USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 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 74 THR OG1 : rot 180:sc= 0.0481 USER MOD Set 1.2: A 84 SER OG : rot 43:sc= 0.0605 USER MOD Set 2.1: A 44 SER OG : rot -150:sc= 1.19 USER MOD Set 2.2: A 47 THR OG1 : rot 160:sc= 0.851 USER MOD Set 3.1: A 38 ASN : amide:sc= -3.14! C(o=-2.2!,f=-3.7!) USER MOD Set 3.2: A 83 TYR OH : rot -34:sc= 0.9 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0822 (180deg=-0.0822) USER MOD Single : A 2 ASN : amide:sc= -2.79! K(o=-2.8!,f=-1.9) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.66) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -15! C(o=-15!,f=-16!) USER MOD Single : A 13 ASN : amide:sc= -1.34 K(o=-1.3,f=0.8) USER MOD Single : A 14 THR OG1 : rot -141:sc= -0.947 USER MOD Single : A 18 ASN : amide:sc= -0.862 K(o=-0.86,f=-2.6) USER MOD Single : A 20 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 21 THR OG1 : rot 56:sc= -1.73 USER MOD Single : A 23 MET CE :methyl -151:sc= -0.031 (180deg=-0.184) USER MOD Single : A 25 ASN : amide:sc= -5.66! C(o=-5.7!,f=-14!) USER MOD Single : A 26 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.86) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -0.0847 (180deg=-0.861) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 110:sc= 0.683 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 69 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -6.16! C(o=-6.2!,f=-13!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 100 TYR OH : rot 78:sc= -1.24! USER MOD Single : A 103 HIS : no HE2:sc= -9.17! C(o=-9.2!,f=-7.2!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -4.364 4.758 6.783 1.00 12.00 N HETATM 2 CA PCA A 1 -2.911 4.877 7.159 1.00 12.00 C HETATM 3 CB PCA A 1 -2.822 5.742 8.416 1.00 12.00 C HETATM 4 CG PCA A 1 -4.240 6.193 8.677 1.00 12.00 C HETATM 5 CD PCA A 1 -5.069 5.540 7.578 1.00 12.00 C HETATM 6 OE PCA A 1 -6.264 5.724 7.446 1.00 12.00 O HETATM 7 C PCA A 1 -2.323 3.485 7.429 1.00 12.00 C HETATM 8 O PCA A 1 -1.126 3.277 7.302 1.00 12.00 O HETATM 0 H2 PCA A 1 -4.754 5.705 6.602 1.00 12.00 H new HETATM 0 HA PCA A 1 -2.343 5.332 6.348 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -2.426 5.175 9.259 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -2.158 6.593 8.264 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -4.578 5.881 9.665 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -4.322 7.279 8.641 1.00 12.00 H new ATOM 15 N ASN A 2 -3.163 2.536 7.799 1.00 12.00 N ATOM 16 CA ASN A 2 -2.684 1.148 8.087 1.00 12.00 C ATOM 17 C ASN A 2 -2.939 0.257 6.853 1.00 12.00 C ATOM 18 O ASN A 2 -3.795 0.548 6.038 1.00 12.00 O ATOM 19 CB ASN A 2 -3.425 0.627 9.326 1.00 12.00 C ATOM 20 CG ASN A 2 -3.037 -0.824 9.622 1.00 12.00 C ATOM 21 OD1 ASN A 2 -1.869 -1.163 9.649 1.00 12.00 O ATOM 22 ND2 ASN A 2 -3.977 -1.697 9.858 1.00 12.00 N ATOM 0 H ASN A 2 -4.168 2.672 7.913 1.00 12.00 H new ATOM 0 HA ASN A 2 -1.613 1.136 8.291 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -3.190 1.254 10.186 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.501 0.695 9.167 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -3.733 -2.665 10.066 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -4.956 -1.411 9.835 1.00 12.00 H new ATOM 29 N TRP A 3 -2.178 -0.809 6.718 1.00 12.00 N ATOM 30 CA TRP A 3 -2.311 -1.740 5.534 1.00 12.00 C ATOM 31 C TRP A 3 -3.613 -2.561 5.637 1.00 12.00 C ATOM 32 O TRP A 3 -4.162 -2.974 4.631 1.00 12.00 O ATOM 33 CB TRP A 3 -1.119 -2.719 5.537 1.00 12.00 C ATOM 34 CG TRP A 3 -0.316 -2.681 4.266 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.020 -2.467 4.240 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.719 -2.901 2.867 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.473 -2.571 2.942 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.446 -2.832 2.058 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.948 -3.162 2.220 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.397 -3.017 0.676 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.995 -3.346 0.822 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.823 -3.279 0.055 1.00 12.00 C ATOM 0 H TRP A 3 -1.458 -1.081 7.387 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.329 -1.148 4.619 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.467 -2.484 6.378 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.490 -3.732 5.694 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.635 -2.249 5.101 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.450 -2.467 2.668 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.857 -3.221 2.800 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.302 -2.957 0.089 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.941 -3.540 0.339 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.866 -3.430 -1.014 1.00 12.00 H new ATOM 53 N ALA A 4 -4.079 -2.826 6.847 1.00 12.00 N ATOM 54 CA ALA A 4 -5.324 -3.655 7.039 1.00 12.00 C ATOM 55 C ALA A 4 -6.568 -2.856 6.645 1.00 12.00 C ATOM 56 O ALA A 4 -7.321 -3.258 5.767 1.00 12.00 O ATOM 57 CB ALA A 4 -5.429 -4.080 8.505 1.00 12.00 C ATOM 0 H ALA A 4 -3.647 -2.501 7.712 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.262 -4.537 6.402 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.328 -4.679 8.647 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.553 -4.670 8.776 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.480 -3.194 9.138 1.00 12.00 H new ATOM 63 N THR A 5 -6.781 -1.733 7.288 1.00 12.00 N ATOM 64 CA THR A 5 -7.957 -0.871 6.967 1.00 12.00 C ATOM 65 C THR A 5 -7.810 -0.381 5.525 1.00 12.00 C ATOM 66 O THR A 5 -8.793 -0.188 4.829 1.00 12.00 O ATOM 67 CB THR A 5 -7.998 0.323 7.924 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.911 -0.145 9.262 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.309 1.081 7.730 1.00 12.00 C ATOM 0 H THR A 5 -6.181 -1.375 8.031 1.00 12.00 H new ATOM 0 HA THR A 5 -8.883 -1.436 7.077 1.00 12.00 H new ATOM 0 HB THR A 5 -7.160 0.989 7.718 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.935 0.617 9.877 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.341 1.932 8.410 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.375 1.436 6.701 1.00 12.00 H new ATOM 0 HG23 THR A 5 -10.148 0.417 7.940 1.00 12.00 H new ATOM 77 N PHE A 6 -6.578 -0.213 5.074 1.00 12.00 N ATOM 78 CA PHE A 6 -6.323 0.229 3.672 1.00 12.00 C ATOM 79 C PHE A 6 -6.525 -0.961 2.726 1.00 12.00 C ATOM 80 O PHE A 6 -6.817 -0.786 1.556 1.00 12.00 O ATOM 81 CB PHE A 6 -4.910 0.768 3.549 1.00 12.00 C ATOM 82 CG PHE A 6 -4.694 1.319 2.152 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.442 0.434 1.099 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.723 2.710 1.908 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.222 0.921 -0.188 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.501 3.201 0.614 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.248 2.300 -0.433 1.00 12.00 C ATOM 0 H PHE A 6 -5.737 -0.367 5.631 1.00 12.00 H new ATOM 0 HA PHE A 6 -7.020 1.023 3.404 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.743 1.551 4.289 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -4.189 -0.024 3.754 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.418 -0.630 1.284 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.916 3.396 2.719 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -4.031 0.233 -0.999 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.524 4.264 0.424 1.00 12.00 H new ATOM 0 HZ PHE A 6 -4.073 2.672 -1.432 1.00 12.00 H new ATOM 97 N GLN A 7 -6.414 -2.175 3.233 1.00 12.00 N ATOM 98 CA GLN A 7 -6.643 -3.377 2.374 1.00 12.00 C ATOM 99 C GLN A 7 -8.081 -3.305 1.878 1.00 12.00 C ATOM 100 O GLN A 7 -8.367 -3.587 0.730 1.00 12.00 O ATOM 101 CB GLN A 7 -6.432 -4.657 3.182 1.00 12.00 C ATOM 102 CG GLN A 7 -6.531 -5.863 2.249 1.00 12.00 C ATOM 103 CD GLN A 7 -5.239 -5.997 1.439 1.00 12.00 C ATOM 104 OE1 GLN A 7 -5.111 -5.431 0.372 1.00 12.00 O ATOM 105 NE2 GLN A 7 -4.267 -6.733 1.906 1.00 12.00 N ATOM 0 H GLN A 7 -6.175 -2.378 4.204 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.942 -3.392 1.539 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.457 -4.638 3.668 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.180 -4.730 3.971 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -6.704 -6.770 2.828 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -7.382 -5.747 1.578 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.373 -7.209 2.802 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -3.402 -6.832 1.375 1.00 12.00 H new ATOM 114 N GLN A 8 -8.971 -2.863 2.739 1.00 12.00 N ATOM 115 CA GLN A 8 -10.395 -2.691 2.339 1.00 12.00 C ATOM 116 C GLN A 8 -10.486 -1.409 1.509 1.00 12.00 C ATOM 117 O GLN A 8 -11.255 -1.327 0.556 1.00 12.00 O ATOM 118 CB GLN A 8 -11.283 -2.563 3.585 1.00 12.00 C ATOM 119 CG GLN A 8 -12.038 -3.874 3.809 1.00 12.00 C ATOM 120 CD GLN A 8 -11.080 -4.930 4.366 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.417 -4.702 5.360 1.00 12.00 O ATOM 122 NE2 GLN A 8 -10.977 -6.084 3.763 1.00 12.00 N ATOM 0 H GLN A 8 -8.764 -2.614 3.706 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.735 -3.552 1.764 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.673 -2.329 4.457 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.988 -1.741 3.459 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.864 -3.716 4.503 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -12.472 -4.221 2.871 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -11.533 -6.275 2.929 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.341 -6.794 4.126 1.00 12.00 H new ATOM 131 N LYS A 9 -9.687 -0.412 1.874 1.00 12.00 N ATOM 132 CA LYS A 9 -9.674 0.902 1.150 1.00 12.00 C ATOM 133 C LYS A 9 -9.682 0.686 -0.370 1.00 12.00 C ATOM 134 O LYS A 9 -10.560 1.195 -1.051 1.00 12.00 O ATOM 135 CB LYS A 9 -8.442 1.737 1.587 1.00 12.00 C ATOM 136 CG LYS A 9 -8.411 3.080 0.857 1.00 12.00 C ATOM 137 CD LYS A 9 -9.411 4.040 1.508 1.00 12.00 C ATOM 138 CE LYS A 9 -10.060 4.922 0.435 1.00 12.00 C ATOM 139 NZ LYS A 9 -11.541 4.776 0.504 1.00 12.00 N ATOM 0 H LYS A 9 -9.036 -0.465 2.658 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.576 1.455 1.411 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.473 1.904 2.664 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.528 1.182 1.377 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.407 3.503 0.895 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.658 2.940 -0.195 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -10.177 3.476 2.040 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -8.904 4.662 2.245 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.779 5.964 0.586 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -9.701 4.635 -0.553 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -11.983 5.374 -0.223 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -11.800 3.782 0.340 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -11.875 5.070 1.444 1.00 12.00 H new ATOM 153 N HIS A 10 -8.717 -0.040 -0.909 1.00 12.00 N ATOM 154 CA HIS A 10 -8.687 -0.250 -2.393 1.00 12.00 C ATOM 155 C HIS A 10 -9.053 -1.664 -2.828 1.00 12.00 C ATOM 156 O HIS A 10 -9.116 -1.913 -4.024 1.00 12.00 O ATOM 157 CB HIS A 10 -7.325 0.167 -2.946 1.00 12.00 C ATOM 158 CG HIS A 10 -7.357 1.653 -2.984 1.00 12.00 C ATOM 159 ND1 HIS A 10 -7.901 2.324 -4.060 1.00 12.00 N ATOM 160 CD2 HIS A 10 -7.094 2.599 -2.034 1.00 12.00 C ATOM 161 CE1 HIS A 10 -7.970 3.617 -3.730 1.00 12.00 C ATOM 162 NE2 HIS A 10 -7.490 3.842 -2.502 1.00 12.00 N ATOM 0 H HIS A 10 -7.962 -0.488 -0.389 1.00 12.00 H new ATOM 0 HA HIS A 10 -9.466 0.385 -2.816 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.515 -0.193 -2.311 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -7.160 -0.249 -3.940 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -6.647 2.408 -1.069 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -8.365 4.387 -4.376 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -7.429 4.736 -2.015 1.00 12.00 H new ATOM 170 N ILE A 11 -9.281 -2.595 -1.914 1.00 12.00 N ATOM 171 CA ILE A 11 -9.621 -3.984 -2.373 1.00 12.00 C ATOM 172 C ILE A 11 -10.973 -4.495 -1.842 1.00 12.00 C ATOM 173 O ILE A 11 -11.048 -5.503 -1.146 1.00 12.00 O ATOM 174 CB ILE A 11 -8.479 -4.949 -2.004 1.00 12.00 C ATOM 175 CG1 ILE A 11 -7.160 -4.419 -2.591 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.774 -6.350 -2.561 1.00 12.00 C ATOM 177 CD1 ILE A 11 -7.210 -4.413 -4.128 1.00 12.00 C ATOM 0 H ILE A 11 -9.247 -2.456 -0.904 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.730 -3.943 -3.457 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.395 -5.014 -0.919 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.973 -3.409 -2.225 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -6.330 -5.040 -2.252 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.961 -7.026 -2.295 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.707 -6.721 -2.137 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.863 -6.299 -3.646 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -6.267 -4.034 -4.521 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.373 -5.428 -4.491 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -8.026 -3.773 -4.463 1.00 12.00 H new ATOM 189 N ILE A 12 -12.047 -3.854 -2.254 1.00 12.00 N ATOM 190 CA ILE A 12 -13.410 -4.343 -1.887 1.00 12.00 C ATOM 191 C ILE A 12 -13.899 -5.147 -3.111 1.00 12.00 C ATOM 192 O ILE A 12 -14.915 -4.838 -3.706 1.00 12.00 O ATOM 193 CB ILE A 12 -14.356 -3.164 -1.607 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.655 -2.118 -0.733 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.596 -3.679 -0.876 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.932 -1.100 -1.622 1.00 12.00 C ATOM 0 H ILE A 12 -12.033 -3.012 -2.830 1.00 12.00 H new ATOM 0 HA ILE A 12 -13.389 -4.949 -0.982 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.642 -2.704 -2.553 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -14.384 -1.610 -0.102 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.942 -2.605 -0.068 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -16.271 -2.847 -0.674 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -16.104 -4.417 -1.497 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.298 -4.141 0.065 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.435 -0.359 -0.996 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -12.191 -1.613 -2.234 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.655 -0.603 -2.269 1.00 12.00 H new ATOM 208 N ASN A 13 -13.128 -6.154 -3.505 1.00 12.00 N ATOM 209 CA ASN A 13 -13.456 -6.990 -4.714 1.00 12.00 C ATOM 210 C ASN A 13 -14.873 -7.576 -4.615 1.00 12.00 C ATOM 211 O ASN A 13 -15.067 -8.707 -4.199 1.00 12.00 O ATOM 212 CB ASN A 13 -12.424 -8.126 -4.866 1.00 12.00 C ATOM 213 CG ASN A 13 -12.142 -8.788 -3.513 1.00 12.00 C ATOM 214 OD1 ASN A 13 -13.034 -9.324 -2.884 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.922 -8.785 -3.042 1.00 12.00 N ATOM 0 H ASN A 13 -12.271 -6.431 -3.026 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.416 -6.346 -5.593 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -12.797 -8.870 -5.570 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.498 -7.729 -5.282 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.719 -9.232 -2.148 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -10.173 -8.336 -3.569 1.00 12.00 H new ATOM 222 N THR A 14 -15.849 -6.803 -5.036 1.00 12.00 N ATOM 223 CA THR A 14 -17.283 -7.243 -5.035 1.00 12.00 C ATOM 224 C THR A 14 -18.077 -6.262 -5.939 1.00 12.00 C ATOM 225 O THR A 14 -19.020 -5.626 -5.484 1.00 12.00 O ATOM 226 CB THR A 14 -17.850 -7.216 -3.600 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.470 -6.005 -2.966 1.00 12.00 O ATOM 228 CG2 THR A 14 -17.323 -8.402 -2.793 1.00 12.00 C ATOM 0 H THR A 14 -15.705 -5.857 -5.391 1.00 12.00 H new ATOM 0 HA THR A 14 -17.366 -8.263 -5.410 1.00 12.00 H new ATOM 0 HB THR A 14 -18.937 -7.283 -3.650 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.247 -6.183 -2.028 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.733 -8.366 -1.784 1.00 12.00 H new ATOM 0 HG22 THR A 14 -17.624 -9.332 -3.275 1.00 12.00 H new ATOM 0 HG23 THR A 14 -16.235 -8.354 -2.744 1.00 12.00 H new ATOM 236 N PRO A 15 -17.671 -6.145 -7.208 1.00 12.00 N ATOM 237 CA PRO A 15 -18.340 -5.234 -8.163 1.00 12.00 C ATOM 238 C PRO A 15 -19.687 -5.823 -8.614 1.00 12.00 C ATOM 239 O PRO A 15 -19.796 -6.437 -9.665 1.00 12.00 O ATOM 240 CB PRO A 15 -17.346 -5.126 -9.327 1.00 12.00 C ATOM 241 CG PRO A 15 -16.452 -6.383 -9.256 1.00 12.00 C ATOM 242 CD PRO A 15 -16.534 -6.898 -7.808 1.00 12.00 C ATOM 0 HA PRO A 15 -18.575 -4.259 -7.736 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.870 -5.076 -10.281 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.748 -4.219 -9.244 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.795 -7.143 -9.958 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.423 -6.143 -9.524 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.710 -7.973 -7.779 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.606 -6.712 -7.268 1.00 12.00 H new ATOM 250 N ILE A 16 -20.711 -5.630 -7.809 1.00 12.00 N ATOM 251 CA ILE A 16 -22.076 -6.157 -8.144 1.00 12.00 C ATOM 252 C ILE A 16 -23.053 -4.973 -8.169 1.00 12.00 C ATOM 253 O ILE A 16 -22.639 -3.826 -8.247 1.00 12.00 O ATOM 254 CB ILE A 16 -22.553 -7.199 -7.096 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.363 -7.850 -6.361 1.00 12.00 C ATOM 256 CG2 ILE A 16 -23.355 -8.300 -7.804 1.00 12.00 C ATOM 257 CD1 ILE A 16 -21.877 -8.607 -5.135 1.00 12.00 C ATOM 0 H ILE A 16 -20.657 -5.124 -6.925 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.038 -6.653 -9.114 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.170 -6.679 -6.364 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.837 -8.532 -7.029 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -20.647 -7.086 -6.057 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -23.692 -9.033 -7.071 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -24.220 -7.859 -8.299 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -22.724 -8.791 -8.545 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -21.038 -9.068 -4.614 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -22.383 -7.913 -4.465 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.576 -9.381 -5.452 1.00 12.00 H new ATOM 269 N ILE A 17 -24.340 -5.244 -8.096 1.00 12.00 N ATOM 270 CA ILE A 17 -25.362 -4.142 -8.102 1.00 12.00 C ATOM 271 C ILE A 17 -25.862 -3.913 -6.667 1.00 12.00 C ATOM 272 O ILE A 17 -26.997 -3.519 -6.442 1.00 12.00 O ATOM 273 CB ILE A 17 -26.530 -4.519 -9.028 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.995 -5.948 -8.732 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.069 -4.428 -10.483 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.345 -6.195 -9.405 1.00 12.00 C ATOM 0 H ILE A 17 -24.727 -6.186 -8.032 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.912 -3.221 -8.474 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.359 -3.832 -8.857 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.259 -6.664 -9.097 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -27.080 -6.098 -7.656 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.894 -4.695 -11.143 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.746 -3.410 -10.699 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.238 -5.115 -10.645 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.676 -7.212 -9.194 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -29.079 -5.487 -9.019 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -28.244 -6.062 -10.482 1.00 12.00 H new ATOM 288 N ASN A 18 -24.998 -4.150 -5.702 1.00 12.00 N ATOM 289 CA ASN A 18 -25.359 -3.952 -4.256 1.00 12.00 C ATOM 290 C ASN A 18 -24.147 -3.346 -3.536 1.00 12.00 C ATOM 291 O ASN A 18 -23.240 -4.059 -3.132 1.00 12.00 O ATOM 292 CB ASN A 18 -25.716 -5.304 -3.615 1.00 12.00 C ATOM 293 CG ASN A 18 -26.677 -6.080 -4.520 1.00 12.00 C ATOM 294 OD1 ASN A 18 -26.271 -6.644 -5.517 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.941 -6.136 -4.206 1.00 12.00 N ATOM 0 H ASN A 18 -24.044 -4.477 -5.858 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.220 -3.288 -4.174 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.810 -5.887 -3.449 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.174 -5.143 -2.639 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.591 -6.654 -4.797 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -28.280 -5.662 -3.369 1.00 12.00 H new ATOM 302 N CYS A 19 -24.117 -2.034 -3.403 1.00 12.00 N ATOM 303 CA CYS A 19 -22.944 -1.365 -2.734 1.00 12.00 C ATOM 304 C CYS A 19 -23.011 -1.513 -1.207 1.00 12.00 C ATOM 305 O CYS A 19 -22.006 -1.342 -0.545 1.00 12.00 O ATOM 306 CB CYS A 19 -22.886 0.131 -3.094 1.00 12.00 C ATOM 307 SG CYS A 19 -22.926 0.330 -4.893 1.00 12.00 S ATOM 0 H CYS A 19 -24.849 -1.401 -3.726 1.00 12.00 H new ATOM 0 HA CYS A 19 -22.044 -1.860 -3.098 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.727 0.656 -2.642 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.977 0.577 -2.690 1.00 12.00 H new ATOM 312 N ASN A 20 -24.168 -1.825 -0.640 1.00 12.00 N ATOM 313 CA ASN A 20 -24.265 -1.964 0.860 1.00 12.00 C ATOM 314 C ASN A 20 -23.764 -3.344 1.300 1.00 12.00 C ATOM 315 O ASN A 20 -22.904 -3.448 2.164 1.00 12.00 O ATOM 316 CB ASN A 20 -25.717 -1.759 1.331 1.00 12.00 C ATOM 317 CG ASN A 20 -26.683 -2.583 0.476 1.00 12.00 C ATOM 318 OD1 ASN A 20 -27.105 -2.147 -0.576 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.058 -3.765 0.888 1.00 12.00 N ATOM 0 H ASN A 20 -25.038 -1.987 -1.147 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.638 -1.197 1.315 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.810 -2.050 2.377 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.979 -0.703 1.270 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.704 -4.320 0.326 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.705 -4.133 1.771 1.00 12.00 H new ATOM 326 N THR A 21 -24.287 -4.397 0.707 1.00 12.00 N ATOM 327 CA THR A 21 -23.858 -5.791 1.069 1.00 12.00 C ATOM 328 C THR A 21 -22.335 -5.892 0.994 1.00 12.00 C ATOM 329 O THR A 21 -21.718 -6.615 1.760 1.00 12.00 O ATOM 330 CB THR A 21 -24.493 -6.813 0.103 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.811 -6.191 -1.138 1.00 12.00 O ATOM 332 CG2 THR A 21 -25.768 -7.384 0.729 1.00 12.00 C ATOM 0 H THR A 21 -25.001 -4.348 -0.020 1.00 12.00 H new ATOM 0 HA THR A 21 -24.190 -6.012 2.084 1.00 12.00 H new ATOM 0 HB THR A 21 -23.779 -7.617 -0.078 1.00 12.00 H new ATOM 0 HG1 THR A 21 -24.006 -5.777 -1.512 1.00 12.00 H new ATOM 0 HG21 THR A 21 -26.217 -8.106 0.047 1.00 12.00 H new ATOM 0 HG22 THR A 21 -25.522 -7.878 1.669 1.00 12.00 H new ATOM 0 HG23 THR A 21 -26.474 -6.576 0.918 1.00 12.00 H new ATOM 340 N ILE A 22 -21.733 -5.161 0.077 1.00 12.00 N ATOM 341 CA ILE A 22 -20.247 -5.186 -0.067 1.00 12.00 C ATOM 342 C ILE A 22 -19.607 -4.241 0.958 1.00 12.00 C ATOM 343 O ILE A 22 -18.564 -4.551 1.513 1.00 12.00 O ATOM 344 CB ILE A 22 -19.855 -4.785 -1.492 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.347 -3.368 -1.808 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.491 -5.767 -2.476 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.819 -2.937 -3.183 1.00 12.00 C ATOM 0 H ILE A 22 -22.216 -4.547 -0.578 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.883 -6.196 0.120 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.769 -4.807 -1.580 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.437 -3.340 -1.800 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -20.004 -2.673 -1.041 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -20.218 -5.490 -3.494 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.134 -6.775 -2.266 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.575 -5.737 -2.370 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -20.169 -1.929 -3.408 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.729 -2.949 -3.174 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.183 -3.626 -3.945 1.00 12.00 H new ATOM 359 N MET A 23 -20.228 -3.102 1.223 1.00 12.00 N ATOM 360 CA MET A 23 -19.663 -2.142 2.227 1.00 12.00 C ATOM 361 C MET A 23 -20.485 -2.223 3.528 1.00 12.00 C ATOM 362 O MET A 23 -20.775 -1.220 4.162 1.00 12.00 O ATOM 363 CB MET A 23 -19.640 -0.705 1.645 1.00 12.00 C ATOM 364 CG MET A 23 -21.033 -0.054 1.660 1.00 12.00 C ATOM 365 SD MET A 23 -21.039 1.342 2.814 1.00 12.00 S ATOM 366 CE MET A 23 -22.713 1.098 3.457 1.00 12.00 C ATOM 0 H MET A 23 -21.099 -2.803 0.785 1.00 12.00 H new ATOM 0 HA MET A 23 -18.632 -2.411 2.458 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.947 -0.092 2.221 1.00 12.00 H new ATOM 0 HB3 MET A 23 -19.265 -0.734 0.622 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.297 0.287 0.659 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.785 -0.786 1.955 1.00 12.00 H new ATOM 0 HE1 MET A 23 -23.128 2.058 3.765 1.00 12.00 H new ATOM 0 HE2 MET A 23 -23.342 0.663 2.680 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.679 0.426 4.314 1.00 12.00 H new ATOM 376 N ASP A 24 -20.854 -3.426 3.915 1.00 12.00 N ATOM 377 CA ASP A 24 -21.653 -3.632 5.170 1.00 12.00 C ATOM 378 C ASP A 24 -20.698 -3.780 6.377 1.00 12.00 C ATOM 379 O ASP A 24 -20.815 -4.699 7.176 1.00 12.00 O ATOM 380 CB ASP A 24 -22.519 -4.899 5.002 1.00 12.00 C ATOM 381 CG ASP A 24 -23.916 -4.558 4.444 1.00 12.00 C ATOM 382 OD1 ASP A 24 -24.225 -3.385 4.277 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.664 -5.491 4.198 1.00 12.00 O ATOM 0 H ASP A 24 -20.632 -4.283 3.408 1.00 12.00 H new ATOM 0 HA ASP A 24 -22.301 -2.774 5.350 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -22.018 -5.597 4.331 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -22.623 -5.401 5.964 1.00 12.00 H new ATOM 388 N ASN A 25 -19.762 -2.860 6.513 1.00 12.00 N ATOM 389 CA ASN A 25 -18.794 -2.898 7.656 1.00 12.00 C ATOM 390 C ASN A 25 -18.797 -1.539 8.358 1.00 12.00 C ATOM 391 O ASN A 25 -19.237 -0.548 7.798 1.00 12.00 O ATOM 392 CB ASN A 25 -17.379 -3.202 7.145 1.00 12.00 C ATOM 393 CG ASN A 25 -16.449 -3.449 8.336 1.00 12.00 C ATOM 394 OD1 ASN A 25 -15.392 -2.862 8.432 1.00 12.00 O ATOM 395 ND2 ASN A 25 -16.802 -4.308 9.254 1.00 12.00 N ATOM 0 H ASN A 25 -19.630 -2.078 5.871 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.094 -3.681 8.353 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.396 -4.077 6.495 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.009 -2.368 6.548 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -16.189 -4.484 10.050 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -17.691 -4.803 9.175 1.00 12.00 H new ATOM 402 N ASN A 26 -18.312 -1.498 9.580 1.00 12.00 N ATOM 403 CA ASN A 26 -18.279 -0.210 10.351 1.00 12.00 C ATOM 404 C ASN A 26 -17.164 0.710 9.829 1.00 12.00 C ATOM 405 O ASN A 26 -17.087 1.861 10.230 1.00 12.00 O ATOM 406 CB ASN A 26 -18.039 -0.509 11.832 1.00 12.00 C ATOM 407 CG ASN A 26 -16.797 -1.389 11.990 1.00 12.00 C ATOM 408 OD1 ASN A 26 -16.893 -2.601 11.984 1.00 12.00 O ATOM 409 ND2 ASN A 26 -15.627 -0.828 12.136 1.00 12.00 N ATOM 0 H ASN A 26 -17.936 -2.305 10.078 1.00 12.00 H new ATOM 0 HA ASN A 26 -19.236 0.296 10.223 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -17.909 0.422 12.384 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -18.908 -1.012 12.256 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -14.794 -1.407 12.245 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -15.546 0.189 12.141 1.00 12.00 H new ATOM 416 N ILE A 27 -16.300 0.222 8.952 1.00 12.00 N ATOM 417 CA ILE A 27 -15.185 1.081 8.422 1.00 12.00 C ATOM 418 C ILE A 27 -15.688 2.016 7.301 1.00 12.00 C ATOM 419 O ILE A 27 -14.928 2.824 6.793 1.00 12.00 O ATOM 420 CB ILE A 27 -14.054 0.187 7.881 1.00 12.00 C ATOM 421 CG1 ILE A 27 -14.530 -0.591 6.640 1.00 12.00 C ATOM 422 CG2 ILE A 27 -13.620 -0.800 8.968 1.00 12.00 C ATOM 423 CD1 ILE A 27 -13.370 -1.411 6.059 1.00 12.00 C ATOM 0 H ILE A 27 -16.323 -0.729 8.585 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.810 1.697 9.239 1.00 12.00 H new ATOM 0 HB ILE A 27 -13.212 0.818 7.598 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -15.355 -1.251 6.909 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.908 0.102 5.889 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.819 -1.433 8.586 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -13.263 -0.249 9.838 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -14.468 -1.421 9.255 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -13.715 -1.958 5.182 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.559 -0.742 5.773 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -13.012 -2.116 6.809 1.00 12.00 H new ATOM 435 N TYR A 28 -16.945 1.901 6.908 1.00 12.00 N ATOM 436 CA TYR A 28 -17.490 2.771 5.806 1.00 12.00 C ATOM 437 C TYR A 28 -18.544 3.758 6.363 1.00 12.00 C ATOM 438 O TYR A 28 -19.624 3.906 5.801 1.00 12.00 O ATOM 439 CB TYR A 28 -18.125 1.874 4.730 1.00 12.00 C ATOM 440 CG TYR A 28 -17.091 0.899 4.246 1.00 12.00 C ATOM 441 CD1 TYR A 28 -16.004 1.363 3.502 1.00 12.00 C ATOM 442 CD2 TYR A 28 -17.207 -0.462 4.550 1.00 12.00 C ATOM 443 CE1 TYR A 28 -15.033 0.469 3.058 1.00 12.00 C ATOM 444 CE2 TYR A 28 -16.232 -1.358 4.105 1.00 12.00 C ATOM 445 CZ TYR A 28 -15.145 -0.893 3.358 1.00 12.00 C ATOM 446 OH TYR A 28 -14.186 -1.778 2.918 1.00 12.00 O ATOM 0 H TYR A 28 -17.615 1.242 7.304 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.677 3.352 5.371 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.984 1.342 5.140 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.491 2.479 3.901 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.917 2.414 3.271 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -18.048 -0.819 5.127 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -14.193 0.827 2.482 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -16.318 -2.409 4.338 1.00 12.00 H new ATOM 0 HH TYR A 28 -14.416 -2.683 3.214 1.00 12.00 H new ATOM 456 N ILE A 29 -18.246 4.439 7.463 1.00 12.00 N ATOM 457 CA ILE A 29 -19.241 5.407 8.046 1.00 12.00 C ATOM 458 C ILE A 29 -18.518 6.539 8.766 1.00 12.00 C ATOM 459 O ILE A 29 -17.490 6.343 9.393 1.00 12.00 O ATOM 460 CB ILE A 29 -20.156 4.690 9.050 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.692 3.391 8.425 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.329 5.619 9.421 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.591 2.652 9.421 1.00 12.00 C ATOM 0 H ILE A 29 -17.366 4.363 7.972 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.838 5.813 7.229 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.592 4.443 9.950 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.253 3.620 7.519 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.860 2.751 8.131 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.981 5.114 10.134 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.941 6.534 9.869 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.895 5.867 8.523 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.963 1.735 8.964 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -21.018 2.406 10.315 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -22.433 3.289 9.693 1.00 12.00 H new ATOM 475 N VAL A 30 -19.085 7.717 8.690 1.00 12.00 N ATOM 476 CA VAL A 30 -18.504 8.919 9.376 1.00 12.00 C ATOM 477 C VAL A 30 -19.394 9.242 10.587 1.00 12.00 C ATOM 478 O VAL A 30 -20.472 8.678 10.722 1.00 12.00 O ATOM 479 CB VAL A 30 -18.500 10.094 8.381 1.00 12.00 C ATOM 480 CG1 VAL A 30 -17.859 11.328 9.016 1.00 12.00 C ATOM 481 CG2 VAL A 30 -17.699 9.698 7.142 1.00 12.00 C ATOM 0 H VAL A 30 -19.944 7.903 8.172 1.00 12.00 H new ATOM 0 HA VAL A 30 -17.483 8.736 9.710 1.00 12.00 H new ATOM 0 HB VAL A 30 -19.529 10.329 8.107 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -17.864 12.150 8.300 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -18.424 11.616 9.903 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -16.831 11.099 9.299 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -17.692 10.526 6.433 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -16.675 9.460 7.431 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -18.157 8.825 6.676 1.00 12.00 H new ATOM 491 N GLY A 31 -18.965 10.127 11.469 1.00 12.00 N ATOM 492 CA GLY A 31 -19.798 10.463 12.666 1.00 12.00 C ATOM 493 C GLY A 31 -20.706 11.642 12.325 1.00 12.00 C ATOM 494 O GLY A 31 -20.636 12.694 12.937 1.00 12.00 O ATOM 0 H GLY A 31 -18.077 10.625 11.406 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -20.396 9.601 12.963 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -19.158 10.713 13.512 1.00 12.00 H new ATOM 498 N GLY A 32 -21.566 11.448 11.347 1.00 12.00 N ATOM 499 CA GLY A 32 -22.515 12.513 10.922 1.00 12.00 C ATOM 500 C GLY A 32 -23.827 11.864 10.476 1.00 12.00 C ATOM 501 O GLY A 32 -24.856 12.060 11.104 1.00 12.00 O ATOM 0 H GLY A 32 -21.645 10.578 10.821 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -22.698 13.204 11.745 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -22.087 13.095 10.106 1.00 12.00 H new ATOM 505 N GLN A 33 -23.797 11.090 9.402 1.00 12.00 N ATOM 506 CA GLN A 33 -25.045 10.416 8.906 1.00 12.00 C ATOM 507 C GLN A 33 -24.684 9.377 7.834 1.00 12.00 C ATOM 508 O GLN A 33 -24.635 8.188 8.104 1.00 12.00 O ATOM 509 CB GLN A 33 -25.989 11.470 8.306 1.00 12.00 C ATOM 510 CG GLN A 33 -26.986 11.950 9.365 1.00 12.00 C ATOM 511 CD GLN A 33 -28.276 12.395 8.675 1.00 12.00 C ATOM 512 OE1 GLN A 33 -28.244 13.193 7.759 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.419 11.908 9.072 1.00 12.00 N ATOM 0 H GLN A 33 -22.960 10.900 8.852 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.540 9.914 9.737 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -25.411 12.315 7.930 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.525 11.047 7.456 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -27.196 11.149 10.074 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -26.560 12.776 9.935 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -29.449 11.238 9.841 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.283 12.197 8.614 1.00 12.00 H new ATOM 522 N CYS A 34 -24.439 9.833 6.618 1.00 12.00 N ATOM 523 CA CYS A 34 -24.087 8.917 5.488 1.00 12.00 C ATOM 524 C CYS A 34 -23.086 9.630 4.573 1.00 12.00 C ATOM 525 O CYS A 34 -23.298 10.771 4.193 1.00 12.00 O ATOM 526 CB CYS A 34 -25.359 8.590 4.696 1.00 12.00 C ATOM 527 SG CYS A 34 -25.218 6.949 3.945 1.00 12.00 S ATOM 0 H CYS A 34 -24.471 10.820 6.364 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.648 7.995 5.870 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -26.226 8.624 5.355 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -25.518 9.341 3.922 1.00 12.00 H new ATOM 532 N LYS A 35 -22.001 8.967 4.226 1.00 12.00 N ATOM 533 CA LYS A 35 -20.969 9.598 3.338 1.00 12.00 C ATOM 534 C LYS A 35 -21.597 9.930 1.981 1.00 12.00 C ATOM 535 O LYS A 35 -22.674 9.457 1.659 1.00 12.00 O ATOM 536 CB LYS A 35 -19.791 8.632 3.149 1.00 12.00 C ATOM 537 CG LYS A 35 -18.474 9.391 3.334 1.00 12.00 C ATOM 538 CD LYS A 35 -17.297 8.432 3.156 1.00 12.00 C ATOM 539 CE LYS A 35 -15.984 9.204 3.309 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.962 10.349 2.352 1.00 12.00 N ATOM 0 H LYS A 35 -21.788 8.014 4.522 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.605 10.517 3.798 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.857 7.816 3.869 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.829 8.185 2.156 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.406 10.203 2.610 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.440 9.844 4.325 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.350 7.633 3.895 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.343 7.961 2.174 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.882 9.569 4.331 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -15.138 8.543 3.121 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -14.984 10.529 2.049 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.545 10.119 1.522 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.342 11.198 2.818 1.00 12.00 H new ATOM 554 N ARG A 36 -20.929 10.754 1.199 1.00 12.00 N ATOM 555 CA ARG A 36 -21.466 11.151 -0.145 1.00 12.00 C ATOM 556 C ARG A 36 -20.762 10.377 -1.270 1.00 12.00 C ATOM 557 O ARG A 36 -21.115 10.535 -2.428 1.00 12.00 O ATOM 558 CB ARG A 36 -21.244 12.650 -0.353 1.00 12.00 C ATOM 559 CG ARG A 36 -22.008 13.435 0.715 1.00 12.00 C ATOM 560 CD ARG A 36 -22.119 14.901 0.295 1.00 12.00 C ATOM 561 NE ARG A 36 -23.312 15.069 -0.581 1.00 12.00 N ATOM 562 CZ ARG A 36 -24.061 16.133 -0.470 1.00 12.00 C ATOM 563 NH1 ARG A 36 -23.621 17.290 -0.886 1.00 12.00 N ATOM 564 NH2 ARG A 36 -25.251 16.040 0.060 1.00 12.00 N ATOM 0 H ARG A 36 -20.029 11.170 1.438 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.530 10.917 -0.175 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.180 12.881 -0.298 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.583 12.944 -1.347 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -23.002 13.009 0.852 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -21.494 13.359 1.673 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -22.206 15.538 1.175 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -21.218 15.210 -0.234 1.00 12.00 H new ATOM 0 HE ARG A 36 -23.544 14.352 -1.268 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -22.691 17.364 -1.298 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -24.207 18.120 -0.799 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -25.595 15.137 0.387 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -25.837 16.870 0.147 1.00 12.00 H new ATOM 578 N VAL A 37 -19.777 9.550 -0.951 1.00 12.00 N ATOM 579 CA VAL A 37 -19.066 8.776 -2.022 1.00 12.00 C ATOM 580 C VAL A 37 -18.295 7.598 -1.416 1.00 12.00 C ATOM 581 O VAL A 37 -17.330 7.775 -0.691 1.00 12.00 O ATOM 582 CB VAL A 37 -18.107 9.708 -2.794 1.00 12.00 C ATOM 583 CG1 VAL A 37 -16.974 10.208 -1.887 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.509 8.941 -3.976 1.00 12.00 C ATOM 0 H VAL A 37 -19.443 9.384 -0.002 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.806 8.377 -2.715 1.00 12.00 H new ATOM 0 HB VAL A 37 -18.670 10.572 -3.147 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.314 10.862 -2.457 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.397 10.760 -1.048 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.406 9.357 -1.512 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -16.830 9.592 -4.527 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -16.961 8.074 -3.607 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.310 8.609 -4.637 1.00 12.00 H new ATOM 594 N ASN A 38 -18.713 6.402 -1.756 1.00 12.00 N ATOM 595 CA ASN A 38 -18.023 5.168 -1.273 1.00 12.00 C ATOM 596 C ASN A 38 -17.272 4.588 -2.471 1.00 12.00 C ATOM 597 O ASN A 38 -17.779 3.741 -3.197 1.00 12.00 O ATOM 598 CB ASN A 38 -19.041 4.152 -0.724 1.00 12.00 C ATOM 599 CG ASN A 38 -19.976 4.837 0.279 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.140 4.505 0.364 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.512 5.781 1.054 1.00 12.00 N ATOM 0 H ASN A 38 -19.518 6.228 -2.358 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.337 5.400 -0.458 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.621 3.727 -1.543 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.519 3.326 -0.241 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -20.128 6.236 1.728 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -18.534 6.063 0.985 1.00 12.00 H new ATOM 608 N THR A 39 -16.080 5.088 -2.702 1.00 12.00 N ATOM 609 CA THR A 39 -15.270 4.640 -3.866 1.00 12.00 C ATOM 610 C THR A 39 -14.563 3.322 -3.555 1.00 12.00 C ATOM 611 O THR A 39 -13.616 3.281 -2.786 1.00 12.00 O ATOM 612 CB THR A 39 -14.227 5.713 -4.195 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.872 6.973 -4.313 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.532 5.366 -5.513 1.00 12.00 C ATOM 0 H THR A 39 -15.633 5.798 -2.121 1.00 12.00 H new ATOM 0 HA THR A 39 -15.932 4.487 -4.718 1.00 12.00 H new ATOM 0 HB THR A 39 -13.484 5.757 -3.398 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.207 7.662 -4.522 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.790 6.130 -5.746 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.039 4.398 -5.421 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.271 5.322 -6.313 1.00 12.00 H new ATOM 622 N PHE A 40 -15.006 2.261 -4.186 1.00 12.00 N ATOM 623 CA PHE A 40 -14.372 0.916 -3.999 1.00 12.00 C ATOM 624 C PHE A 40 -13.423 0.704 -5.186 1.00 12.00 C ATOM 625 O PHE A 40 -13.545 1.396 -6.184 1.00 12.00 O ATOM 626 CB PHE A 40 -15.467 -0.162 -4.000 1.00 12.00 C ATOM 627 CG PHE A 40 -16.569 0.225 -3.037 1.00 12.00 C ATOM 628 CD1 PHE A 40 -16.260 0.544 -1.708 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.900 0.270 -3.474 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.279 0.905 -0.819 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.918 0.633 -2.585 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.607 0.950 -1.257 1.00 12.00 C ATOM 0 H PHE A 40 -15.794 2.270 -4.834 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.829 0.855 -3.056 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.874 -0.279 -5.004 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -15.043 -1.124 -3.714 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -15.235 0.511 -1.369 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -18.140 0.024 -4.498 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -17.040 1.149 0.206 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.943 0.669 -2.923 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.393 1.229 -0.571 1.00 12.00 H new ATOM 642 N ILE A 41 -12.474 -0.213 -5.101 1.00 12.00 N ATOM 643 CA ILE A 41 -11.539 -0.413 -6.252 1.00 12.00 C ATOM 644 C ILE A 41 -11.451 -1.904 -6.587 1.00 12.00 C ATOM 645 O ILE A 41 -11.273 -2.742 -5.718 1.00 12.00 O ATOM 646 CB ILE A 41 -10.172 0.211 -5.897 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.247 1.715 -6.204 1.00 12.00 C ATOM 648 CG2 ILE A 41 -9.026 -0.408 -6.720 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.632 2.484 -4.937 1.00 12.00 C ATOM 0 H ILE A 41 -12.314 -0.818 -4.296 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.904 0.088 -7.148 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.964 0.022 -4.844 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.285 2.068 -6.577 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.980 1.899 -6.989 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -8.082 0.060 -6.439 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.973 -1.479 -6.523 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.210 -0.243 -7.782 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.684 3.550 -5.160 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -11.604 2.140 -4.583 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -9.883 2.311 -4.165 1.00 12.00 H new ATOM 661 N ILE A 42 -11.570 -2.214 -7.859 1.00 12.00 N ATOM 662 CA ILE A 42 -11.498 -3.633 -8.321 1.00 12.00 C ATOM 663 C ILE A 42 -10.174 -3.828 -9.059 1.00 12.00 C ATOM 664 O ILE A 42 -9.999 -3.368 -10.175 1.00 12.00 O ATOM 665 CB ILE A 42 -12.704 -3.957 -9.232 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.578 -5.388 -9.770 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.787 -2.982 -10.413 1.00 12.00 C ATOM 668 CD1 ILE A 42 -12.732 -6.390 -8.622 1.00 12.00 C ATOM 0 H ILE A 42 -11.716 -1.532 -8.603 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.540 -4.315 -7.472 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.611 -3.859 -8.636 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -13.340 -5.570 -10.528 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.610 -5.521 -10.253 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.645 -3.236 -11.035 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.899 -1.965 -10.038 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.876 -3.051 -11.007 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -12.642 -7.405 -9.010 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -11.954 -6.215 -7.879 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -13.711 -6.265 -8.158 1.00 12.00 H new ATOM 680 N SER A 43 -9.238 -4.495 -8.419 1.00 12.00 N ATOM 681 CA SER A 43 -7.896 -4.726 -9.041 1.00 12.00 C ATOM 682 C SER A 43 -7.018 -5.515 -8.065 1.00 12.00 C ATOM 683 O SER A 43 -7.208 -5.449 -6.862 1.00 12.00 O ATOM 684 CB SER A 43 -7.240 -3.373 -9.344 1.00 12.00 C ATOM 685 OG SER A 43 -5.930 -3.585 -9.852 1.00 12.00 O ATOM 0 H SER A 43 -9.350 -4.891 -7.486 1.00 12.00 H new ATOM 0 HA SER A 43 -8.009 -5.290 -9.967 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.838 -2.821 -10.069 1.00 12.00 H new ATOM 0 HB3 SER A 43 -7.197 -2.767 -8.439 1.00 12.00 H new ATOM 0 HG SER A 43 -5.696 -2.858 -10.466 1.00 12.00 H new ATOM 691 N SER A 44 -6.062 -6.259 -8.584 1.00 12.00 N ATOM 692 CA SER A 44 -5.146 -7.076 -7.712 1.00 12.00 C ATOM 693 C SER A 44 -4.500 -6.172 -6.639 1.00 12.00 C ATOM 694 O SER A 44 -3.871 -5.168 -6.937 1.00 12.00 O ATOM 695 CB SER A 44 -4.078 -7.768 -8.579 1.00 12.00 C ATOM 696 OG SER A 44 -3.841 -7.010 -9.762 1.00 12.00 O ATOM 0 H SER A 44 -5.876 -6.336 -9.584 1.00 12.00 H new ATOM 0 HA SER A 44 -5.720 -7.850 -7.202 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.152 -7.873 -8.014 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.407 -8.773 -8.842 1.00 12.00 H new ATOM 0 HG SER A 44 -3.574 -7.612 -10.488 1.00 12.00 H new ATOM 702 N ALA A 45 -4.714 -6.527 -5.389 1.00 12.00 N ATOM 703 CA ALA A 45 -4.206 -5.730 -4.220 1.00 12.00 C ATOM 704 C ALA A 45 -2.742 -5.306 -4.357 1.00 12.00 C ATOM 705 O ALA A 45 -2.451 -4.123 -4.389 1.00 12.00 O ATOM 706 CB ALA A 45 -4.363 -6.565 -2.947 1.00 12.00 C ATOM 0 H ALA A 45 -5.236 -7.362 -5.124 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.797 -4.815 -4.179 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.997 -5.997 -2.092 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -5.415 -6.808 -2.799 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.788 -7.486 -3.043 1.00 12.00 H new ATOM 712 N THR A 46 -1.824 -6.247 -4.374 1.00 12.00 N ATOM 713 CA THR A 46 -0.370 -5.881 -4.441 1.00 12.00 C ATOM 714 C THR A 46 -0.043 -5.136 -5.745 1.00 12.00 C ATOM 715 O THR A 46 0.982 -4.479 -5.835 1.00 12.00 O ATOM 716 CB THR A 46 0.515 -7.126 -4.298 1.00 12.00 C ATOM 717 OG1 THR A 46 0.523 -7.866 -5.513 1.00 12.00 O ATOM 718 CG2 THR A 46 0.002 -8.017 -3.161 1.00 12.00 C ATOM 0 H THR A 46 -2.018 -7.248 -4.345 1.00 12.00 H new ATOM 0 HA THR A 46 -0.160 -5.211 -3.607 1.00 12.00 H new ATOM 0 HB THR A 46 1.530 -6.801 -4.068 1.00 12.00 H new ATOM 0 HG1 THR A 46 1.092 -8.657 -5.410 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.640 -8.896 -3.072 1.00 12.00 H new ATOM 0 HG22 THR A 46 0.020 -7.459 -2.225 1.00 12.00 H new ATOM 0 HG23 THR A 46 -1.019 -8.330 -3.377 1.00 12.00 H new ATOM 726 N THR A 47 -0.907 -5.212 -6.741 1.00 12.00 N ATOM 727 CA THR A 47 -0.647 -4.477 -8.027 1.00 12.00 C ATOM 728 C THR A 47 -0.704 -2.984 -7.716 1.00 12.00 C ATOM 729 O THR A 47 0.089 -2.205 -8.226 1.00 12.00 O ATOM 730 CB THR A 47 -1.674 -4.871 -9.098 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.564 -6.267 -9.333 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.383 -4.119 -10.400 1.00 12.00 C ATOM 0 H THR A 47 -1.774 -5.748 -6.717 1.00 12.00 H new ATOM 0 HA THR A 47 0.332 -4.736 -8.429 1.00 12.00 H new ATOM 0 HB THR A 47 -2.678 -4.619 -8.757 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.385 -6.593 -9.757 1.00 12.00 H new ATOM 0 HG21 THR A 47 -2.115 -4.403 -11.156 1.00 12.00 H new ATOM 0 HG22 THR A 47 -1.444 -3.045 -10.221 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.383 -4.372 -10.751 1.00 12.00 H new ATOM 740 N VAL A 48 -1.599 -2.600 -6.827 1.00 12.00 N ATOM 741 CA VAL A 48 -1.686 -1.171 -6.399 1.00 12.00 C ATOM 742 C VAL A 48 -0.448 -0.883 -5.537 1.00 12.00 C ATOM 743 O VAL A 48 0.130 0.193 -5.586 1.00 12.00 O ATOM 744 CB VAL A 48 -2.957 -0.947 -5.569 1.00 12.00 C ATOM 745 CG1 VAL A 48 -3.083 0.537 -5.218 1.00 12.00 C ATOM 746 CG2 VAL A 48 -4.187 -1.393 -6.375 1.00 12.00 C ATOM 0 H VAL A 48 -2.273 -3.223 -6.381 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.724 -0.510 -7.265 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.897 -1.533 -4.652 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.986 0.696 -4.628 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -2.213 0.849 -4.641 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -3.140 1.124 -6.135 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -5.088 -1.233 -5.783 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.249 -0.812 -7.295 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -4.097 -2.451 -6.620 1.00 12.00 H new ATOM 756 N LYS A 49 -0.032 -1.870 -4.768 1.00 12.00 N ATOM 757 CA LYS A 49 1.177 -1.734 -3.902 1.00 12.00 C ATOM 758 C LYS A 49 2.413 -1.529 -4.796 1.00 12.00 C ATOM 759 O LYS A 49 3.426 -1.020 -4.344 1.00 12.00 O ATOM 760 CB LYS A 49 1.326 -3.022 -3.071 1.00 12.00 C ATOM 761 CG LYS A 49 2.621 -3.003 -2.247 1.00 12.00 C ATOM 762 CD LYS A 49 2.879 -4.407 -1.689 1.00 12.00 C ATOM 763 CE LYS A 49 4.248 -4.458 -1.002 1.00 12.00 C ATOM 764 NZ LYS A 49 4.054 -4.600 0.467 1.00 12.00 N ATOM 0 H LYS A 49 -0.493 -2.778 -4.708 1.00 12.00 H new ATOM 0 HA LYS A 49 1.080 -0.879 -3.233 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.470 -3.130 -2.405 1.00 12.00 H new ATOM 0 HB3 LYS A 49 1.326 -3.888 -3.733 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.458 -2.685 -2.869 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.538 -2.284 -1.432 1.00 12.00 H new ATOM 0 HD2 LYS A 49 2.097 -4.674 -0.978 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.841 -5.140 -2.495 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.830 -5.295 -1.387 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.812 -3.551 -1.220 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 4.981 -4.635 0.938 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 3.514 -3.787 0.826 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 3.532 -5.477 0.665 1.00 12.00 H new ATOM 778 N ALA A 50 2.332 -1.933 -6.055 1.00 12.00 N ATOM 779 CA ALA A 50 3.491 -1.781 -6.987 1.00 12.00 C ATOM 780 C ALA A 50 3.535 -0.352 -7.541 1.00 12.00 C ATOM 781 O ALA A 50 4.608 0.213 -7.693 1.00 12.00 O ATOM 782 CB ALA A 50 3.367 -2.793 -8.135 1.00 12.00 C ATOM 0 H ALA A 50 1.505 -2.362 -6.469 1.00 12.00 H new ATOM 0 HA ALA A 50 4.416 -1.973 -6.444 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.213 -2.680 -8.813 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.360 -3.805 -7.729 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.440 -2.614 -8.679 1.00 12.00 H new ATOM 788 N ILE A 51 2.389 0.237 -7.841 1.00 12.00 N ATOM 789 CA ILE A 51 2.372 1.633 -8.386 1.00 12.00 C ATOM 790 C ILE A 51 2.892 2.617 -7.323 1.00 12.00 C ATOM 791 O ILE A 51 3.344 3.700 -7.658 1.00 12.00 O ATOM 792 CB ILE A 51 0.944 2.014 -8.817 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.951 3.419 -9.436 1.00 12.00 C ATOM 794 CG2 ILE A 51 -0.003 1.992 -7.614 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.736 3.411 -10.752 1.00 12.00 C ATOM 0 H ILE A 51 1.471 -0.193 -7.730 1.00 12.00 H new ATOM 0 HA ILE A 51 3.024 1.683 -9.258 1.00 12.00 H new ATOM 0 HB ILE A 51 0.596 1.289 -9.552 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.072 3.751 -9.616 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.399 4.129 -8.741 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.008 2.264 -7.937 1.00 12.00 H new ATOM 0 HG22 ILE A 51 -0.019 0.992 -7.182 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.343 2.705 -6.866 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.735 4.412 -11.183 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.763 3.099 -10.561 1.00 12.00 H new ATOM 0 HD13 ILE A 51 1.270 2.715 -11.450 1.00 12.00 H new ATOM 807 N CYS A 52 2.826 2.251 -6.051 1.00 12.00 N ATOM 808 CA CYS A 52 3.314 3.164 -4.969 1.00 12.00 C ATOM 809 C CYS A 52 4.700 2.701 -4.481 1.00 12.00 C ATOM 810 O CYS A 52 5.025 2.806 -3.306 1.00 12.00 O ATOM 811 CB CYS A 52 2.311 3.171 -3.802 1.00 12.00 C ATOM 812 SG CYS A 52 2.024 4.876 -3.262 1.00 12.00 S ATOM 0 H CYS A 52 2.454 1.359 -5.725 1.00 12.00 H new ATOM 0 HA CYS A 52 3.401 4.176 -5.363 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.372 2.714 -4.113 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.696 2.576 -2.974 1.00 12.00 H new ATOM 817 N THR A 53 5.519 2.201 -5.384 1.00 12.00 N ATOM 818 CA THR A 53 6.896 1.734 -5.007 1.00 12.00 C ATOM 819 C THR A 53 7.904 2.849 -5.302 1.00 12.00 C ATOM 820 O THR A 53 8.133 3.185 -6.453 1.00 12.00 O ATOM 821 CB THR A 53 7.265 0.492 -5.825 1.00 12.00 C ATOM 822 OG1 THR A 53 6.203 -0.449 -5.762 1.00 12.00 O ATOM 823 CG2 THR A 53 8.541 -0.135 -5.257 1.00 12.00 C ATOM 0 H THR A 53 5.289 2.096 -6.372 1.00 12.00 H new ATOM 0 HA THR A 53 6.915 1.486 -3.946 1.00 12.00 H new ATOM 0 HB THR A 53 7.435 0.778 -6.863 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.766 -0.508 -6.637 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.803 -1.018 -5.839 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.355 0.588 -5.308 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.375 -0.421 -4.219 1.00 12.00 H new ATOM 831 N GLY A 54 8.505 3.423 -4.272 1.00 12.00 N ATOM 832 CA GLY A 54 9.502 4.522 -4.488 1.00 12.00 C ATOM 833 C GLY A 54 10.388 4.699 -3.247 1.00 12.00 C ATOM 834 O GLY A 54 11.593 4.513 -3.314 1.00 12.00 O ATOM 0 H GLY A 54 8.344 3.174 -3.296 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.122 4.293 -5.355 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.982 5.455 -4.706 1.00 12.00 H new ATOM 838 N VAL A 55 9.800 5.068 -2.125 1.00 12.00 N ATOM 839 CA VAL A 55 10.590 5.278 -0.868 1.00 12.00 C ATOM 840 C VAL A 55 9.617 5.253 0.341 1.00 12.00 C ATOM 841 O VAL A 55 8.477 4.842 0.193 1.00 12.00 O ATOM 842 CB VAL A 55 11.373 6.613 -1.008 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.489 7.829 -0.701 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.593 6.609 -0.078 1.00 12.00 C ATOM 0 H VAL A 55 8.798 5.233 -2.030 1.00 12.00 H new ATOM 0 HA VAL A 55 11.321 4.487 -0.700 1.00 12.00 H new ATOM 0 HB VAL A 55 11.702 6.693 -2.044 1.00 12.00 H new ATOM 0 HG11 VAL A 55 11.075 8.742 -0.810 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.648 7.852 -1.394 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.115 7.758 0.320 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.134 7.549 -0.184 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.263 6.495 0.955 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.250 5.780 -0.343 1.00 12.00 H new ATOM 854 N ILE A 56 10.049 5.662 1.530 1.00 12.00 N ATOM 855 CA ILE A 56 9.140 5.630 2.735 1.00 12.00 C ATOM 856 C ILE A 56 8.325 6.940 2.860 1.00 12.00 C ATOM 857 O ILE A 56 7.908 7.317 3.943 1.00 12.00 O ATOM 858 CB ILE A 56 9.989 5.430 3.995 1.00 12.00 C ATOM 859 CG1 ILE A 56 11.027 6.549 4.095 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.706 4.080 3.928 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.491 6.683 5.547 1.00 12.00 C ATOM 0 H ILE A 56 10.989 6.014 1.712 1.00 12.00 H new ATOM 0 HA ILE A 56 8.436 4.806 2.618 1.00 12.00 H new ATOM 0 HB ILE A 56 9.340 5.452 4.871 1.00 12.00 H new ATOM 0 HG12 ILE A 56 11.877 6.330 3.449 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.598 7.490 3.750 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.308 3.943 4.826 1.00 12.00 H new ATOM 0 HG22 ILE A 56 9.969 3.280 3.859 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.352 4.054 3.051 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.231 7.480 5.620 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.637 6.921 6.181 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.936 5.744 5.875 1.00 12.00 H new ATOM 873 N ASN A 57 8.094 7.616 1.753 1.00 12.00 N ATOM 874 CA ASN A 57 7.310 8.907 1.741 1.00 12.00 C ATOM 875 C ASN A 57 7.376 9.472 0.322 1.00 12.00 C ATOM 876 O ASN A 57 8.445 9.845 -0.137 1.00 12.00 O ATOM 877 CB ASN A 57 7.950 9.921 2.689 1.00 12.00 C ATOM 878 CG ASN A 57 6.916 10.978 3.085 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.959 12.095 2.609 1.00 12.00 O ATOM 880 ND2 ASN A 57 5.984 10.669 3.943 1.00 12.00 N ATOM 0 H ASN A 57 8.423 7.321 0.834 1.00 12.00 H new ATOM 0 HA ASN A 57 6.283 8.720 2.055 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.327 9.415 3.578 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.804 10.396 2.207 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.290 11.365 4.215 1.00 12.00 H new ATOM 0 HD22 ASN A 57 5.949 9.731 4.342 1.00 12.00 H new ATOM 887 N MET A 58 6.263 9.515 -0.383 1.00 12.00 N ATOM 888 CA MET A 58 6.294 10.034 -1.794 1.00 12.00 C ATOM 889 C MET A 58 4.892 10.381 -2.308 1.00 12.00 C ATOM 890 O MET A 58 3.902 10.270 -1.607 1.00 12.00 O ATOM 891 CB MET A 58 6.900 8.949 -2.690 1.00 12.00 C ATOM 892 CG MET A 58 7.811 9.584 -3.742 1.00 12.00 C ATOM 893 SD MET A 58 9.293 8.565 -3.944 1.00 12.00 S ATOM 894 CE MET A 58 9.400 8.674 -5.747 1.00 12.00 C ATOM 0 H MET A 58 5.347 9.217 -0.047 1.00 12.00 H new ATOM 0 HA MET A 58 6.890 10.947 -1.814 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.468 8.242 -2.085 1.00 12.00 H new ATOM 0 HB3 MET A 58 6.106 8.384 -3.179 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.283 9.671 -4.692 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.088 10.593 -3.438 1.00 12.00 H new ATOM 0 HE1 MET A 58 10.262 8.105 -6.095 1.00 12.00 H new ATOM 0 HE2 MET A 58 8.492 8.266 -6.191 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.511 9.717 -6.043 1.00 12.00 H new ATOM 904 N ASN A 59 4.837 10.771 -3.563 1.00 12.00 N ATOM 905 CA ASN A 59 3.552 11.117 -4.244 1.00 12.00 C ATOM 906 C ASN A 59 3.642 10.553 -5.668 1.00 12.00 C ATOM 907 O ASN A 59 4.591 10.842 -6.379 1.00 12.00 O ATOM 908 CB ASN A 59 3.392 12.642 -4.280 1.00 12.00 C ATOM 909 CG ASN A 59 1.997 13.010 -4.791 1.00 12.00 C ATOM 910 OD1 ASN A 59 1.001 12.585 -4.239 1.00 12.00 O ATOM 911 ND2 ASN A 59 1.884 13.795 -5.827 1.00 12.00 N ATOM 0 H ASN A 59 5.660 10.865 -4.159 1.00 12.00 H new ATOM 0 HA ASN A 59 2.692 10.700 -3.720 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.544 13.055 -3.283 1.00 12.00 H new ATOM 0 HB3 ASN A 59 4.152 13.081 -4.926 1.00 12.00 H new ATOM 0 HD21 ASN A 59 0.960 14.052 -6.174 1.00 12.00 H new ATOM 0 HD22 ASN A 59 2.720 14.152 -6.290 1.00 12.00 H new ATOM 918 N VAL A 60 2.690 9.729 -6.078 1.00 12.00 N ATOM 919 CA VAL A 60 2.752 9.115 -7.450 1.00 12.00 C ATOM 920 C VAL A 60 1.363 9.151 -8.096 1.00 12.00 C ATOM 921 O VAL A 60 0.382 9.421 -7.430 1.00 12.00 O ATOM 922 CB VAL A 60 3.262 7.669 -7.318 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.304 6.851 -6.452 1.00 12.00 C ATOM 924 CG2 VAL A 60 3.378 7.020 -8.700 1.00 12.00 C ATOM 0 H VAL A 60 1.879 9.459 -5.522 1.00 12.00 H new ATOM 0 HA VAL A 60 3.434 9.677 -8.088 1.00 12.00 H new ATOM 0 HB VAL A 60 4.245 7.691 -6.848 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.674 5.829 -6.365 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.238 7.299 -5.460 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.316 6.841 -6.912 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.740 5.997 -8.593 1.00 12.00 H new ATOM 0 HG22 VAL A 60 2.400 7.010 -9.181 1.00 12.00 H new ATOM 0 HG23 VAL A 60 4.077 7.590 -9.312 1.00 12.00 H new ATOM 934 N LEU A 61 1.283 8.917 -9.395 1.00 12.00 N ATOM 935 CA LEU A 61 -0.038 8.979 -10.098 1.00 12.00 C ATOM 936 C LEU A 61 -0.336 7.698 -10.884 1.00 12.00 C ATOM 937 O LEU A 61 0.286 7.436 -11.901 1.00 12.00 O ATOM 938 CB LEU A 61 -0.015 10.143 -11.091 1.00 12.00 C ATOM 939 CG LEU A 61 0.321 11.440 -10.357 1.00 12.00 C ATOM 940 CD1 LEU A 61 1.136 12.353 -11.274 1.00 12.00 C ATOM 941 CD2 LEU A 61 -0.973 12.146 -9.958 1.00 12.00 C ATOM 0 H LEU A 61 2.078 8.687 -9.991 1.00 12.00 H new ATOM 0 HA LEU A 61 -0.809 9.107 -9.338 1.00 12.00 H new ATOM 0 HB2 LEU A 61 0.723 9.954 -11.871 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -0.983 10.233 -11.583 1.00 12.00 H new ATOM 0 HG LEU A 61 0.903 11.211 -9.465 1.00 12.00 H new ATOM 0 HD11 LEU A 61 1.374 13.278 -10.748 1.00 12.00 H new ATOM 0 HD12 LEU A 61 2.060 11.850 -11.561 1.00 12.00 H new ATOM 0 HD13 LEU A 61 0.556 12.583 -12.168 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -0.736 13.072 -9.434 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -1.554 12.374 -10.852 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -1.554 11.497 -9.303 1.00 12.00 H new ATOM 953 N SER A 62 -1.332 6.943 -10.455 1.00 12.00 N ATOM 954 CA SER A 62 -1.751 5.718 -11.211 1.00 12.00 C ATOM 955 C SER A 62 -2.351 6.229 -12.531 1.00 12.00 C ATOM 956 O SER A 62 -3.527 6.565 -12.598 1.00 12.00 O ATOM 957 CB SER A 62 -2.800 4.955 -10.399 1.00 12.00 C ATOM 958 OG SER A 62 -2.394 4.904 -9.036 1.00 12.00 O ATOM 0 H SER A 62 -1.871 7.128 -9.609 1.00 12.00 H new ATOM 0 HA SER A 62 -0.919 5.038 -11.395 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.770 5.446 -10.483 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.918 3.946 -10.793 1.00 12.00 H new ATOM 0 HG SER A 62 -3.065 4.417 -8.513 1.00 12.00 H new ATOM 964 N THR A 63 -1.523 6.352 -13.558 1.00 12.00 N ATOM 965 CA THR A 63 -1.984 6.912 -14.870 1.00 12.00 C ATOM 966 C THR A 63 -2.576 5.829 -15.767 1.00 12.00 C ATOM 967 O THR A 63 -3.533 6.083 -16.479 1.00 12.00 O ATOM 968 CB THR A 63 -0.798 7.569 -15.589 1.00 12.00 C ATOM 969 OG1 THR A 63 0.384 6.813 -15.358 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.608 8.997 -15.066 1.00 12.00 C ATOM 0 H THR A 63 -0.539 6.083 -13.534 1.00 12.00 H new ATOM 0 HA THR A 63 -2.762 7.648 -14.666 1.00 12.00 H new ATOM 0 HB THR A 63 -0.999 7.600 -16.660 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.138 7.235 -15.820 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.235 9.463 -15.577 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.512 9.577 -15.254 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.411 8.969 -13.994 1.00 12.00 H new ATOM 978 N THR A 64 -2.014 4.632 -15.755 1.00 12.00 N ATOM 979 CA THR A 64 -2.544 3.532 -16.626 1.00 12.00 C ATOM 980 C THR A 64 -4.053 3.358 -16.361 1.00 12.00 C ATOM 981 O THR A 64 -4.854 4.051 -16.966 1.00 12.00 O ATOM 982 CB THR A 64 -1.770 2.233 -16.352 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.391 2.446 -16.619 1.00 12.00 O ATOM 984 CG2 THR A 64 -2.295 1.118 -17.259 1.00 12.00 C ATOM 0 H THR A 64 -1.213 4.376 -15.178 1.00 12.00 H new ATOM 0 HA THR A 64 -2.407 3.786 -17.677 1.00 12.00 H new ATOM 0 HB THR A 64 -1.905 1.943 -15.310 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.107 1.621 -16.444 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.744 0.199 -17.062 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.354 0.956 -17.060 1.00 12.00 H new ATOM 0 HG23 THR A 64 -2.161 1.404 -18.302 1.00 12.00 H new ATOM 992 N ARG A 65 -4.443 2.472 -15.461 1.00 12.00 N ATOM 993 CA ARG A 65 -5.897 2.283 -15.153 1.00 12.00 C ATOM 994 C ARG A 65 -6.064 1.138 -14.154 1.00 12.00 C ATOM 995 O ARG A 65 -5.981 -0.026 -14.515 1.00 12.00 O ATOM 996 CB ARG A 65 -6.678 1.950 -16.436 1.00 12.00 C ATOM 997 CG ARG A 65 -6.059 0.727 -17.124 1.00 12.00 C ATOM 998 CD ARG A 65 -6.411 0.728 -18.613 1.00 12.00 C ATOM 999 NE ARG A 65 -5.158 0.771 -19.417 1.00 12.00 N ATOM 1000 CZ ARG A 65 -4.993 1.699 -20.319 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -4.995 2.954 -19.969 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -4.833 1.370 -21.572 1.00 12.00 N ATOM 0 H ARG A 65 -3.811 1.874 -14.929 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.287 3.208 -14.728 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.722 1.752 -16.195 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.663 2.804 -17.113 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -4.976 0.738 -16.998 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.425 -0.187 -16.656 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -6.986 -0.164 -18.863 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -7.038 1.588 -18.849 1.00 12.00 H new ATOM 0 HE ARG A 65 -4.429 0.075 -19.262 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -5.125 3.210 -18.990 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -4.866 3.680 -20.674 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -4.837 0.387 -21.846 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -4.704 2.095 -22.277 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.313 1.461 -12.906 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.512 0.385 -11.875 1.00 12.00 C ATOM 1018 C PHE A 66 -8.035 0.149 -11.698 1.00 12.00 C ATOM 1019 O PHE A 66 -8.528 0.026 -10.593 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.862 0.813 -10.546 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.357 0.600 -10.610 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.527 1.592 -11.163 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.783 -0.590 -10.121 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.143 1.395 -11.224 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.398 -0.781 -10.188 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.580 0.209 -10.740 1.00 12.00 C ATOM 0 H PHE A 66 -6.387 2.416 -12.556 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.040 -0.544 -12.196 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.081 1.862 -10.346 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.284 0.237 -9.723 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.959 2.507 -11.541 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.413 -1.356 -9.694 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.508 2.160 -11.646 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.961 -1.694 -9.813 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.512 0.058 -10.793 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.760 0.077 -12.821 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.266 -0.154 -12.859 1.00 12.00 C ATOM 1038 C GLN A 67 -10.968 0.053 -11.504 1.00 12.00 C ATOM 1039 O GLN A 67 -10.857 -0.786 -10.621 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.531 -1.586 -13.335 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.128 -1.728 -14.809 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.370 -1.634 -15.697 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.545 -0.673 -16.420 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -12.247 -2.599 -15.674 1.00 12.00 N ATOM 0 H GLN A 67 -8.346 0.174 -13.748 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.678 0.590 -13.541 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.967 -2.292 -12.725 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.586 -1.830 -13.212 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -9.417 -0.947 -15.078 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.627 -2.683 -14.968 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -12.101 -3.406 -15.068 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -13.079 -2.547 -16.262 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.692 1.154 -11.335 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.394 1.390 -10.031 1.00 12.00 C ATOM 1055 C LEU A 68 -13.906 1.113 -10.132 1.00 12.00 C ATOM 1056 O LEU A 68 -14.509 1.195 -11.192 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.169 2.840 -9.527 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.321 3.911 -10.636 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.587 3.698 -11.469 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.425 5.286 -9.969 1.00 12.00 C ATOM 0 H LEU A 68 -11.820 1.883 -12.037 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.962 0.690 -9.316 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.879 3.053 -8.728 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.171 2.915 -9.095 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.456 3.838 -11.295 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.653 4.471 -12.234 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.549 2.718 -11.945 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.462 3.753 -10.821 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.533 6.054 -10.734 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.293 5.306 -9.310 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.523 5.477 -9.387 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.504 0.821 -9.000 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.980 0.585 -8.913 1.00 12.00 C ATOM 1074 C ASN A 69 -16.514 1.655 -7.960 1.00 12.00 C ATOM 1075 O ASN A 69 -16.371 1.531 -6.755 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.273 -0.805 -8.334 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.659 -1.262 -8.792 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.786 -2.268 -9.462 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.708 -0.563 -8.457 1.00 12.00 N ATOM 0 H ASN A 69 -14.015 0.734 -8.109 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.445 0.636 -9.897 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.516 -1.516 -8.664 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.229 -0.775 -7.245 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -19.636 -0.860 -8.757 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -18.600 0.281 -7.895 1.00 12.00 H new ATOM 1086 N THR A 70 -17.068 2.731 -8.486 1.00 12.00 N ATOM 1087 CA THR A 70 -17.539 3.846 -7.595 1.00 12.00 C ATOM 1088 C THR A 70 -19.046 3.814 -7.365 1.00 12.00 C ATOM 1089 O THR A 70 -19.833 3.892 -8.294 1.00 12.00 O ATOM 1090 CB THR A 70 -17.171 5.187 -8.240 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.804 5.164 -8.624 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.404 6.320 -7.237 1.00 12.00 C ATOM 0 H THR A 70 -17.212 2.883 -9.484 1.00 12.00 H new ATOM 0 HA THR A 70 -17.052 3.721 -6.628 1.00 12.00 H new ATOM 0 HB THR A 70 -17.794 5.352 -9.119 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.566 6.020 -9.038 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.142 7.273 -7.697 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.453 6.336 -6.943 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.783 6.159 -6.356 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.430 3.789 -6.109 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.873 3.855 -5.739 1.00 12.00 C ATOM 1102 C CYS A 71 -21.057 5.268 -5.206 1.00 12.00 C ATOM 1103 O CYS A 71 -20.489 5.612 -4.185 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.215 2.827 -4.649 1.00 12.00 C ATOM 1105 SG CYS A 71 -21.135 1.155 -5.345 1.00 12.00 S ATOM 0 H CYS A 71 -18.791 3.725 -5.316 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.523 3.630 -6.584 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.518 2.919 -3.816 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.212 3.020 -4.253 1.00 12.00 H new ATOM 1110 N THR A 72 -21.782 6.102 -5.913 1.00 12.00 N ATOM 1111 CA THR A 72 -21.931 7.531 -5.470 1.00 12.00 C ATOM 1112 C THR A 72 -23.283 7.771 -4.793 1.00 12.00 C ATOM 1113 O THR A 72 -24.301 7.262 -5.227 1.00 12.00 O ATOM 1114 CB THR A 72 -21.795 8.460 -6.689 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.813 7.944 -7.577 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.376 9.859 -6.230 1.00 12.00 C ATOM 0 H THR A 72 -22.275 5.860 -6.772 1.00 12.00 H new ATOM 0 HA THR A 72 -21.147 7.745 -4.743 1.00 12.00 H new ATOM 0 HB THR A 72 -22.756 8.518 -7.201 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.730 8.537 -8.353 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.281 10.513 -7.097 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.130 10.261 -5.553 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.418 9.801 -5.713 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.286 8.562 -3.735 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.553 8.877 -3.005 1.00 12.00 C ATOM 1126 C ARG A 73 -25.398 9.828 -3.855 1.00 12.00 C ATOM 1127 O ARG A 73 -25.081 11.001 -3.975 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.218 9.547 -1.669 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.500 9.756 -0.858 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.019 11.180 -1.071 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.144 11.445 -0.131 1.00 12.00 N ATOM 1132 CZ ARG A 73 -27.943 12.455 -0.340 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -28.804 12.414 -1.319 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -27.874 13.509 0.425 1.00 12.00 N ATOM 0 H ARG A 73 -22.452 9.004 -3.348 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.109 7.958 -2.819 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.518 8.929 -1.107 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -23.728 10.505 -1.845 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.257 9.033 -1.163 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.304 9.585 0.200 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.217 11.899 -0.907 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -26.354 11.306 -2.101 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.289 10.837 0.675 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -28.853 11.592 -1.921 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -29.429 13.204 -1.482 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.196 13.543 1.186 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -28.498 14.299 0.262 1.00 12.00 H new ATOM 1148 N THR A 74 -26.461 9.323 -4.451 1.00 12.00 N ATOM 1149 CA THR A 74 -27.341 10.179 -5.312 1.00 12.00 C ATOM 1150 C THR A 74 -28.821 9.859 -5.035 1.00 12.00 C ATOM 1151 O THR A 74 -29.466 10.550 -4.263 1.00 12.00 O ATOM 1152 CB THR A 74 -27.010 9.928 -6.792 1.00 12.00 C ATOM 1153 OG1 THR A 74 -26.706 8.552 -6.992 1.00 12.00 O ATOM 1154 CG2 THR A 74 -25.805 10.778 -7.200 1.00 12.00 C ATOM 0 H THR A 74 -26.755 8.349 -4.375 1.00 12.00 H new ATOM 0 HA THR A 74 -27.163 11.229 -5.079 1.00 12.00 H new ATOM 0 HB THR A 74 -27.872 10.200 -7.401 1.00 12.00 H new ATOM 0 HG1 THR A 74 -26.497 8.397 -7.937 1.00 12.00 H new ATOM 0 HG21 THR A 74 -25.572 10.599 -8.250 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.038 11.833 -7.055 1.00 12.00 H new ATOM 0 HG23 THR A 74 -24.945 10.509 -6.586 1.00 12.00 H new ATOM 1162 N SER A 75 -29.359 8.830 -5.667 1.00 12.00 N ATOM 1163 CA SER A 75 -30.805 8.461 -5.457 1.00 12.00 C ATOM 1164 C SER A 75 -31.121 7.173 -6.224 1.00 12.00 C ATOM 1165 O SER A 75 -31.185 7.177 -7.443 1.00 12.00 O ATOM 1166 CB SER A 75 -31.690 9.596 -5.978 1.00 12.00 C ATOM 1167 OG SER A 75 -32.817 9.747 -5.122 1.00 12.00 O ATOM 0 H SER A 75 -28.856 8.230 -6.320 1.00 12.00 H new ATOM 0 HA SER A 75 -30.995 8.303 -4.395 1.00 12.00 H new ATOM 0 HB2 SER A 75 -31.122 10.526 -6.018 1.00 12.00 H new ATOM 0 HB3 SER A 75 -32.018 9.379 -6.995 1.00 12.00 H new ATOM 0 HG SER A 75 -33.384 10.475 -5.453 1.00 12.00 H new ATOM 1173 N ILE A 76 -31.320 6.079 -5.513 1.00 12.00 N ATOM 1174 CA ILE A 76 -31.635 4.770 -6.173 1.00 12.00 C ATOM 1175 C ILE A 76 -31.836 3.690 -5.097 1.00 12.00 C ATOM 1176 O ILE A 76 -31.286 3.780 -4.010 1.00 12.00 O ATOM 1177 CB ILE A 76 -30.476 4.384 -7.111 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -30.799 3.076 -7.838 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -29.185 4.209 -6.309 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -31.925 3.314 -8.845 1.00 12.00 C ATOM 0 H ILE A 76 -31.276 6.042 -4.495 1.00 12.00 H new ATOM 0 HA ILE A 76 -32.551 4.858 -6.757 1.00 12.00 H new ATOM 0 HB ILE A 76 -30.343 5.181 -7.842 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -29.912 2.704 -8.350 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -31.096 2.312 -7.119 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -28.372 3.936 -6.982 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -28.940 5.144 -5.805 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -29.321 3.422 -5.567 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -32.154 2.382 -9.362 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -32.814 3.666 -8.321 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -31.611 4.064 -9.571 1.00 12.00 H new ATOM 1192 N THR A 77 -32.619 2.675 -5.400 1.00 12.00 N ATOM 1193 CA THR A 77 -32.889 1.560 -4.424 1.00 12.00 C ATOM 1194 C THR A 77 -33.465 2.141 -3.110 1.00 12.00 C ATOM 1195 O THR A 77 -33.501 3.349 -2.955 1.00 12.00 O ATOM 1196 CB THR A 77 -31.600 0.753 -4.121 1.00 12.00 C ATOM 1197 OG1 THR A 77 -30.454 1.401 -4.664 1.00 12.00 O ATOM 1198 CG2 THR A 77 -31.718 -0.649 -4.729 1.00 12.00 C ATOM 0 H THR A 77 -33.091 2.570 -6.298 1.00 12.00 H new ATOM 0 HA THR A 77 -33.615 0.883 -4.875 1.00 12.00 H new ATOM 0 HB THR A 77 -31.485 0.686 -3.039 1.00 12.00 H new ATOM 0 HG1 THR A 77 -29.653 0.875 -4.459 1.00 12.00 H new ATOM 0 HG21 THR A 77 -30.812 -1.216 -4.516 1.00 12.00 H new ATOM 0 HG22 THR A 77 -32.577 -1.162 -4.296 1.00 12.00 H new ATOM 0 HG23 THR A 77 -31.850 -0.568 -5.808 1.00 12.00 H new ATOM 1206 N PRO A 78 -33.923 1.273 -2.203 1.00 12.00 N ATOM 1207 CA PRO A 78 -34.516 1.715 -0.919 1.00 12.00 C ATOM 1208 C PRO A 78 -33.432 2.093 0.111 1.00 12.00 C ATOM 1209 O PRO A 78 -33.125 3.262 0.286 1.00 12.00 O ATOM 1210 CB PRO A 78 -35.312 0.492 -0.447 1.00 12.00 C ATOM 1211 CG PRO A 78 -34.677 -0.736 -1.138 1.00 12.00 C ATOM 1212 CD PRO A 78 -33.903 -0.209 -2.361 1.00 12.00 C ATOM 0 HA PRO A 78 -35.130 2.609 -1.034 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -35.266 0.394 0.638 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -36.364 0.587 -0.714 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -34.009 -1.261 -0.455 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -35.444 -1.447 -1.443 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -32.883 -0.593 -2.381 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -34.377 -0.516 -3.293 1.00 12.00 H new ATOM 1220 N ARG A 79 -32.874 1.115 0.806 1.00 12.00 N ATOM 1221 CA ARG A 79 -31.833 1.393 1.848 1.00 12.00 C ATOM 1222 C ARG A 79 -30.559 0.571 1.551 1.00 12.00 C ATOM 1223 O ARG A 79 -30.571 -0.246 0.649 1.00 12.00 O ATOM 1224 CB ARG A 79 -32.408 1.001 3.219 1.00 12.00 C ATOM 1225 CG ARG A 79 -32.659 2.260 4.063 1.00 12.00 C ATOM 1226 CD ARG A 79 -34.094 2.259 4.595 1.00 12.00 C ATOM 1227 NE ARG A 79 -34.437 3.629 5.074 1.00 12.00 N ATOM 1228 CZ ARG A 79 -34.819 3.817 6.310 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -33.930 4.000 7.248 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -36.089 3.826 6.605 1.00 12.00 N ATOM 0 H ARG A 79 -33.103 0.128 0.689 1.00 12.00 H new ATOM 0 HA ARG A 79 -31.568 2.450 1.843 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -33.339 0.450 3.088 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -31.715 0.338 3.737 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -31.955 2.296 4.894 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -32.487 3.152 3.460 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -34.786 1.950 3.811 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -34.193 1.540 5.408 1.00 12.00 H new ATOM 0 HE ARG A 79 -34.373 4.422 4.435 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -32.937 3.996 7.017 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -34.229 4.147 8.212 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -36.784 3.686 5.872 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -36.388 3.973 7.569 1.00 12.00 H new ATOM 1244 N PRO A 80 -29.482 0.819 2.300 1.00 12.00 N ATOM 1245 CA PRO A 80 -29.434 1.808 3.412 1.00 12.00 C ATOM 1246 C PRO A 80 -29.464 3.236 2.866 1.00 12.00 C ATOM 1247 O PRO A 80 -30.413 3.971 3.092 1.00 12.00 O ATOM 1248 CB PRO A 80 -28.104 1.508 4.112 1.00 12.00 C ATOM 1249 CG PRO A 80 -27.225 0.769 3.083 1.00 12.00 C ATOM 1250 CD PRO A 80 -28.190 0.127 2.071 1.00 12.00 C ATOM 0 HA PRO A 80 -30.286 1.731 4.088 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -27.623 2.429 4.443 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -28.262 0.894 4.999 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -26.544 1.460 2.586 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -26.611 0.011 3.569 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -27.842 0.265 1.047 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -28.280 -0.947 2.235 1.00 12.00 H new ATOM 1258 N CYS A 81 -28.437 3.620 2.144 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.378 4.994 1.556 1.00 12.00 C ATOM 1260 C CYS A 81 -28.527 4.882 0.023 1.00 12.00 C ATOM 1261 O CYS A 81 -28.256 3.824 -0.521 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.027 5.628 1.899 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.128 6.438 3.516 1.00 12.00 S ATOM 0 H CYS A 81 -27.630 3.032 1.936 1.00 12.00 H new ATOM 0 HA CYS A 81 -29.179 5.613 1.959 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.249 4.865 1.911 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.750 6.354 1.134 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.939 5.958 -0.651 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.097 5.935 -2.125 1.00 12.00 C ATOM 1270 C PRO A 82 -27.722 5.927 -2.794 1.00 12.00 C ATOM 1271 O PRO A 82 -26.983 6.886 -2.690 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.852 7.229 -2.438 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.605 8.176 -1.245 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.273 7.278 -0.040 1.00 12.00 C ATOM 0 HA PRO A 82 -29.625 5.053 -2.488 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.494 7.673 -3.367 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.917 7.036 -2.567 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -28.784 8.861 -1.457 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -30.486 8.786 -1.044 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.436 7.675 0.534 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.119 7.199 0.643 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.379 4.847 -3.472 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.038 4.756 -4.152 1.00 12.00 C ATOM 1284 C TYR A 83 -26.163 4.080 -5.516 1.00 12.00 C ATOM 1285 O TYR A 83 -26.788 3.042 -5.649 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.059 3.945 -3.294 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.369 4.847 -2.302 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.068 5.382 -1.213 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.020 5.152 -2.481 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.406 6.220 -0.306 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.362 5.987 -1.580 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.052 6.521 -0.491 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.397 7.347 0.400 1.00 12.00 O ATOM 0 H TYR A 83 -27.972 4.024 -3.583 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.666 5.772 -4.283 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.594 3.154 -2.768 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.320 3.460 -3.932 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.113 5.150 -1.073 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.483 4.739 -3.322 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -24.941 6.634 0.536 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.318 6.221 -1.725 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.020 8.025 0.736 1.00 12.00 H new ATOM 1303 N SER A 84 -25.534 4.659 -6.515 1.00 12.00 N ATOM 1304 CA SER A 84 -25.556 4.067 -7.898 1.00 12.00 C ATOM 1305 C SER A 84 -24.164 3.515 -8.193 1.00 12.00 C ATOM 1306 O SER A 84 -23.172 4.204 -8.008 1.00 12.00 O ATOM 1307 CB SER A 84 -25.901 5.147 -8.920 1.00 12.00 C ATOM 1308 OG SER A 84 -25.213 6.345 -8.588 1.00 12.00 O ATOM 0 H SER A 84 -25.001 5.525 -6.432 1.00 12.00 H new ATOM 0 HA SER A 84 -26.305 3.277 -7.958 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.621 4.819 -9.921 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.977 5.323 -8.931 1.00 12.00 H new ATOM 0 HG SER A 84 -24.289 6.133 -8.339 1.00 12.00 H new ATOM 1314 N SER A 85 -24.084 2.274 -8.620 1.00 12.00 N ATOM 1315 CA SER A 85 -22.755 1.646 -8.900 1.00 12.00 C ATOM 1316 C SER A 85 -22.332 1.887 -10.350 1.00 12.00 C ATOM 1317 O SER A 85 -23.134 1.810 -11.265 1.00 12.00 O ATOM 1318 CB SER A 85 -22.840 0.142 -8.647 1.00 12.00 C ATOM 1319 OG SER A 85 -23.781 -0.431 -9.546 1.00 12.00 O ATOM 0 H SER A 85 -24.888 1.669 -8.787 1.00 12.00 H new ATOM 0 HA SER A 85 -22.015 2.098 -8.240 1.00 12.00 H new ATOM 0 HB2 SER A 85 -21.861 -0.318 -8.784 1.00 12.00 H new ATOM 0 HB3 SER A 85 -23.140 -0.049 -7.617 1.00 12.00 H new ATOM 0 HG SER A 85 -23.838 -1.397 -9.389 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.061 2.162 -10.546 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.512 2.398 -11.918 1.00 12.00 C ATOM 1327 C ARG A 86 -19.061 1.905 -11.953 1.00 12.00 C ATOM 1328 O ARG A 86 -18.427 1.777 -10.920 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.560 3.893 -12.245 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.789 4.078 -13.747 1.00 12.00 C ATOM 1331 CD ARG A 86 -22.237 3.725 -14.093 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.560 4.236 -15.455 1.00 12.00 N ATOM 1333 CZ ARG A 86 -21.960 3.731 -16.498 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -22.429 2.652 -17.061 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -20.891 4.305 -16.978 1.00 12.00 N ATOM 0 H ARG A 86 -20.371 2.233 -9.798 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.107 1.859 -12.656 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.360 4.374 -11.682 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.627 4.372 -11.946 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -20.577 5.108 -14.033 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.105 3.443 -14.310 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.378 2.645 -14.055 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -22.914 4.161 -13.359 1.00 12.00 H new ATOM 0 HE ARG A 86 -23.249 4.979 -15.572 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -23.265 2.203 -16.686 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -21.960 2.257 -17.876 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -20.524 5.149 -16.538 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -20.422 3.910 -17.793 1.00 12.00 H new ATOM 1349 N THR A 87 -18.543 1.617 -13.128 1.00 12.00 N ATOM 1350 CA THR A 87 -17.130 1.116 -13.245 1.00 12.00 C ATOM 1351 C THR A 87 -16.457 1.762 -14.457 1.00 12.00 C ATOM 1352 O THR A 87 -17.111 2.060 -15.443 1.00 12.00 O ATOM 1353 CB THR A 87 -17.149 -0.405 -13.427 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.992 -0.989 -12.444 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.730 -0.959 -13.280 1.00 12.00 C ATOM 0 H THR A 87 -19.040 1.708 -14.014 1.00 12.00 H new ATOM 0 HA THR A 87 -16.576 1.373 -12.342 1.00 12.00 H new ATOM 0 HB THR A 87 -17.528 -0.646 -14.420 1.00 12.00 H new ATOM 0 HG1 THR A 87 -18.006 -1.962 -12.561 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.747 -2.041 -13.410 1.00 12.00 H new ATOM 0 HG22 THR A 87 -15.085 -0.513 -14.037 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.346 -0.718 -12.288 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.156 1.972 -14.386 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.422 2.596 -15.535 1.00 12.00 C ATOM 1365 C GLU A 88 -12.921 2.667 -15.231 1.00 12.00 C ATOM 1366 O GLU A 88 -12.465 2.195 -14.204 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.957 4.010 -15.775 1.00 12.00 C ATOM 1368 CG GLU A 88 -14.904 4.807 -14.471 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.712 6.096 -14.629 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.171 7.050 -15.165 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -16.859 6.107 -14.214 1.00 12.00 O ATOM 0 H GLU A 88 -14.575 1.737 -13.581 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.576 1.986 -16.425 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -14.364 4.509 -16.542 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -15.982 3.964 -16.144 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.306 4.211 -13.651 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -13.870 5.042 -14.217 1.00 12.00 H new ATOM 1378 N THR A 89 -12.161 3.262 -16.132 1.00 12.00 N ATOM 1379 CA THR A 89 -10.674 3.400 -15.950 1.00 12.00 C ATOM 1380 C THR A 89 -10.377 4.063 -14.606 1.00 12.00 C ATOM 1381 O THR A 89 -11.091 4.964 -14.193 1.00 12.00 O ATOM 1382 CB THR A 89 -10.117 4.273 -17.087 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.482 3.699 -18.333 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.592 4.353 -16.994 1.00 12.00 C ATOM 0 H THR A 89 -12.517 3.664 -16.999 1.00 12.00 H new ATOM 0 HA THR A 89 -10.207 2.415 -15.971 1.00 12.00 H new ATOM 0 HB THR A 89 -10.530 5.278 -17.002 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.132 4.251 -19.063 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.210 4.974 -17.804 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.308 4.791 -16.037 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.170 3.351 -17.074 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.342 3.613 -13.915 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.021 4.221 -12.578 1.00 12.00 C ATOM 1394 C ASN A 90 -7.723 5.045 -12.600 1.00 12.00 C ATOM 1395 O ASN A 90 -6.659 4.578 -12.216 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.928 3.137 -11.493 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.984 3.804 -10.113 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.779 4.693 -9.889 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.164 3.418 -9.173 1.00 12.00 N ATOM 0 H ASN A 90 -8.718 2.864 -14.216 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.840 4.901 -12.344 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.747 2.426 -11.601 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.001 2.574 -11.602 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.194 3.863 -8.256 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.494 2.671 -9.356 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.838 6.299 -12.975 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.653 7.225 -12.939 1.00 12.00 C ATOM 1408 C TYR A 91 -6.764 7.957 -11.604 1.00 12.00 C ATOM 1409 O TYR A 91 -7.591 8.839 -11.444 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.649 8.234 -14.109 1.00 12.00 C ATOM 1411 CG TYR A 91 -8.052 8.642 -14.496 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -8.787 7.850 -15.386 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.611 9.816 -13.978 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.081 8.231 -15.758 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -9.906 10.197 -14.348 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.641 9.404 -15.239 1.00 12.00 C ATOM 1417 OH TYR A 91 -11.917 9.780 -15.605 1.00 12.00 O ATOM 0 H TYR A 91 -8.704 6.724 -13.306 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.723 6.665 -13.040 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -6.077 9.118 -13.826 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.147 7.792 -14.970 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.355 6.944 -15.786 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -8.043 10.428 -13.293 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.647 7.620 -16.445 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.338 11.102 -13.947 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.153 10.617 -15.154 1.00 12.00 H new ATOM 1427 N ILE A 92 -5.994 7.527 -10.625 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.104 8.111 -9.247 1.00 12.00 C ATOM 1429 C ILE A 92 -4.768 8.682 -8.759 1.00 12.00 C ATOM 1430 O ILE A 92 -3.708 8.184 -9.082 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.560 6.966 -8.309 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.580 7.408 -6.829 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -5.604 5.778 -8.457 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -7.933 7.055 -6.205 1.00 12.00 C ATOM 0 H ILE A 92 -5.292 6.794 -10.724 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.815 8.937 -9.253 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.574 6.686 -8.595 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -5.776 6.916 -6.281 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -6.404 8.481 -6.757 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -5.922 4.970 -7.798 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.614 5.429 -9.490 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -4.594 6.088 -8.189 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -7.945 7.368 -5.161 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -8.728 7.568 -6.746 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.091 5.978 -6.263 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.853 9.702 -7.934 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.636 10.327 -7.327 1.00 12.00 C ATOM 1448 C CYS A 93 -3.432 9.614 -5.997 1.00 12.00 C ATOM 1449 O CYS A 93 -4.397 9.340 -5.298 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.888 11.820 -7.092 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.343 12.650 -6.653 1.00 12.00 S ATOM 0 H CYS A 93 -5.733 10.134 -7.652 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.761 10.235 -7.971 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.310 12.271 -7.990 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.620 11.952 -6.295 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.208 9.249 -5.680 1.00 12.00 N ATOM 1457 CA VAL A 94 -1.953 8.471 -4.426 1.00 12.00 C ATOM 1458 C VAL A 94 -0.664 8.943 -3.738 1.00 12.00 C ATOM 1459 O VAL A 94 -0.011 9.870 -4.190 1.00 12.00 O ATOM 1460 CB VAL A 94 -1.853 6.966 -4.799 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -2.964 6.608 -5.791 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -0.508 6.648 -5.468 1.00 12.00 C ATOM 0 H VAL A 94 -1.378 9.457 -6.236 1.00 12.00 H new ATOM 0 HA VAL A 94 -2.772 8.629 -3.724 1.00 12.00 H new ATOM 0 HB VAL A 94 -1.947 6.390 -3.879 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -2.893 5.552 -6.052 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -3.935 6.805 -5.336 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -2.856 7.212 -6.692 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -0.467 5.588 -5.717 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -0.406 7.239 -6.378 1.00 12.00 H new ATOM 0 HG23 VAL A 94 0.305 6.891 -4.784 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.300 8.281 -2.658 1.00 12.00 N ATOM 1473 CA LYS A 95 0.947 8.637 -1.920 1.00 12.00 C ATOM 1474 C LYS A 95 1.547 7.373 -1.297 1.00 12.00 C ATOM 1475 O LYS A 95 0.826 6.438 -0.965 1.00 12.00 O ATOM 1476 CB LYS A 95 0.633 9.679 -0.843 1.00 12.00 C ATOM 1477 CG LYS A 95 0.598 11.069 -1.487 1.00 12.00 C ATOM 1478 CD LYS A 95 0.208 12.114 -0.442 1.00 12.00 C ATOM 1479 CE LYS A 95 -1.316 12.201 -0.354 1.00 12.00 C ATOM 1480 NZ LYS A 95 -1.698 13.136 0.742 1.00 12.00 N ATOM 0 H LYS A 95 -0.824 7.503 -2.258 1.00 12.00 H new ATOM 0 HA LYS A 95 1.674 9.066 -2.609 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.325 9.458 -0.373 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.388 9.647 -0.057 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.574 11.309 -1.908 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -0.116 11.081 -2.310 1.00 12.00 H new ATOM 0 HD2 LYS A 95 0.625 11.846 0.529 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.624 13.085 -0.710 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -1.726 12.548 -1.302 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -1.737 11.213 -0.167 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -2.735 13.195 0.802 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -1.318 12.786 1.645 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -1.308 14.080 0.545 1.00 12.00 H new ATOM 1494 N CYS A 96 2.856 7.325 -1.164 1.00 12.00 N ATOM 1495 CA CYS A 96 3.516 6.103 -0.606 1.00 12.00 C ATOM 1496 C CYS A 96 4.287 6.382 0.688 1.00 12.00 C ATOM 1497 O CYS A 96 5.290 7.074 0.699 1.00 12.00 O ATOM 1498 CB CYS A 96 4.499 5.532 -1.639 1.00 12.00 C ATOM 1499 SG CYS A 96 3.850 5.737 -3.317 1.00 12.00 S ATOM 0 H CYS A 96 3.492 8.081 -1.419 1.00 12.00 H new ATOM 0 HA CYS A 96 2.721 5.393 -0.379 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.461 6.037 -1.551 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.674 4.475 -1.437 1.00 12.00 H new ATOM 1504 N GLU A 97 3.856 5.748 1.751 1.00 12.00 N ATOM 1505 CA GLU A 97 4.556 5.816 3.074 1.00 12.00 C ATOM 1506 C GLU A 97 4.820 4.351 3.424 1.00 12.00 C ATOM 1507 O GLU A 97 4.017 3.501 3.077 1.00 12.00 O ATOM 1508 CB GLU A 97 3.678 6.482 4.141 1.00 12.00 C ATOM 1509 CG GLU A 97 4.392 6.447 5.499 1.00 12.00 C ATOM 1510 CD GLU A 97 3.867 7.579 6.382 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.745 7.469 6.846 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.597 8.536 6.578 1.00 12.00 O ATOM 0 H GLU A 97 3.018 5.166 1.756 1.00 12.00 H new ATOM 0 HA GLU A 97 5.466 6.414 3.030 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.465 7.513 3.858 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.720 5.967 4.210 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.225 5.486 5.985 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.468 6.550 5.359 1.00 12.00 H new ATOM 1519 N ASN A 98 5.934 4.015 4.044 1.00 12.00 N ATOM 1520 CA ASN A 98 6.217 2.551 4.307 1.00 12.00 C ATOM 1521 C ASN A 98 6.155 1.798 2.945 1.00 12.00 C ATOM 1522 O ASN A 98 5.828 0.630 2.875 1.00 12.00 O ATOM 1523 CB ASN A 98 5.156 1.994 5.262 1.00 12.00 C ATOM 1524 CG ASN A 98 5.583 2.255 6.708 1.00 12.00 C ATOM 1525 OD1 ASN A 98 6.035 3.335 7.036 1.00 12.00 O ATOM 1526 ND2 ASN A 98 5.460 1.305 7.596 1.00 12.00 N ATOM 0 H ASN A 98 6.645 4.668 4.373 1.00 12.00 H new ATOM 0 HA ASN A 98 7.200 2.423 4.761 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.192 2.464 5.066 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.028 0.924 5.097 1.00 12.00 H new ATOM 0 HD21 ASN A 98 5.743 1.470 8.562 1.00 12.00 H new ATOM 0 HD22 ASN A 98 5.081 0.398 7.323 1.00 12.00 H new ATOM 1533 N GLN A 99 6.442 2.520 1.870 1.00 12.00 N ATOM 1534 CA GLN A 99 6.426 2.007 0.450 1.00 12.00 C ATOM 1535 C GLN A 99 5.097 1.352 0.025 1.00 12.00 C ATOM 1536 O GLN A 99 4.996 0.847 -1.082 1.00 12.00 O ATOM 1537 CB GLN A 99 7.623 1.079 0.169 1.00 12.00 C ATOM 1538 CG GLN A 99 7.538 -0.202 0.997 1.00 12.00 C ATOM 1539 CD GLN A 99 8.543 -1.221 0.462 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.423 -1.684 -0.655 1.00 12.00 O ATOM 1541 NE2 GLN A 99 9.542 -1.586 1.217 1.00 12.00 N ATOM 0 H GLN A 99 6.702 3.504 1.931 1.00 12.00 H new ATOM 0 HA GLN A 99 6.522 2.896 -0.173 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.650 0.828 -0.891 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.552 1.601 0.397 1.00 12.00 H new ATOM 0 HG2 GLN A 99 7.746 0.015 2.045 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.529 -0.611 0.951 1.00 12.00 H new ATOM 0 HE21 GLN A 99 9.642 -1.197 2.154 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.224 -2.261 0.870 1.00 12.00 H new ATOM 1550 N TYR A 100 4.065 1.449 0.831 1.00 12.00 N ATOM 1551 CA TYR A 100 2.715 0.938 0.431 1.00 12.00 C ATOM 1552 C TYR A 100 1.829 2.195 0.349 1.00 12.00 C ATOM 1553 O TYR A 100 2.039 3.115 1.122 1.00 12.00 O ATOM 1554 CB TYR A 100 2.187 -0.126 1.458 1.00 12.00 C ATOM 1555 CG TYR A 100 0.991 0.355 2.293 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.266 0.577 1.694 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.146 0.590 3.664 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.347 1.030 2.459 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.063 1.045 4.425 1.00 12.00 C ATOM 1560 CZ TYR A 100 -1.180 1.268 3.824 1.00 12.00 C ATOM 1561 OH TYR A 100 -2.236 1.726 4.574 1.00 12.00 O ATOM 0 H TYR A 100 4.102 1.866 1.761 1.00 12.00 H new ATOM 0 HA TYR A 100 2.726 0.411 -0.523 1.00 12.00 H new ATOM 0 HB2 TYR A 100 1.901 -1.028 0.917 1.00 12.00 H new ATOM 0 HB3 TYR A 100 2.999 -0.402 2.130 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.396 0.396 0.637 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.103 0.420 4.135 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.308 1.195 1.994 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.188 1.225 5.483 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.844 0.983 4.771 1.00 12.00 H new ATOM 1571 N PRO A 101 0.866 2.218 -0.557 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.032 3.386 -0.696 1.00 12.00 C ATOM 1573 C PRO A 101 -0.776 3.610 0.620 1.00 12.00 C ATOM 1574 O PRO A 101 -1.837 3.075 0.837 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.947 3.003 -1.863 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.852 1.469 -2.004 1.00 12.00 C ATOM 1577 CD PRO A 101 0.546 1.100 -1.483 1.00 12.00 C ATOM 0 HA PRO A 101 0.473 4.330 -0.900 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.974 3.313 -1.669 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.633 3.498 -2.782 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.631 0.972 -1.426 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.979 1.161 -3.042 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.544 0.139 -0.969 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.272 1.027 -2.293 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.182 4.389 1.501 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.779 4.658 2.854 1.00 12.00 C ATOM 1587 C VAL A 102 -1.790 5.798 2.774 1.00 12.00 C ATOM 1588 O VAL A 102 -2.605 5.960 3.670 1.00 12.00 O ATOM 1589 CB VAL A 102 0.371 5.026 3.821 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.148 5.557 5.168 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.218 3.783 4.085 1.00 12.00 C ATOM 0 H VAL A 102 0.708 4.858 1.335 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.304 3.773 3.214 1.00 12.00 H new ATOM 0 HB VAL A 102 0.958 5.814 3.349 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.696 5.802 5.812 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.747 6.452 5.000 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.762 4.794 5.648 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.031 4.035 4.766 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.596 3.008 4.533 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.632 3.418 3.145 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.724 6.599 1.742 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.654 7.756 1.634 1.00 12.00 C ATOM 1603 C HIS A 103 -3.165 7.838 0.200 1.00 12.00 C ATOM 1604 O HIS A 103 -2.397 7.718 -0.740 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.922 9.072 2.043 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.473 8.795 2.444 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.033 9.081 3.705 1.00 12.00 N ATOM 1608 CD2 HIS A 103 0.562 8.199 1.763 1.00 12.00 C ATOM 1609 CE1 HIS A 103 1.315 8.652 3.731 1.00 12.00 C ATOM 1610 NE2 HIS A 103 1.680 8.116 2.572 1.00 12.00 N ATOM 0 H HIS A 103 -1.065 6.499 0.970 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.499 7.623 2.309 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.944 9.777 1.212 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.449 9.542 2.874 1.00 12.00 H new ATOM 0 HD1 HIS A 103 -0.469 9.531 4.470 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.509 7.847 0.743 1.00 12.00 H new ATOM 0 HE1 HIS A 103 1.964 8.735 4.590 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.459 8.031 0.029 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.027 8.112 -1.355 1.00 12.00 C ATOM 1620 C PHE A 104 -5.778 9.441 -1.521 1.00 12.00 C ATOM 1621 O PHE A 104 -6.596 9.803 -0.689 1.00 12.00 O ATOM 1622 CB PHE A 104 -5.975 6.930 -1.613 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.376 6.019 -2.663 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -4.147 5.387 -2.437 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.061 5.795 -3.856 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -3.617 4.525 -3.406 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -5.531 4.932 -4.822 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.311 4.293 -4.595 1.00 12.00 C ATOM 0 H PHE A 104 -5.137 8.135 0.784 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.214 8.065 -2.080 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.142 6.376 -0.689 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -6.946 7.296 -1.946 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -3.609 5.564 -1.518 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.004 6.289 -4.036 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -2.669 4.038 -3.233 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.067 4.760 -5.744 1.00 12.00 H new ATOM 0 HZ PHE A 104 -3.905 3.621 -5.337 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.486 10.166 -2.580 1.00 12.00 N ATOM 1639 CA ALA A 105 -6.153 11.490 -2.822 1.00 12.00 C ATOM 1640 C ALA A 105 -7.487 11.300 -3.560 1.00 12.00 C ATOM 1641 O ALA A 105 -8.469 11.942 -3.220 1.00 12.00 O ATOM 1642 CB ALA A 105 -5.226 12.403 -3.641 1.00 12.00 C ATOM 0 H ALA A 105 -4.808 9.894 -3.292 1.00 12.00 H new ATOM 0 HA ALA A 105 -6.355 11.956 -1.857 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -5.717 13.361 -3.812 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -4.297 12.564 -3.093 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -5.005 11.932 -4.599 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.538 10.426 -4.555 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.824 10.200 -5.301 1.00 12.00 C ATOM 1650 C GLY A 106 -8.633 10.409 -6.809 1.00 12.00 C ATOM 1651 O GLY A 106 -8.165 9.527 -7.511 1.00 12.00 O ATOM 0 H GLY A 106 -6.748 9.866 -4.876 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.183 9.188 -5.114 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -9.588 10.883 -4.930 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.018 11.563 -7.309 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.897 11.849 -8.777 1.00 12.00 C ATOM 1657 C ILE A 107 -7.441 11.716 -9.225 1.00 12.00 C ATOM 1658 O ILE A 107 -6.524 11.998 -8.471 1.00 12.00 O ATOM 1659 CB ILE A 107 -9.396 13.265 -9.062 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -8.649 14.262 -8.170 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -10.893 13.344 -8.764 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -8.855 15.684 -8.696 1.00 12.00 C ATOM 0 H ILE A 107 -9.414 12.324 -6.758 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.501 11.130 -9.330 1.00 12.00 H new ATOM 0 HB ILE A 107 -9.216 13.509 -10.109 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -9.010 14.188 -7.144 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -7.586 14.022 -8.151 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -11.252 14.353 -8.966 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.428 12.635 -9.396 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.069 13.100 -7.716 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -8.322 16.389 -8.058 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -8.472 15.754 -9.714 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -9.918 15.923 -8.691 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.241 11.288 -10.453 1.00 12.00 N ATOM 1675 CA GLY A 108 -5.861 11.120 -11.006 1.00 12.00 C ATOM 1676 C GLY A 108 -5.202 12.487 -11.179 1.00 12.00 C ATOM 1677 O GLY A 108 -4.006 12.632 -10.988 1.00 12.00 O ATOM 0 H GLY A 108 -7.989 11.045 -11.102 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.264 10.501 -10.336 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -5.904 10.603 -11.965 1.00 12.00 H new ATOM 1681 N ARG A 109 -5.982 13.485 -11.541 1.00 12.00 N ATOM 1682 CA ARG A 109 -5.429 14.862 -11.734 1.00 12.00 C ATOM 1683 C ARG A 109 -4.949 15.407 -10.390 1.00 12.00 C ATOM 1684 O ARG A 109 -5.727 15.582 -9.467 1.00 12.00 O ATOM 1685 CB ARG A 109 -6.511 15.777 -12.311 1.00 12.00 C ATOM 1686 CG ARG A 109 -6.644 15.526 -13.818 1.00 12.00 C ATOM 1687 CD ARG A 109 -5.871 16.596 -14.593 1.00 12.00 C ATOM 1688 NE ARG A 109 -4.432 16.216 -14.671 1.00 12.00 N ATOM 1689 CZ ARG A 109 -3.834 16.159 -15.830 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -3.726 17.233 -16.562 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -3.342 15.027 -16.254 1.00 12.00 N ATOM 0 H ARG A 109 -6.984 13.399 -11.711 1.00 12.00 H new ATOM 0 HA ARG A 109 -4.590 14.824 -12.429 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -7.463 15.589 -11.815 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -6.256 16.821 -12.127 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -6.261 14.536 -14.066 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -7.695 15.543 -14.107 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -6.284 16.702 -15.596 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -5.976 17.563 -14.101 1.00 12.00 H new ATOM 0 HE ARG A 109 -3.914 16.000 -13.819 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -4.109 18.118 -16.229 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -3.259 17.188 -17.468 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -3.425 14.188 -15.680 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -2.875 14.981 -17.159 1.00 12.00 H new ATOM 1705 N CYS A 110 -3.664 15.664 -10.287 1.00 12.00 N ATOM 1706 CA CYS A 110 -3.071 16.191 -9.017 1.00 12.00 C ATOM 1707 C CYS A 110 -2.216 17.440 -9.337 1.00 12.00 C ATOM 1708 O CYS A 110 -1.954 17.700 -10.500 1.00 12.00 O ATOM 1709 CB CYS A 110 -2.184 15.095 -8.411 1.00 12.00 C ATOM 1710 SG CYS A 110 -2.805 14.612 -6.782 1.00 12.00 S ATOM 0 H CYS A 110 -2.992 15.528 -11.043 1.00 12.00 H new ATOM 0 HA CYS A 110 -3.855 16.467 -8.312 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -2.164 14.228 -9.071 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -1.159 15.454 -8.325 1.00 12.00 H new ATOM 1715 N PRO A 111 -1.789 18.183 -8.312 1.00 12.00 N ATOM 1716 CA PRO A 111 -0.959 19.390 -8.516 1.00 12.00 C ATOM 1717 C PRO A 111 0.493 18.986 -8.794 1.00 12.00 C ATOM 1718 O PRO A 111 1.085 19.554 -9.695 1.00 12.00 O ATOM 1719 CB PRO A 111 -1.062 20.140 -7.187 1.00 12.00 C ATOM 1720 CG PRO A 111 -1.440 19.087 -6.122 1.00 12.00 C ATOM 1721 CD PRO A 111 -2.084 17.909 -6.877 1.00 12.00 C ATOM 1722 OXT PRO A 111 0.985 18.111 -8.100 1.00 12.00 O ATOM 0 HA PRO A 111 -1.286 19.994 -9.362 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -0.116 20.622 -6.938 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -1.816 20.926 -7.241 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -0.558 18.759 -5.572 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -2.134 19.505 -5.393 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -1.662 16.955 -6.560 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -3.157 17.859 -6.694 1.00 12.00 H new TER 1730 PRO A 111