 -13.685 -5.789 1.658 1.00 1.00 H new ATOM 0 HA LEU A 58 -11.097 -6.069 3.158 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.556 -7.002 4.109 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.973 -8.384 3.203 1.00 1.00 H new ATOM 0 HG LEU A 58 -12.241 -8.457 5.579 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.830 -8.844 5.145 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.838 -9.509 3.837 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.972 -7.972 3.600 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.570 -6.820 6.397 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.718 -5.911 4.874 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.106 -6.024 5.981 1.00 1.00 H new ATOM 956 N SER A 59 -10.272 -7.510 1.257 1.00 1.00 N ATOM 957 CA SER A 59 -9.841 -8.279 0.055 1.00 1.00 C ATOM 958 C SER A 59 -10.555 -9.635 0.056 1.00 1.00 C ATOM 959 O SER A 59 -10.943 -10.143 1.089 1.00 1.00 O ATOM 960 CB SER A 59 -8.320 -8.469 0.064 1.00 1.00 C ATOM 961 OG SER A 59 -8.004 -9.787 -0.364 1.00 1.00 O ATOM 0 H SER A 59 -9.521 -7.177 1.861 1.00 1.00 H new ATOM 0 HA SER A 59 -10.105 -7.731 -0.849 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.848 -7.739 -0.593 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.927 -8.297 1.066 1.00 1.00 H new ATOM 0 HG SER A 59 -7.391 -9.745 -1.127 1.00 1.00 H new ATOM 967 N ARG A 60 -10.762 -10.209 -1.098 1.00 1.00 N ATOM 968 CA ARG A 60 -11.485 -11.514 -1.167 1.00 1.00 C ATOM 969 C ARG A 60 -10.538 -12.680 -0.876 1.00 1.00 C ATOM 970 O ARG A 60 -10.940 -13.827 -0.893 1.00 1.00 O ATOM 971 CB ARG A 60 -12.080 -11.686 -2.566 1.00 1.00 C ATOM 972 CG ARG A 60 -13.230 -10.696 -2.758 1.00 1.00 C ATOM 973 CD ARG A 60 -13.581 -10.602 -4.244 1.00 1.00 C ATOM 974 NE ARG A 60 -13.540 -11.961 -4.852 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.455 -12.840 -4.549 1.00 1.00 C ATOM 976 NH1 ARG A 60 -15.409 -12.528 -3.716 1.00 1.00 N ATOM 977 NH2 ARG A 60 -14.416 -14.031 -5.080 1.00 1.00 N ATOM 0 H ARG A 60 -10.462 -9.832 -1.997 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.275 -11.513 -0.417 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.313 -11.519 -3.322 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.439 -12.707 -2.697 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -14.101 -11.019 -2.188 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.946 -9.715 -2.378 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.573 -10.167 -4.367 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -12.878 -9.943 -4.753 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.796 -12.205 -5.506 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.440 -11.597 -3.301 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -16.124 -13.215 -3.479 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -13.670 -14.275 -5.732 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -15.131 -14.719 -4.843 1.00 1.00 H new ATOM 991 N ASP A 61 -9.290 -12.416 -0.609 1.00 1.00 N ATOM 992 CA ASP A 61 -8.355 -13.542 -0.326 1.00 1.00 C ATOM 993 C ASP A 61 -7.055 -13.013 0.276 1.00 1.00 C ATOM 994 O ASP A 61 -6.922 -12.895 1.478 1.00 1.00 O ATOM 995 CB ASP A 61 -8.047 -14.287 -1.626 1.00 1.00 C ATOM 996 CG ASP A 61 -7.029 -15.395 -1.352 1.00 1.00 C ATOM 997 OD1 ASP A 61 -7.425 -16.415 -0.812 1.00 1.00 O ATOM 998 OD2 ASP A 61 -5.872 -15.205 -1.687 1.00 1.00 O ATOM 0 H ASP A 61 -8.880 -11.483 -0.574 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.824 -14.220 0.386 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.962 -14.713 -2.038 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.654 -13.594 -2.370 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.089 -12.705 -0.544 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.796 -12.198 -0.006 1.00 1.00 C ATOM 1005 C ALA A 62 -4.202 -11.162 -0.959 1.00 1.00 C ATOM 1006 O ALA A 62 -4.634 -11.014 -2.085 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.820 -13.365 0.149 1.00 1.00 C ATOM 0 H ALA A 62 -6.138 -12.782 -1.560 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.970 -11.731 0.963 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.872 -12.997 0.543 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.238 -14.100 0.837 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.653 -13.831 -0.822 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.206 -10.448 -0.511 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.566 -9.420 -1.377 1.00 1.00 C ATOM 1015 C PHE A 63 -1.090 -9.303 -0.992 1.00 1.00 C ATOM 1016 O PHE A 63 -0.751 -9.151 0.164 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.266 -8.069 -1.173 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.392 -7.925 -2.172 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.632 -8.526 -1.923 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.195 -7.189 -3.346 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.673 -8.392 -2.850 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.235 -7.056 -4.273 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.473 -7.656 -4.025 1.00 1.00 C ATOM 0 H PHE A 63 -2.806 -10.534 0.424 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.652 -9.708 -2.425 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.656 -8.000 -0.158 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.551 -7.255 -1.296 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.785 -9.093 -1.016 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.239 -6.723 -3.537 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.629 -8.856 -2.659 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.081 -6.490 -5.180 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.276 -7.552 -4.740 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.212 -9.381 -1.954 1.00 1.00 N ATOM 1034 CA LEU A 64 1.242 -9.283 -1.650 1.00 1.00 C ATOM 1035 C LEU A 64 1.628 -7.816 -1.486 1.00 1.00 C ATOM 1036 O LEU A 64 1.584 -7.049 -2.426 1.00 1.00 O ATOM 1037 CB LEU A 64 2.039 -9.890 -2.811 1.00 1.00 C ATOM 1038 CG LEU A 64 3.473 -10.208 -2.363 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.103 -11.197 -3.344 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.311 -8.921 -2.334 1.00 1.00 C ATOM 0 H LEU A 64 -0.440 -9.509 -2.940 1.00 1.00 H new ATOM 0 HA LEU A 64 1.462 -9.822 -0.729 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.550 -10.799 -3.161 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.058 -9.195 -3.651 1.00 1.00 H new ATOM 0 HG LEU A 64 3.447 -10.643 -1.364 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.121 -11.424 -3.028 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.515 -12.115 -3.363 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.122 -10.758 -4.341 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.327 -9.155 -2.015 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.336 -8.481 -3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.866 -8.213 -1.635 1.00 1.00 H new ATOM 1052 N LEU A 65 2.008 -7.412 -0.302 1.00 1.00 N ATOM 1053 CA LEU A 65 2.402 -5.988 -0.101 1.00 1.00 C ATOM 1054 C LEU A 65 3.846 -5.915 0.409 1.00 1.00 C ATOM 1055 O LEU A 65 4.212 -6.601 1.342 1.00 1.00 O ATOM 1056 CB LEU A 65 1.494 -5.302 0.934 1.00 1.00 C ATOM 1057 CG LEU A 65 0.490 -6.278 1.533 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.019 -5.712 2.874 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.706 -6.413 0.583 1.00 1.00 C ATOM 0 H LEU A 65 2.062 -8.002 0.528 1.00 1.00 H new ATOM 0 HA LEU A 65 2.306 -5.480 -1.060 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.105 -4.875 1.729 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.962 -4.476 0.462 1.00 1.00 H new ATOM 0 HG LEU A 65 0.945 -7.258 1.678 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.702 -6.394 3.324 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.874 -5.596 3.541 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.450 -4.741 2.714 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.429 -7.111 1.005 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.176 -5.439 0.450 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.364 -6.786 -0.382 1.00 1.00 H new ATOM 1071 N PRO A 66 4.648 -5.055 -0.164 1.00 1.00 N ATOM 1072 CA PRO A 66 6.050 -4.861 0.284 1.00 1.00 C ATOM 1073 C PRO A 66 6.073 -4.072 1.595 1.00 1.00 C ATOM 1074 O PRO A 66 5.178 -3.297 1.865 1.00 1.00 O ATOM 1075 CB PRO A 66 6.699 -4.064 -0.851 1.00 1.00 C ATOM 1076 CG PRO A 66 5.575 -3.373 -1.554 1.00 1.00 C ATOM 1077 CD PRO A 66 4.307 -4.183 -1.298 1.00 1.00 C ATOM 0 HA PRO A 66 6.573 -5.798 0.477 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.419 -3.344 -0.462 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.241 -4.721 -1.531 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.460 -2.354 -1.184 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.776 -3.303 -2.623 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.464 -3.535 -1.060 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.024 -4.765 -2.175 1.00 1.00 H new ATOM 1085 N GLN A 67 7.054 -4.270 2.429 1.00 1.00 N ATOM 1086 CA GLN A 67 7.075 -3.520 3.718 1.00 1.00 C ATOM 1087 C GLN A 67 8.517 -3.215 4.124 1.00 1.00 C ATOM 1088 O GLN A 67 9.362 -4.089 4.148 1.00 1.00 O ATOM 1089 CB GLN A 67 6.401 -4.364 4.805 1.00 1.00 C ATOM 1090 CG GLN A 67 5.998 -3.471 5.984 1.00 1.00 C ATOM 1091 CD GLN A 67 7.244 -3.073 6.777 1.00 1.00 C ATOM 1092 OE1 GLN A 67 8.272 -3.713 6.678 1.00 1.00 O ATOM 1093 NE2 GLN A 67 7.195 -2.036 7.567 1.00 1.00 N ATOM 0 H GLN A 67 7.834 -4.910 2.279 1.00 1.00 H new ATOM 0 HA GLN A 67 6.537 -2.580 3.596 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.521 -4.862 4.398 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.081 -5.145 5.145 1.00 1.00 H new ATOM 0 HG2 GLN A 67 5.487 -2.580 5.620 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.297 -3.999 6.630 1.00 1.00 H new ATOM 0 HE21 GLN A 67 6.332 -1.499 7.650 1.00 1.00 H new ATOM 0 HE22 GLN A 67 8.020 -1.763 8.101 1.00 1.00 H new ATOM 1102 N CYS A 68 8.806 -1.983 4.453 1.00 1.00 N ATOM 1103 CA CYS A 68 10.194 -1.629 4.868 1.00 1.00 C ATOM 1104 C CYS A 68 10.287 -1.623 6.396 1.00 1.00 C ATOM 1105 O CYS A 68 9.391 -1.167 7.076 1.00 1.00 O ATOM 1106 CB CYS A 68 10.543 -0.241 4.337 1.00 1.00 C ATOM 1107 SG CYS A 68 10.063 -0.126 2.597 1.00 1.00 S ATOM 0 H CYS A 68 8.142 -1.209 4.452 1.00 1.00 H new ATOM 0 HA CYS A 68 10.891 -2.363 4.464 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.028 0.523 4.919 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.612 -0.057 4.444 1.00 1.00 H new ATOM 1112 N ASP A 69 11.364 -2.130 6.942 1.00 1.00 N ATOM 1113 CA ASP A 69 11.509 -2.154 8.429 1.00 1.00 C ATOM 1114 C ASP A 69 12.926 -1.727 8.824 1.00 1.00 C ATOM 1115 O ASP A 69 13.892 -2.409 8.542 1.00 1.00 O ATOM 1116 CB ASP A 69 11.246 -3.572 8.941 1.00 1.00 C ATOM 1117 CG ASP A 69 11.376 -3.597 10.466 1.00 1.00 C ATOM 1118 OD1 ASP A 69 11.591 -2.542 11.039 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.258 -4.670 11.034 1.00 1.00 O ATOM 0 H ASP A 69 12.147 -2.527 6.423 1.00 1.00 H new ATOM 0 HA ASP A 69 10.791 -1.463 8.870 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.249 -3.898 8.645 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.955 -4.269 8.494 1.00 1.00 H new ATOM 1124 N ARG A 70 13.057 -0.605 9.482 1.00 1.00 N ATOM 1125 CA ARG A 70 14.410 -0.136 9.902 1.00 1.00 C ATOM 1126 C ARG A 70 14.831 -0.873 11.174 1.00 1.00 C ATOM 1127 O ARG A 70 14.129 -0.871 12.166 1.00 1.00 O ATOM 1128 CB ARG A 70 14.362 1.370 10.176 1.00 1.00 C ATOM 1129 CG ARG A 70 15.784 1.910 10.357 1.00 1.00 C ATOM 1130 CD ARG A 70 15.738 3.229 11.133 1.00 1.00 C ATOM 1131 NE ARG A 70 15.468 2.950 12.572 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.392 2.403 13.315 1.00 1.00 C ATOM 1133 NH1 ARG A 70 17.552 2.104 12.797 1.00 1.00 N ATOM 1134 NH2 ARG A 70 16.155 2.157 14.574 1.00 1.00 N ATOM 0 H ARG A 70 12.285 0.007 9.747 1.00 1.00 H new ATOM 0 HA ARG A 70 15.130 -0.339 9.109 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.870 1.884 9.350 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.772 1.568 11.071 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.395 1.183 10.892 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.252 2.065 9.385 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.684 3.759 11.026 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.962 3.876 10.725 1.00 1.00 H new ATOM 0 HE ARG A 70 14.562 3.186 12.976 1.00 1.00 H new ATOM 0 HH11 ARG A 70 17.736 2.298 11.813 1.00 1.00 H new ATOM 0 HH12 ARG A 70 18.274 1.677 13.377 1.00 1.00 H new ATOM 0 HH21 ARG A 70 15.248 2.392 14.978 1.00 1.00 H new ATOM 0 HH22 ARG A 70 16.876 1.730 15.155 1.00 1.00 H new ATOM 1148 N ILE A 71 15.974 -1.509 11.152 1.00 1.00 N ATOM 1149 CA ILE A 71 16.447 -2.253 12.357 1.00 1.00 C ATOM 1150 C ILE A 71 17.935 -1.973 12.591 1.00 1.00 C ATOM 1151 O ILE A 71 18.416 -2.029 13.706 1.00 1.00 O ATOM 1152 CB ILE A 71 16.243 -3.755 12.142 1.00 1.00 C ATOM 1153 CG1 ILE A 71 14.746 -4.060 12.051 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.849 -4.527 13.316 1.00 1.00 C ATOM 1155 CD1 ILE A 71 14.545 -5.506 11.593 1.00 1.00 C ATOM 0 H ILE A 71 16.602 -1.545 10.349 1.00 1.00 H new ATOM 0 HA ILE A 71 15.877 -1.925 13.226 1.00 1.00 H new ATOM 0 HB ILE A 71 16.733 -4.058 11.216 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.273 -3.906 13.021 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.267 -3.376 11.351 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.703 -5.596 13.162 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.916 -4.312 13.381 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.360 -4.224 14.242 1.00 1.00 H new ATOM 0 HD11 ILE A 71 13.479 -5.722 11.528 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.003 -5.645 10.614 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.010 -6.183 12.310 1.00 1.00 H new ATOM 1167 N LYS A 72 18.673 -1.682 11.551 1.00 1.00 N ATOM 1168 CA LYS A 72 20.131 -1.408 11.717 1.00 1.00 C ATOM 1169 C LYS A 72 20.540 -0.227 10.833 1.00 1.00 C ATOM 1170 O LYS A 72 19.759 0.279 10.051 1.00 1.00 O ATOM 1171 CB LYS A 72 20.929 -2.648 11.307 1.00 1.00 C ATOM 1172 CG LYS A 72 20.678 -2.951 9.827 1.00 1.00 C ATOM 1173 CD LYS A 72 21.264 -4.324 9.469 1.00 1.00 C ATOM 1174 CE LYS A 72 20.237 -5.421 9.768 1.00 1.00 C ATOM 1175 NZ LYS A 72 20.782 -6.740 9.338 1.00 1.00 N ATOM 0 H LYS A 72 18.328 -1.622 10.593 1.00 1.00 H new ATOM 0 HA LYS A 72 20.336 -1.166 12.760 1.00 1.00 H new ATOM 0 HB2 LYS A 72 21.992 -2.483 11.480 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.635 -3.501 11.919 1.00 1.00 H new ATOM 0 HG2 LYS A 72 19.608 -2.937 9.620 1.00 1.00 H new ATOM 0 HG3 LYS A 72 21.132 -2.179 9.206 1.00 1.00 H new ATOM 0 HD2 LYS A 72 21.539 -4.348 8.415 1.00 1.00 H new ATOM 0 HD3 LYS A 72 22.175 -4.501 10.040 1.00 1.00 H new ATOM 0 HE2 LYS A 72 20.008 -5.440 10.834 1.00 1.00 H new ATOM 0 HE3 LYS A 72 19.304 -5.213 9.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 20.086 -7.486 9.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 20.979 -6.718 8.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 21.662 -6.938 9.856 1.00 1.00 H new ATOM 1189 N LEU A 73 21.764 0.214 10.953 1.00 1.00 N ATOM 1190 CA LEU A 73 22.239 1.358 10.127 1.00 1.00 C ATOM 1191 C LEU A 73 21.352 2.583 10.398 1.00 1.00 C ATOM 1192 O LEU A 73 20.369 2.494 11.104 1.00 1.00 O ATOM 1193 CB LEU A 73 22.160 0.955 8.641 1.00 1.00 C ATOM 1194 CG LEU A 73 23.571 0.832 8.049 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.174 -0.519 8.436 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.496 0.936 6.524 1.00 1.00 C ATOM 0 H LEU A 73 22.458 -0.173 11.592 1.00 1.00 H new ATOM 0 HA LEU A 73 23.269 1.611 10.380 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.632 0.007 8.542 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.588 1.698 8.085 1.00 1.00 H new ATOM 0 HG LEU A 73 24.197 1.634 8.439 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.176 -0.604 8.015 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.229 -0.595 9.522 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.547 -1.322 8.047 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.498 0.849 6.104 1.00 1.00 H new ATOM 0 HD22 LEU A 73 22.868 0.134 6.135 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.068 1.899 6.246 1.00 1.00 H new ATOM 1208 N PRO A 74 21.696 3.721 9.839 1.00 1.00 N ATOM 1209 CA PRO A 74 20.915 4.975 10.028 1.00 1.00 C ATOM 1210 C PRO A 74 19.715 5.078 9.080 1.00 1.00 C ATOM 1211 O PRO A 74 18.578 5.105 9.511 1.00 1.00 O ATOM 1212 CB PRO A 74 21.937 6.070 9.726 1.00 1.00 C ATOM 1213 CG PRO A 74 22.885 5.464 8.739 1.00 1.00 C ATOM 1214 CD PRO A 74 22.875 3.946 8.979 1.00 1.00 C ATOM 0 HA PRO A 74 20.481 5.037 11.026 1.00 1.00 H new ATOM 0 HB2 PRO A 74 21.454 6.956 9.314 1.00 1.00 H new ATOM 0 HB3 PRO A 74 22.458 6.382 10.631 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.579 5.695 7.719 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.889 5.868 8.870 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.795 3.395 8.042 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.792 3.614 9.466 1.00 1.00 H new ATOM 1222 N CYS A 75 19.957 5.147 7.798 1.00 1.00 N ATOM 1223 CA CYS A 75 18.830 5.262 6.825 1.00 1.00 C ATOM 1224 C CYS A 75 18.739 3.991 5.978 1.00 1.00 C ATOM 1225 O CYS A 75 18.655 4.047 4.767 1.00 1.00 O ATOM 1226 CB CYS A 75 19.075 6.467 5.915 1.00 1.00 C ATOM 1227 SG CYS A 75 17.562 6.850 4.998 1.00 1.00 S ATOM 0 H CYS A 75 20.888 5.129 7.381 1.00 1.00 H new ATOM 0 HA CYS A 75 17.894 5.393 7.369 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.381 7.328 6.509 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.889 6.253 5.222 1.00 1.00 H new ATOM 1232 N HIS A 76 18.743 2.846 6.608 1.00 1.00 N ATOM 1233 CA HIS A 76 18.644 1.562 5.851 1.00 1.00 C ATOM 1234 C HIS A 76 17.389 0.818 6.305 1.00 1.00 C ATOM 1235 O HIS A 76 16.922 0.997 7.413 1.00 1.00 O ATOM 1236 CB HIS A 76 19.877 0.703 6.134 1.00 1.00 C ATOM 1237 CG HIS A 76 19.868 -0.498 5.230 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.723 -1.791 5.716 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.984 -0.622 3.867 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.756 -2.628 4.661 1.00 1.00 C ATOM 1241 NE2 HIS A 76 19.913 -1.964 3.515 1.00 1.00 N ATOM 0 H HIS A 76 18.811 2.744 7.621 1.00 1.00 H new ATOM 0 HA HIS A 76 18.589 1.766 4.782 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.784 1.286 5.974 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.882 0.387 7.177 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.111 0.198 3.175 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.667 -3.702 4.734 1.00 1.00 H new ATOM 0 HE2 HIS A 76 19.969 -2.359 2.576 1.00 1.00 H new ATOM 1250 N TYR A 77 16.830 -0.009 5.461 1.00 1.00 N ATOM 1251 CA TYR A 77 15.596 -0.752 5.855 1.00 1.00 C ATOM 1252 C TYR A 77 15.689 -2.210 5.400 1.00 1.00 C ATOM 1253 O TYR A 77 16.513 -2.568 4.584 1.00 1.00 O ATOM 1254 CB TYR A 77 14.380 -0.094 5.200 1.00 1.00 C ATOM 1255 CG TYR A 77 14.559 1.404 5.193 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.241 2.026 4.139 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.042 2.173 6.240 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.405 3.417 4.135 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.205 3.563 6.236 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.887 4.185 5.183 1.00 1.00 C ATOM 1261 OH TYR A 77 15.047 5.555 5.181 1.00 1.00 O ATOM 0 H TYR A 77 17.172 -0.202 4.520 1.00 1.00 H new ATOM 0 HA TYR A 77 15.495 -0.724 6.940 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.260 -0.461 4.181 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.473 -0.360 5.743 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.640 1.433 3.330 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.516 1.694 7.053 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.931 3.896 3.323 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.805 4.156 7.045 1.00 1.00 H new ATOM 0 HH TYR A 77 15.893 5.786 5.618 1.00 1.00 H new ATOM 1271 N LYS A 78 14.836 -3.049 5.926 1.00 1.00 N ATOM 1272 CA LYS A 78 14.846 -4.489 5.536 1.00 1.00 C ATOM 1273 C LYS A 78 13.630 -4.767 4.647 1.00 1.00 C ATOM 1274 O LYS A 78 12.552 -4.253 4.880 1.00 1.00 O ATOM 1275 CB LYS A 78 14.778 -5.358 6.803 1.00 1.00 C ATOM 1276 CG LYS A 78 15.714 -6.564 6.667 1.00 1.00 C ATOM 1277 CD LYS A 78 15.249 -7.450 5.510 1.00 1.00 C ATOM 1278 CE LYS A 78 15.875 -8.840 5.646 1.00 1.00 C ATOM 1279 NZ LYS A 78 17.360 -8.715 5.664 1.00 1.00 N ATOM 0 H LYS A 78 14.127 -2.796 6.615 1.00 1.00 H new ATOM 0 HA LYS A 78 15.759 -4.725 4.990 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.059 -4.766 7.674 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.755 -5.698 6.965 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.735 -6.226 6.491 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.723 -7.136 7.595 1.00 1.00 H new ATOM 0 HD2 LYS A 78 14.162 -7.528 5.512 1.00 1.00 H new ATOM 0 HD3 LYS A 78 15.535 -7.003 4.558 1.00 1.00 H new ATOM 0 HE2 LYS A 78 15.528 -9.319 6.562 1.00 1.00 H new ATOM 0 HE3 LYS A 78 15.563 -9.474 4.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.789 -9.648 5.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.662 -8.059 4.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.666 -8.350 6.588 1.00 1.00 H new ATOM 1293 N LEU A 79 13.795 -5.568 3.628 1.00 1.00 N ATOM 1294 CA LEU A 79 12.654 -5.872 2.719 1.00 1.00 C ATOM 1295 C LEU A 79 11.831 -7.031 3.293 1.00 1.00 C ATOM 1296 O LEU A 79 12.337 -8.111 3.525 1.00 1.00 O ATOM 1297 CB LEU A 79 13.200 -6.259 1.336 1.00 1.00 C ATOM 1298 CG LEU A 79 12.191 -5.891 0.236 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.826 -6.507 0.557 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.057 -4.362 0.132 1.00 1.00 C ATOM 0 H LEU A 79 14.674 -6.026 3.386 1.00 1.00 H new ATOM 0 HA LEU A 79 12.016 -4.993 2.627 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.146 -5.748 1.156 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.405 -7.329 1.306 1.00 1.00 H new ATOM 0 HG LEU A 79 12.549 -6.282 -0.716 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.115 -6.243 -0.226 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.920 -7.592 0.611 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.471 -6.125 1.514 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.340 -4.112 -0.650 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.710 -3.962 1.084 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.026 -3.928 -0.112 1.00 1.00 H new ATOM 1312 N SER A 80 10.563 -6.814 3.518 1.00 1.00 N ATOM 1313 CA SER A 80 9.698 -7.898 4.069 1.00 1.00 C ATOM 1314 C SER A 80 8.298 -7.776 3.462 1.00 1.00 C ATOM 1315 O SER A 80 7.666 -6.743 3.548 1.00 1.00 O ATOM 1316 CB SER A 80 9.610 -7.758 5.589 1.00 1.00 C ATOM 1317 OG SER A 80 8.507 -8.515 6.067 1.00 1.00 O ATOM 0 H SER A 80 10.087 -5.929 3.343 1.00 1.00 H new ATOM 0 HA SER A 80 10.123 -8.871 3.822 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.533 -8.107 6.052 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.492 -6.710 5.863 1.00 1.00 H new ATOM 0 HG SER A 80 8.449 -8.429 7.041 1.00 1.00 H new ATOM 1323 N SER A 81 7.809 -8.819 2.843 1.00 1.00 N ATOM 1324 CA SER A 81 6.451 -8.755 2.224 1.00 1.00 C ATOM 1325 C SER A 81 5.692 -10.054 2.502 1.00 1.00 C ATOM 1326 O SER A 81 6.273 -11.066 2.838 1.00 1.00 O ATOM 1327 CB SER A 81 6.594 -8.567 0.712 1.00 1.00 C ATOM 1328 OG SER A 81 6.742 -9.839 0.094 1.00 1.00 O ATOM 0 H SER A 81 8.291 -9.712 2.739 1.00 1.00 H new ATOM 0 HA SER A 81 5.899 -7.917 2.651 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.718 -8.055 0.313 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.458 -7.940 0.492 1.00 1.00 H new ATOM 0 HG SER A 81 7.143 -9.727 -0.793 1.00 1.00 H new ATOM 1334 N SER A 82 4.394 -10.031 2.360 1.00 1.00 N ATOM 1335 CA SER A 82 3.592 -11.262 2.610 1.00 1.00 C ATOM 1336 C SER A 82 2.223 -11.118 1.951 1.00 1.00 C ATOM 1337 O SER A 82 1.807 -10.035 1.591 1.00 1.00 O ATOM 1338 CB SER A 82 3.419 -11.465 4.116 1.00 1.00 C ATOM 1339 OG SER A 82 2.440 -10.557 4.603 1.00 1.00 O ATOM 0 H SER A 82 3.854 -9.212 2.081 1.00 1.00 H new ATOM 0 HA SER A 82 4.109 -12.124 2.188 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.115 -12.491 4.324 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.368 -11.304 4.628 1.00 1.00 H new ATOM 0 HG SER A 82 2.326 -10.686 5.568 1.00 1.00 H new ATOM 1345 N THR A 83 1.531 -12.209 1.770 1.00 1.00 N ATOM 1346 CA THR A 83 0.205 -12.160 1.116 1.00 1.00 C ATOM 1347 C THR A 83 -0.900 -12.368 2.155 1.00 1.00 C ATOM 1348 O THR A 83 -0.967 -13.389 2.810 1.00 1.00 O ATOM 1349 CB THR A 83 0.162 -13.276 0.078 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.140 -14.254 0.403 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.462 -12.701 -1.305 1.00 1.00 C ATOM 0 H THR A 83 1.836 -13.140 2.053 1.00 1.00 H new ATOM 0 HA THR A 83 0.048 -11.191 0.643 1.00 1.00 H new ATOM 0 HB THR A 83 -0.828 -13.732 0.074 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.115 -14.975 -0.261 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.431 -13.500 -2.046 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.283 -11.946 -1.554 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.453 -12.246 -1.303 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.770 -11.408 2.305 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.876 -11.552 3.296 1.00 1.00 C ATOM 1361 C ASN A 84 -4.002 -10.575 2.950 1.00 1.00 C ATOM 1362 O ASN A 84 -3.782 -9.572 2.300 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.346 -11.248 4.699 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.460 -10.002 4.653 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.373 -9.341 3.638 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -0.793 -9.651 5.719 1.00 1.00 N ATOM 0 H ASN A 84 -1.764 -10.530 1.785 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.260 -12.572 3.267 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -3.177 -11.091 5.387 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.777 -12.098 5.076 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -0.199 -8.822 5.699 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.866 -10.206 6.572 1.00 1.00 H new ATOM 1373 N THR A 85 -5.205 -10.857 3.376 1.00 1.00 N ATOM 1374 CA THR A 85 -6.335 -9.940 3.070 1.00 1.00 C ATOM 1375 C THR A 85 -6.081 -8.604 3.773 1.00 1.00 C ATOM 1376 O THR A 85 -5.435 -8.549 4.799 1.00 1.00 O ATOM 1377 CB THR A 85 -7.642 -10.569 3.583 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.385 -11.903 4.000 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.697 -10.579 2.474 1.00 1.00 C ATOM 0 H THR A 85 -5.451 -11.683 3.922 1.00 1.00 H new ATOM 0 HA THR A 85 -6.417 -9.776 1.996 1.00 1.00 H new ATOM 0 HB THR A 85 -8.016 -9.981 4.421 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.188 -12.458 3.217 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.617 -11.027 2.851 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.896 -9.557 2.152 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.330 -11.161 1.628 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.564 -7.525 3.220 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.328 -6.193 3.849 1.00 1.00 C ATOM 1389 C ILE A 86 -7.648 -5.419 3.916 1.00 1.00 C ATOM 1390 O ILE A 86 -8.496 -5.547 3.054 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.289 -5.422 3.008 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.970 -4.324 2.175 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.581 -6.399 2.064 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.978 -3.748 1.163 1.00 1.00 C ATOM 0 H ILE A 86 -7.112 -7.508 2.360 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.947 -6.316 4.863 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.570 -4.957 3.682 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.836 -4.734 1.656 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.336 -3.533 2.830 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.846 -5.860 1.467 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -4.079 -7.170 2.648 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.314 -6.863 1.404 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.467 -2.971 0.576 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.125 -3.321 1.692 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.634 -4.541 0.499 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.821 -4.605 4.923 1.00 1.00 N ATOM 1407 CA CYS A 87 -9.073 -3.810 5.037 1.00 1.00 C ATOM 1408 C CYS A 87 -8.760 -2.367 4.645 1.00 1.00 C ATOM 1409 O CYS A 87 -7.753 -1.815 5.043 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.582 -3.863 6.482 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.339 -3.434 6.526 1.00 1.00 S ATOM 0 H CYS A 87 -7.145 -4.458 5.673 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.843 -4.215 4.380 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.431 -4.861 6.895 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.013 -3.171 7.104 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.591 -1.754 3.851 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.309 -0.351 3.428 1.00 1.00 C ATOM 1418 C ILE A 88 -10.632 0.402 3.256 1.00 1.00 C ATOM 1419 O ILE A 88 -11.668 -0.191 3.038 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.506 -0.376 2.108 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.033 0.677 1.127 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.622 -1.756 1.455 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.090 0.786 -0.077 1.00 1.00 C ATOM 0 H ILE A 88 -10.449 -2.159 3.477 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.718 0.164 4.185 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.465 -0.156 2.343 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.034 0.406 0.792 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.114 1.643 1.625 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.054 -1.767 0.525 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.226 -2.513 2.132 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.669 -1.971 1.243 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.470 1.536 -0.770 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.097 1.078 0.264 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.032 -0.178 -0.582 1.00 1.00 H new ATOM 1435 N THR A 89 -10.604 1.708 3.353 1.00 1.00 N ATOM 1436 CA THR A 89 -11.862 2.494 3.192 1.00 1.00 C ATOM 1437 C THR A 89 -11.900 3.098 1.786 1.00 1.00 C ATOM 1438 O THR A 89 -10.970 3.760 1.352 1.00 1.00 O ATOM 1439 CB THR A 89 -11.914 3.602 4.252 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.485 3.082 5.444 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.763 4.775 3.751 1.00 1.00 C ATOM 0 H THR A 89 -9.767 2.261 3.536 1.00 1.00 H new ATOM 0 HA THR A 89 -12.727 1.844 3.324 1.00 1.00 H new ATOM 0 HB THR A 89 -10.902 3.956 4.448 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.519 3.786 6.125 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.792 5.554 4.512 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.325 5.177 2.837 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.776 4.430 3.547 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.976 2.862 1.075 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.116 3.397 -0.312 1.00 1.00 C ATOM 1451 C CYS A 90 -14.408 4.214 -0.413 1.00 1.00 C ATOM 1452 O CYS A 90 -15.412 3.875 0.181 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.179 2.220 -1.288 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.944 2.819 -2.977 1.00 1.00 S ATOM 0 H CYS A 90 -13.772 2.314 1.403 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.266 4.035 -0.554 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.410 1.488 -1.041 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.140 1.714 -1.201 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.392 5.288 -1.160 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.620 6.126 -1.292 1.00 1.00 C ATOM 1461 C VAL A 91 -16.531 5.547 -2.384 1.00 1.00 C ATOM 1462 O VAL A 91 -16.639 4.347 -2.538 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.209 7.569 -1.635 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.803 7.676 -3.115 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.378 8.526 -1.338 1.00 1.00 C ATOM 0 H VAL A 91 -13.582 5.620 -1.684 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.172 6.127 -0.352 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.352 7.846 -1.021 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.515 8.703 -3.340 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -13.961 7.012 -3.310 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.645 7.389 -3.745 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -16.084 9.547 -1.582 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -17.241 8.244 -1.940 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.638 8.466 -0.281 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.193 6.385 -3.137 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.101 5.878 -4.206 1.00 1.00 C ATOM 1477 C ASN A 92 -17.393 4.807 -5.025 1.00 1.00 C ATOM 1478 O ASN A 92 -17.950 3.776 -5.346 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.511 7.035 -5.121 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.393 8.013 -4.344 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -18.904 8.960 -3.761 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.684 7.823 -4.312 1.00 1.00 N ATOM 0 H ASN A 92 -17.144 7.401 -3.057 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.989 5.446 -3.745 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.625 7.547 -5.496 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -19.050 6.653 -5.988 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.282 8.470 -3.798 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -21.095 7.028 -4.801 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.170 5.050 -5.356 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.393 4.060 -6.154 1.00 1.00 C ATOM 1491 C GLN A 93 -13.941 4.525 -6.268 1.00 1.00 C ATOM 1492 O GLN A 93 -13.359 4.530 -7.334 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.006 3.929 -7.552 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.032 5.299 -8.236 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.007 5.262 -9.415 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.678 5.691 -10.503 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -18.202 4.766 -9.245 1.00 1.00 N ATOM 0 H GLN A 93 -15.661 5.899 -5.109 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.424 3.090 -5.658 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.426 3.225 -8.149 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.017 3.529 -7.480 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.334 6.067 -7.524 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.033 5.563 -8.584 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -18.479 4.405 -8.332 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.859 4.739 -10.025 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.353 4.910 -5.169 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.936 5.376 -5.186 1.00 1.00 C ATOM 1508 C LEU A 94 -11.297 5.049 -3.827 1.00 1.00 C ATOM 1509 O LEU A 94 -11.725 5.555 -2.809 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.896 6.896 -5.405 1.00 1.00 C ATOM 1511 CG LEU A 94 -12.189 7.240 -6.880 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.652 7.672 -7.036 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.276 8.386 -7.329 1.00 1.00 C ATOM 0 H LEU A 94 -13.797 4.922 -4.251 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.393 4.880 -5.991 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.629 7.381 -4.760 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.917 7.284 -5.123 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.005 6.358 -7.494 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.851 7.913 -8.080 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.307 6.860 -6.720 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.840 8.550 -6.419 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.483 8.629 -8.371 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.461 9.263 -6.708 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.234 8.082 -7.227 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.286 4.212 -3.797 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.609 3.832 -2.523 1.00 1.00 C ATOM 1527 C PRO A 95 -8.706 4.960 -2.016 1.00 1.00 C ATOM 1528 O PRO A 95 -7.962 5.546 -2.776 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.785 2.600 -2.908 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.506 2.751 -4.368 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.675 3.542 -4.961 1.00 1.00 C ATOM 0 HA PRO A 95 -10.313 3.637 -1.714 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.860 2.551 -2.334 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.335 1.681 -2.706 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.564 3.274 -4.530 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.416 1.776 -4.847 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.332 4.264 -5.702 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.387 2.886 -5.462 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.775 5.293 -0.750 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.922 6.407 -0.250 1.00 1.00 C ATOM 1541 C ILE A 96 -7.444 6.163 1.188 1.00 1.00 C ATOM 1542 O ILE A 96 -6.544 6.839 1.647 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.725 7.713 -0.309 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.052 7.553 0.460 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.027 8.054 -1.771 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.887 7.989 1.920 1.00 1.00 C ATOM 0 H ILE A 96 -9.375 4.849 -0.055 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.038 6.470 -0.884 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.141 8.513 0.147 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.829 8.150 -0.017 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.378 6.514 0.420 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.598 8.982 -1.818 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.091 8.176 -2.317 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.607 7.248 -2.220 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.835 7.868 2.445 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.126 7.374 2.400 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.583 9.035 1.955 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.018 5.233 1.922 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.537 5.028 3.327 1.00 1.00 C ATOM 1560 C HIS A 97 -7.087 3.577 3.531 1.00 1.00 C ATOM 1561 O HIS A 97 -7.804 2.643 3.239 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.668 5.370 4.310 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.306 6.596 5.110 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -8.680 6.747 6.438 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -7.610 7.734 4.784 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.210 7.937 6.859 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -7.553 8.575 5.890 1.00 1.00 N ATOM 0 H HIS A 97 -8.778 4.624 1.619 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.686 5.683 3.511 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.595 5.543 3.764 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.845 4.528 4.980 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -7.174 7.943 3.818 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -8.348 8.326 7.857 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -7.103 9.488 5.948 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.899 3.393 4.046 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.383 2.016 4.288 1.00 1.00 C ATOM 1578 C PHE A 98 -5.620 1.647 5.754 1.00 1.00 C ATOM 1579 O PHE A 98 -4.973 2.158 6.646 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.881 1.975 3.992 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.316 0.641 4.421 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.764 -0.537 3.814 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.341 0.582 5.427 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.240 -1.774 4.210 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.818 -0.654 5.823 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.268 -1.832 5.215 1.00 1.00 C ATOM 0 H PHE A 98 -5.261 4.144 4.310 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.900 1.309 3.639 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.706 2.130 2.927 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.374 2.783 4.520 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.515 -0.493 3.039 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.994 1.491 5.896 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.586 -2.683 3.740 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.067 -0.699 6.598 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.865 -2.786 5.522 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.548 0.769 6.009 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.832 0.372 7.415 1.00 1.00 C ATOM 1598 C ALA A 99 -5.580 -0.254 8.040 1.00 1.00 C ATOM 1599 O ALA A 99 -4.910 0.354 8.851 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.976 -0.642 7.427 1.00 1.00 C ATOM 0 H ALA A 99 -7.123 0.308 5.303 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.115 1.252 7.993 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.190 -0.937 8.454 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.866 -0.192 6.986 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.690 -1.521 6.849 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.261 -1.466 7.672 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.056 -2.128 8.248 1.00 1.00 C ATOM 1608 C GLY A 100 -3.799 -3.451 7.523 1.00 1.00 C ATOM 1609 O GLY A 100 -4.097 -3.596 6.353 1.00 1.00 O ATOM 0 H GLY A 100 -5.783 -2.026 6.998 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.189 -1.475 8.151 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.202 -2.308 9.313 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.243 -4.418 8.206 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.961 -5.734 7.560 1.00 1.00 C ATOM 1615 C VAL A 101 -4.045 -6.743 7.948 1.00 1.00 C ATOM 1616 O VAL A 101 -4.731 -6.583 8.937 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.599 -6.247 8.031 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.210 -7.484 7.219 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.546 -5.155 7.829 1.00 1.00 C ATOM 0 H VAL A 101 -2.971 -4.352 9.187 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.954 -5.611 6.477 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.656 -6.509 9.088 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.239 -7.849 7.555 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.960 -8.263 7.360 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.153 -7.223 6.162 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.425 -5.519 8.164 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.490 -4.894 6.772 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.822 -4.273 8.407 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.202 -7.784 7.174 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.241 -8.805 7.497 1.00 1.00 C ATOM 1631 C GLY A 102 -6.628 -8.165 7.414 1.00 1.00 C ATOM 1632 O GLY A 102 -6.787 -7.069 6.914 1.00 1.00 O ATOM 0 H GLY A 102 -3.656 -7.971 6.333 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.173 -9.642 6.802 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -5.073 -9.207 8.496 1.00 1.00 H new ATOM 1636 N SER A 103 -7.635 -8.840 7.900 1.00 1.00 N ATOM 1637 CA SER A 103 -9.011 -8.269 7.847 1.00 1.00 C ATOM 1638 C SER A 103 -9.228 -7.337 9.041 1.00 1.00 C ATOM 1639 O SER A 103 -8.769 -7.598 10.136 1.00 1.00 O ATOM 1640 CB SER A 103 -10.033 -9.404 7.894 1.00 1.00 C ATOM 1641 OG SER A 103 -10.235 -9.799 9.246 1.00 1.00 O ATOM 0 H SER A 103 -7.564 -9.762 8.331 1.00 1.00 H new ATOM 0 HA SER A 103 -9.134 -7.705 6.923 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.975 -9.079 7.453 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.681 -10.251 7.304 1.00 1.00 H new ATOM 0 HG SER A 103 -10.891 -10.526 9.280 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.926 -6.253 8.840 1.00 1.00 N ATOM 1648 CA CYS A 104 -10.173 -5.305 9.965 1.00 1.00 C ATOM 1649 C CYS A 104 -11.014 -6.004 11.041 1.00 1.00 C ATOM 1650 O CYS A 104 -11.757 -6.922 10.755 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.924 -4.075 9.441 1.00 1.00 C ATOM 1652 SG CYS A 104 -12.001 -4.561 8.068 1.00 1.00 S ATOM 0 H CYS A 104 -10.336 -5.982 7.946 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.222 -4.990 10.395 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -11.516 -3.630 10.241 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -10.214 -3.317 9.109 1.00 1.00 H new ATOM 1657 N PRO A 105 -10.900 -5.570 12.271 1.00 1.00 N ATOM 1658 CA PRO A 105 -11.665 -6.165 13.407 1.00 1.00 C ATOM 1659 C PRO A 105 -13.162 -5.849 13.320 1.00 1.00 C ATOM 1660 O PRO A 105 -13.871 -6.166 14.262 1.00 1.00 O ATOM 1661 CB PRO A 105 -11.046 -5.511 14.649 1.00 1.00 C ATOM 1662 CG PRO A 105 -10.462 -4.224 14.163 1.00 1.00 C ATOM 1663 CD PRO A 105 -10.029 -4.469 12.716 1.00 1.00 C ATOM 1664 OXT PRO A 105 -13.574 -5.297 12.313 1.00 1.00 O ATOM 0 HA PRO A 105 -11.601 -7.253 13.415 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -11.798 -5.337 15.419 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -10.280 -6.149 15.090 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -11.195 -3.419 14.219 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -9.613 -3.925 14.778 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.164 -3.579 12.102 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -8.976 -4.742 12.654 1.00 1.00 H new TER 1672 PRO A 105