USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=30 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 49 LYS NZ :NH3+ -158:sc= -1.23 (180deg=-2.14) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.677 X(o=-1.9,f=-1.8) USER MOD Set 2.1: A 44 SER OG : rot -176:sc= 1.2 USER MOD Set 2.2: A 47 THR OG1 : rot 103:sc= 0.999 USER MOD Set 3.1: A 23 MET CE :methyl -168:sc= -0.077 (180deg=-0.242) USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -2.66 F(o=-2.3!,f=-1.5) USER MOD Set 3.3: A 83 TYR OH : rot -89:sc= 1.21 USER MOD Set 4.1: A 18 ASN : amide:sc= -3 X(o=-3,f=-3) USER MOD Set 4.2: A 20 ASN : amide:sc= -0.583 K(o=-3,f=-4.2) USER MOD Set 4.3: A 21 THR OG1 : rot 54:sc= 0.608 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.622 K(o=-0.62,f=-1.9) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 7 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00256) USER MOD Single : A 10 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 25 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.1!) USER MOD Single : A 26 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.038) USER MOD Single : A 28 TYR OH : rot -54:sc= 0.114 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 43 SER OG : rot -140:sc= -0.198 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 101:sc= 1.21 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= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 62 SER OG : rot -102:sc= -1.25 USER MOD Single : A 63 THR OG1 : rot -92:sc= 0.0515 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 69 ASN : amide:sc= -1.01 K(o=-1,f=-5.2!) USER MOD Single : A 70 THR OG1 : rot 150:sc= -0.674 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -170:sc= 0.0601 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -5:sc= -0.558 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -75:sc= 0.408 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= -7.1! C(o=-7.1!,f=-12!) USER MOD Single : A 91 TYR OH : rot 180:sc= -4.29! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.53) USER MOD Single : A 100 TYR OH : rot -130:sc= -2.4! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -3.53! C(o=-5.9!,f=-3.5!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -4.158 2.875 7.558 1.00 12.00 N HETATM 2 CA PCA A 1 -3.154 2.885 8.680 1.00 12.00 C HETATM 3 CB PCA A 1 -3.929 2.889 9.998 1.00 12.00 C HETATM 4 CG PCA A 1 -5.384 2.873 9.596 1.00 12.00 C HETATM 5 CD PCA A 1 -5.373 2.891 8.074 1.00 12.00 C HETATM 6 OE PCA A 1 -6.384 2.918 7.398 1.00 12.00 O HETATM 7 C PCA A 1 -2.278 1.634 8.582 1.00 12.00 C HETATM 8 O PCA A 1 -1.062 1.714 8.630 1.00 12.00 O HETATM 0 H2 PCA A 1 -4.756 3.723 7.620 1.00 12.00 H new HETATM 0 HA PCA A 1 -2.511 3.763 8.624 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -3.678 2.020 10.606 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -3.693 3.772 10.592 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -5.889 1.985 9.976 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -5.914 3.737 9.997 1.00 12.00 H new ATOM 15 N ASN A 2 -2.902 0.485 8.435 1.00 12.00 N ATOM 16 CA ASN A 2 -2.143 -0.801 8.317 1.00 12.00 C ATOM 17 C ASN A 2 -2.495 -1.470 6.973 1.00 12.00 C ATOM 18 O ASN A 2 -3.443 -1.081 6.319 1.00 12.00 O ATOM 19 CB ASN A 2 -2.493 -1.697 9.512 1.00 12.00 C ATOM 20 CG ASN A 2 -1.701 -3.006 9.442 1.00 12.00 C ATOM 21 OD1 ASN A 2 -2.274 -4.068 9.303 1.00 12.00 O ATOM 22 ND2 ASN A 2 -0.398 -2.978 9.538 1.00 12.00 N ATOM 0 H ASN A 2 -3.916 0.385 8.392 1.00 12.00 H new ATOM 0 HA ASN A 2 -1.068 -0.623 8.332 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.269 -1.177 10.443 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.562 -1.910 9.515 1.00 12.00 H new ATOM 0 HD21 ASN A 2 0.135 -3.847 9.496 1.00 12.00 H new ATOM 0 HD22 ASN A 2 0.086 -2.088 9.655 1.00 12.00 H new ATOM 29 N TRP A 3 -1.704 -2.434 6.540 1.00 12.00 N ATOM 30 CA TRP A 3 -1.936 -3.114 5.200 1.00 12.00 C ATOM 31 C TRP A 3 -3.222 -3.973 5.244 1.00 12.00 C ATOM 32 O TRP A 3 -3.802 -4.257 4.214 1.00 12.00 O ATOM 33 CB TRP A 3 -0.734 -4.032 4.876 1.00 12.00 C ATOM 34 CG TRP A 3 -0.079 -3.735 3.548 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.241 -3.463 3.419 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.625 -3.731 2.180 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.549 -3.306 2.082 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.441 -3.462 1.278 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.908 -3.933 1.627 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.246 -3.405 -0.103 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.104 -3.876 0.234 1.00 12.00 C ATOM 42 CH2 TRP A 3 -1.028 -3.619 -0.629 1.00 12.00 C ATOM 0 H TRP A 3 -0.899 -2.786 7.058 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.044 -2.346 4.434 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.009 -3.934 5.667 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.069 -5.069 4.881 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.944 -3.381 4.235 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.484 -3.099 1.732 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.746 -4.133 2.278 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.077 -3.196 -0.761 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.092 -4.032 -0.174 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -1.186 -3.587 -1.697 1.00 12.00 H new ATOM 53 N ALA A 4 -3.644 -4.410 6.422 1.00 12.00 N ATOM 54 CA ALA A 4 -4.875 -5.279 6.544 1.00 12.00 C ATOM 55 C ALA A 4 -6.150 -4.447 6.327 1.00 12.00 C ATOM 56 O ALA A 4 -6.894 -4.663 5.373 1.00 12.00 O ATOM 57 CB ALA A 4 -4.918 -5.908 7.939 1.00 12.00 C ATOM 0 H ALA A 4 -3.184 -4.200 7.308 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.828 -6.058 5.783 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.805 -6.535 8.028 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.027 -6.517 8.091 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.953 -5.121 8.692 1.00 12.00 H new ATOM 63 N THR A 5 -6.406 -3.496 7.205 1.00 12.00 N ATOM 64 CA THR A 5 -7.622 -2.618 7.064 1.00 12.00 C ATOM 65 C THR A 5 -7.501 -1.880 5.733 1.00 12.00 C ATOM 66 O THR A 5 -8.477 -1.698 5.021 1.00 12.00 O ATOM 67 CB THR A 5 -7.720 -1.590 8.224 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.611 -1.708 9.110 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.013 -1.824 9.008 1.00 12.00 C ATOM 0 H THR A 5 -5.822 -3.290 8.016 1.00 12.00 H new ATOM 0 HA THR A 5 -8.522 -3.233 7.098 1.00 12.00 H new ATOM 0 HB THR A 5 -7.716 -0.589 7.792 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.696 -1.049 9.830 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.081 -1.102 9.822 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.868 -1.703 8.343 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.012 -2.834 9.418 1.00 12.00 H new ATOM 77 N PHE A 6 -6.289 -1.497 5.385 1.00 12.00 N ATOM 78 CA PHE A 6 -6.053 -0.807 4.088 1.00 12.00 C ATOM 79 C PHE A 6 -6.247 -1.821 2.960 1.00 12.00 C ATOM 80 O PHE A 6 -6.612 -1.453 1.860 1.00 12.00 O ATOM 81 CB PHE A 6 -4.655 -0.218 4.039 1.00 12.00 C ATOM 82 CG PHE A 6 -4.528 0.593 2.768 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.292 -0.070 1.561 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.682 1.995 2.784 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.198 0.649 0.373 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.597 2.718 1.589 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.354 2.040 0.382 1.00 12.00 C ATOM 0 H PHE A 6 -5.454 -1.638 5.954 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.760 0.015 3.975 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.477 0.411 4.911 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.907 -1.011 4.060 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.182 -1.144 1.550 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.865 2.509 3.716 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -4.005 0.133 -0.556 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.717 3.791 1.594 1.00 12.00 H new ATOM 0 HZ PHE A 6 -4.287 2.595 -0.542 1.00 12.00 H new ATOM 97 N GLN A 7 -6.056 -3.102 3.234 1.00 12.00 N ATOM 98 CA GLN A 7 -6.290 -4.157 2.179 1.00 12.00 C ATOM 99 C GLN A 7 -7.690 -3.925 1.611 1.00 12.00 C ATOM 100 O GLN A 7 -7.942 -4.131 0.438 1.00 12.00 O ATOM 101 CB GLN A 7 -6.206 -5.567 2.775 1.00 12.00 C ATOM 102 CG GLN A 7 -6.224 -6.598 1.641 1.00 12.00 C ATOM 103 CD GLN A 7 -5.280 -7.754 1.975 1.00 12.00 C ATOM 104 OE1 GLN A 7 -4.575 -8.244 1.117 1.00 12.00 O ATOM 105 NE2 GLN A 7 -5.236 -8.212 3.196 1.00 12.00 N ATOM 0 H GLN A 7 -5.750 -3.460 4.139 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.526 -4.082 1.405 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.294 -5.672 3.363 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.043 -5.739 3.452 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.237 -6.974 1.496 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.921 -6.128 0.705 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -5.829 -7.800 3.917 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -4.609 -8.982 3.430 1.00 12.00 H new ATOM 114 N GLN A 8 -8.575 -3.433 2.457 1.00 12.00 N ATOM 115 CA GLN A 8 -9.954 -3.091 2.012 1.00 12.00 C ATOM 116 C GLN A 8 -9.889 -1.746 1.274 1.00 12.00 C ATOM 117 O GLN A 8 -10.509 -1.572 0.236 1.00 12.00 O ATOM 118 CB GLN A 8 -10.876 -2.959 3.234 1.00 12.00 C ATOM 119 CG GLN A 8 -11.822 -4.156 3.291 1.00 12.00 C ATOM 120 CD GLN A 8 -11.181 -5.271 4.112 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.324 -5.984 3.627 1.00 12.00 O ATOM 122 NE2 GLN A 8 -11.563 -5.455 5.344 1.00 12.00 N ATOM 0 H GLN A 8 -8.389 -3.256 3.444 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.346 -3.870 1.359 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.282 -2.908 4.147 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.448 -2.033 3.173 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.772 -3.862 3.737 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -12.039 -4.510 2.283 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -12.282 -4.856 5.750 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -11.143 -6.198 5.903 1.00 12.00 H new ATOM 131 N LYS A 9 -9.134 -0.798 1.819 1.00 12.00 N ATOM 132 CA LYS A 9 -9.001 0.569 1.194 1.00 12.00 C ATOM 133 C LYS A 9 -8.793 0.472 -0.326 1.00 12.00 C ATOM 134 O LYS A 9 -9.521 1.085 -1.091 1.00 12.00 O ATOM 135 CB LYS A 9 -7.816 1.331 1.824 1.00 12.00 C ATOM 136 CG LYS A 9 -8.225 1.916 3.178 1.00 12.00 C ATOM 137 CD LYS A 9 -9.373 2.919 2.988 1.00 12.00 C ATOM 138 CE LYS A 9 -9.136 4.160 3.849 1.00 12.00 C ATOM 139 NZ LYS A 9 -8.109 5.023 3.201 1.00 12.00 N ATOM 0 H LYS A 9 -8.601 -0.921 2.680 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.928 1.110 1.383 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -6.968 0.658 1.951 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.492 2.130 1.157 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -8.536 1.117 3.850 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.372 2.410 3.643 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.447 3.204 1.939 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -10.321 2.454 3.260 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -10.067 4.714 3.972 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -8.805 3.867 4.845 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -7.996 5.899 3.750 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -7.201 4.516 3.166 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -8.412 5.257 2.234 1.00 12.00 H new ATOM 153 N HIS A 10 -7.805 -0.286 -0.760 1.00 12.00 N ATOM 154 CA HIS A 10 -7.533 -0.428 -2.230 1.00 12.00 C ATOM 155 C HIS A 10 -8.206 -1.677 -2.805 1.00 12.00 C ATOM 156 O HIS A 10 -8.312 -1.791 -4.017 1.00 12.00 O ATOM 157 CB HIS A 10 -6.018 -0.533 -2.502 1.00 12.00 C ATOM 158 CG HIS A 10 -5.462 0.797 -2.922 1.00 12.00 C ATOM 159 ND1 HIS A 10 -4.113 1.093 -2.816 1.00 12.00 N ATOM 160 CD2 HIS A 10 -6.041 1.898 -3.503 1.00 12.00 C ATOM 161 CE1 HIS A 10 -3.924 2.323 -3.325 1.00 12.00 C ATOM 162 NE2 HIS A 10 -5.067 2.859 -3.757 1.00 12.00 N ATOM 0 H HIS A 10 -7.175 -0.813 -0.155 1.00 12.00 H new ATOM 0 HA HIS A 10 -7.940 0.461 -2.711 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.505 -0.880 -1.605 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.834 -1.273 -3.281 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -7.092 2.002 -3.729 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -2.965 2.817 -3.378 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -5.199 3.777 -4.182 1.00 12.00 H new ATOM 170 N ILE A 11 -8.607 -2.635 -1.980 1.00 12.00 N ATOM 171 CA ILE A 11 -9.202 -3.888 -2.557 1.00 12.00 C ATOM 172 C ILE A 11 -10.549 -4.285 -1.930 1.00 12.00 C ATOM 173 O ILE A 11 -10.642 -5.230 -1.157 1.00 12.00 O ATOM 174 CB ILE A 11 -8.200 -5.053 -2.417 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.779 -4.605 -2.805 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.630 -6.204 -3.327 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.762 -4.027 -4.226 1.00 12.00 C ATOM 0 H ILE A 11 -8.548 -2.601 -0.962 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.404 -3.675 -3.607 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.191 -5.378 -1.377 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.423 -3.856 -2.098 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -6.096 -5.452 -2.743 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.923 -7.028 -3.230 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.625 -6.543 -3.039 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.648 -5.862 -4.362 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.749 -3.716 -4.480 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.097 -4.787 -4.932 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.429 -3.166 -4.277 1.00 12.00 H new ATOM 189 N ILE A 12 -11.605 -3.628 -2.353 1.00 12.00 N ATOM 190 CA ILE A 12 -12.971 -4.016 -1.909 1.00 12.00 C ATOM 191 C ILE A 12 -13.510 -4.878 -3.059 1.00 12.00 C ATOM 192 O ILE A 12 -14.269 -4.415 -3.897 1.00 12.00 O ATOM 193 CB ILE A 12 -13.859 -2.779 -1.699 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.239 -1.841 -0.653 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.244 -3.223 -1.226 1.00 12.00 C ATOM 196 CD1 ILE A 12 -13.016 -2.591 0.668 1.00 12.00 C ATOM 0 H ILE A 12 -11.572 -2.834 -2.992 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.960 -4.544 -0.955 1.00 12.00 H new ATOM 0 HB ILE A 12 -13.943 -2.243 -2.644 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -12.291 -1.450 -1.022 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -13.894 -0.986 -0.488 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.875 -2.347 -1.076 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.695 -3.871 -1.978 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.150 -3.767 -0.286 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.576 -1.914 1.401 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -13.971 -2.960 1.042 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -12.343 -3.432 0.500 1.00 12.00 H new ATOM 208 N ASN A 13 -13.034 -6.109 -3.143 1.00 12.00 N ATOM 209 CA ASN A 13 -13.417 -7.024 -4.272 1.00 12.00 C ATOM 210 C ASN A 13 -14.769 -7.717 -4.002 1.00 12.00 C ATOM 211 O ASN A 13 -14.866 -8.937 -3.944 1.00 12.00 O ATOM 212 CB ASN A 13 -12.308 -8.070 -4.471 1.00 12.00 C ATOM 213 CG ASN A 13 -12.003 -8.762 -3.141 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.898 -9.192 -2.443 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.761 -8.890 -2.760 1.00 12.00 N ATOM 0 H ASN A 13 -12.389 -6.519 -2.467 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.531 -6.431 -5.179 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -12.619 -8.807 -5.212 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.408 -7.591 -4.857 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.544 -9.351 -1.877 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -10.008 -8.529 -3.346 1.00 12.00 H new ATOM 222 N THR A 14 -15.814 -6.934 -3.882 1.00 12.00 N ATOM 223 CA THR A 14 -17.183 -7.483 -3.663 1.00 12.00 C ATOM 224 C THR A 14 -18.172 -6.532 -4.384 1.00 12.00 C ATOM 225 O THR A 14 -18.959 -5.864 -3.738 1.00 12.00 O ATOM 226 CB THR A 14 -17.477 -7.554 -2.153 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.458 -6.246 -1.607 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.416 -8.410 -1.458 1.00 12.00 C ATOM 0 H THR A 14 -15.771 -5.916 -3.928 1.00 12.00 H new ATOM 0 HA THR A 14 -17.279 -8.493 -4.061 1.00 12.00 H new ATOM 0 HB THR A 14 -18.459 -8.002 -1.999 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.647 -6.290 -0.646 1.00 12.00 H new ATOM 0 HG21 THR A 14 -16.629 -8.457 -0.390 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.430 -9.417 -1.875 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.432 -7.967 -1.613 1.00 12.00 H new ATOM 236 N PRO A 15 -18.083 -6.464 -5.718 1.00 12.00 N ATOM 237 CA PRO A 15 -18.949 -5.573 -6.527 1.00 12.00 C ATOM 238 C PRO A 15 -20.335 -6.202 -6.798 1.00 12.00 C ATOM 239 O PRO A 15 -20.839 -6.152 -7.913 1.00 12.00 O ATOM 240 CB PRO A 15 -18.158 -5.401 -7.833 1.00 12.00 C ATOM 241 CG PRO A 15 -17.211 -6.618 -7.942 1.00 12.00 C ATOM 242 CD PRO A 15 -17.115 -7.242 -6.539 1.00 12.00 C ATOM 0 HA PRO A 15 -19.162 -4.631 -6.022 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.830 -5.356 -8.690 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.592 -4.470 -7.823 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -17.595 -7.342 -8.660 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.227 -6.310 -8.295 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.371 -8.301 -6.557 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.104 -7.166 -6.139 1.00 12.00 H new ATOM 250 N ILE A 16 -20.962 -6.770 -5.784 1.00 12.00 N ATOM 251 CA ILE A 16 -22.317 -7.382 -5.957 1.00 12.00 C ATOM 252 C ILE A 16 -23.349 -6.258 -6.143 1.00 12.00 C ATOM 253 O ILE A 16 -22.985 -5.124 -6.409 1.00 12.00 O ATOM 254 CB ILE A 16 -22.654 -8.222 -4.715 1.00 12.00 C ATOM 255 CG1 ILE A 16 -22.565 -7.342 -3.462 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.660 -9.388 -4.596 1.00 12.00 C ATOM 257 CD1 ILE A 16 -23.233 -8.058 -2.285 1.00 12.00 C ATOM 0 H ILE A 16 -20.584 -6.833 -4.839 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.333 -8.030 -6.833 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.665 -8.618 -4.809 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -21.522 -7.130 -3.227 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -23.053 -6.384 -3.642 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.900 -9.983 -3.715 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.726 -10.015 -5.485 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.648 -8.995 -4.503 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -23.169 -7.432 -1.395 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -24.280 -8.248 -2.521 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.726 -9.005 -2.100 1.00 12.00 H new ATOM 269 N ILE A 17 -24.626 -6.567 -6.017 1.00 12.00 N ATOM 270 CA ILE A 17 -25.693 -5.523 -6.198 1.00 12.00 C ATOM 271 C ILE A 17 -26.142 -4.984 -4.822 1.00 12.00 C ATOM 272 O ILE A 17 -27.324 -4.790 -4.567 1.00 12.00 O ATOM 273 CB ILE A 17 -26.877 -6.147 -6.951 1.00 12.00 C ATOM 274 CG1 ILE A 17 -27.422 -7.337 -6.153 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.406 -6.629 -8.325 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.749 -7.805 -6.756 1.00 12.00 C ATOM 0 H ILE A 17 -24.974 -7.500 -5.796 1.00 12.00 H new ATOM 0 HA ILE A 17 -25.301 -4.687 -6.777 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.663 -5.402 -7.074 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.700 -8.154 -6.163 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -27.567 -7.052 -5.111 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -27.244 -7.073 -8.862 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -26.017 -5.784 -8.893 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.620 -7.374 -8.200 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -29.130 -8.651 -6.184 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -29.471 -6.989 -6.723 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -28.591 -8.109 -7.791 1.00 12.00 H new ATOM 288 N ASN A 18 -25.192 -4.734 -3.945 1.00 12.00 N ATOM 289 CA ASN A 18 -25.518 -4.195 -2.575 1.00 12.00 C ATOM 290 C ASN A 18 -24.276 -3.501 -2.001 1.00 12.00 C ATOM 291 O ASN A 18 -23.379 -4.156 -1.498 1.00 12.00 O ATOM 292 CB ASN A 18 -25.928 -5.353 -1.657 1.00 12.00 C ATOM 293 CG ASN A 18 -27.343 -5.815 -2.010 1.00 12.00 C ATOM 294 OD1 ASN A 18 -28.312 -5.211 -1.595 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.503 -6.871 -2.758 1.00 12.00 N ATOM 0 H ASN A 18 -24.198 -4.881 -4.119 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.338 -3.481 -2.644 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -25.227 -6.181 -1.765 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.888 -5.035 -0.615 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.442 -7.190 -2.995 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -26.689 -7.378 -3.106 1.00 12.00 H new ATOM 302 N CYS A 19 -24.217 -2.184 -2.086 1.00 12.00 N ATOM 303 CA CYS A 19 -23.020 -1.435 -1.559 1.00 12.00 C ATOM 304 C CYS A 19 -23.060 -1.342 -0.025 1.00 12.00 C ATOM 305 O CYS A 19 -22.063 -0.989 0.581 1.00 12.00 O ATOM 306 CB CYS A 19 -22.963 -0.017 -2.159 1.00 12.00 C ATOM 307 SG CYS A 19 -23.297 -0.089 -3.939 1.00 12.00 S ATOM 0 H CYS A 19 -24.944 -1.598 -2.496 1.00 12.00 H new ATOM 0 HA CYS A 19 -22.127 -1.986 -1.854 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.694 0.625 -1.668 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.982 0.424 -1.981 1.00 12.00 H new ATOM 312 N ASN A 20 -24.181 -1.660 0.611 1.00 12.00 N ATOM 313 CA ASN A 20 -24.242 -1.583 2.116 1.00 12.00 C ATOM 314 C ASN A 20 -23.256 -2.591 2.707 1.00 12.00 C ATOM 315 O ASN A 20 -22.455 -2.252 3.566 1.00 12.00 O ATOM 316 CB ASN A 20 -25.661 -1.887 2.627 1.00 12.00 C ATOM 317 CG ASN A 20 -26.229 -3.120 1.919 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.021 -4.235 2.356 1.00 12.00 O ATOM 319 ND2 ASN A 20 -26.952 -2.966 0.844 1.00 12.00 N ATOM 0 H ASN A 20 -25.042 -1.965 0.157 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.978 -0.572 2.427 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.639 -2.056 3.704 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.309 -1.028 2.452 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.342 -3.781 0.371 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.127 -2.031 0.477 1.00 12.00 H new ATOM 326 N THR A 21 -23.305 -3.821 2.242 1.00 12.00 N ATOM 327 CA THR A 21 -22.374 -4.873 2.752 1.00 12.00 C ATOM 328 C THR A 21 -20.969 -4.646 2.170 1.00 12.00 C ATOM 329 O THR A 21 -19.993 -5.137 2.716 1.00 12.00 O ATOM 330 CB THR A 21 -22.894 -6.267 2.364 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.227 -6.416 2.833 1.00 12.00 O ATOM 332 CG2 THR A 21 -22.009 -7.339 3.000 1.00 12.00 C ATOM 0 H THR A 21 -23.957 -4.139 1.525 1.00 12.00 H new ATOM 0 HA THR A 21 -22.321 -4.811 3.839 1.00 12.00 H new ATOM 0 HB THR A 21 -22.871 -6.376 1.280 1.00 12.00 H new ATOM 0 HG1 THR A 21 -24.774 -5.672 2.506 1.00 12.00 H new ATOM 0 HG21 THR A 21 -22.379 -8.327 2.724 1.00 12.00 H new ATOM 0 HG22 THR A 21 -20.985 -7.223 2.645 1.00 12.00 H new ATOM 0 HG23 THR A 21 -22.032 -7.233 4.085 1.00 12.00 H new ATOM 340 N ILE A 22 -20.857 -3.899 1.076 1.00 12.00 N ATOM 341 CA ILE A 22 -19.513 -3.629 0.466 1.00 12.00 C ATOM 342 C ILE A 22 -18.838 -2.429 1.150 1.00 12.00 C ATOM 343 O ILE A 22 -17.671 -2.169 0.908 1.00 12.00 O ATOM 344 CB ILE A 22 -19.658 -3.355 -1.036 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.440 -4.500 -1.682 1.00 12.00 C ATOM 346 CG2 ILE A 22 -18.264 -3.269 -1.663 1.00 12.00 C ATOM 347 CD1 ILE A 22 -20.910 -4.082 -3.079 1.00 12.00 C ATOM 0 H ILE A 22 -21.643 -3.470 0.588 1.00 12.00 H new ATOM 0 HA ILE A 22 -18.889 -4.511 0.611 1.00 12.00 H new ATOM 0 HB ILE A 22 -20.190 -2.417 -1.195 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -19.813 -5.389 -1.750 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -21.298 -4.762 -1.063 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -18.357 -3.074 -2.731 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -17.703 -2.460 -1.194 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -17.738 -4.211 -1.510 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -21.467 -4.900 -3.536 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -21.553 -3.206 -2.999 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.045 -3.842 -3.697 1.00 12.00 H new ATOM 359 N MET A 23 -19.547 -1.709 2.007 1.00 12.00 N ATOM 360 CA MET A 23 -18.931 -0.538 2.714 1.00 12.00 C ATOM 361 C MET A 23 -19.097 -0.685 4.231 1.00 12.00 C ATOM 362 O MET A 23 -18.729 0.208 4.975 1.00 12.00 O ATOM 363 CB MET A 23 -19.590 0.770 2.255 1.00 12.00 C ATOM 364 CG MET A 23 -21.100 0.731 2.518 1.00 12.00 C ATOM 365 SD MET A 23 -21.541 2.020 3.708 1.00 12.00 S ATOM 366 CE MET A 23 -23.175 2.395 3.023 1.00 12.00 C ATOM 0 H MET A 23 -20.523 -1.887 2.242 1.00 12.00 H new ATOM 0 HA MET A 23 -17.869 -0.511 2.469 1.00 12.00 H new ATOM 0 HB2 MET A 23 -19.145 1.613 2.783 1.00 12.00 H new ATOM 0 HB3 MET A 23 -19.404 0.925 1.192 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.646 0.880 1.586 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.387 -0.247 2.903 1.00 12.00 H new ATOM 0 HE1 MET A 23 -23.554 3.314 3.469 1.00 12.00 H new ATOM 0 HE2 MET A 23 -23.097 2.521 1.943 1.00 12.00 H new ATOM 0 HE3 MET A 23 -23.859 1.575 3.244 1.00 12.00 H new ATOM 376 N ASP A 24 -19.634 -1.804 4.692 1.00 12.00 N ATOM 377 CA ASP A 24 -19.814 -2.027 6.167 1.00 12.00 C ATOM 378 C ASP A 24 -18.437 -1.926 6.845 1.00 12.00 C ATOM 379 O ASP A 24 -17.704 -2.900 6.934 1.00 12.00 O ATOM 380 CB ASP A 24 -20.421 -3.423 6.395 1.00 12.00 C ATOM 381 CG ASP A 24 -21.941 -3.417 6.130 1.00 12.00 C ATOM 382 OD1 ASP A 24 -22.531 -2.344 6.072 1.00 12.00 O ATOM 383 OD2 ASP A 24 -22.496 -4.496 6.006 1.00 12.00 O ATOM 0 H ASP A 24 -19.955 -2.572 4.103 1.00 12.00 H new ATOM 0 HA ASP A 24 -20.484 -1.279 6.591 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -19.937 -4.145 5.738 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -20.228 -3.744 7.419 1.00 12.00 H new ATOM 388 N ASN A 25 -18.085 -0.739 7.292 1.00 12.00 N ATOM 389 CA ASN A 25 -16.760 -0.514 7.941 1.00 12.00 C ATOM 390 C ASN A 25 -16.722 0.905 8.499 1.00 12.00 C ATOM 391 O ASN A 25 -17.384 1.792 7.983 1.00 12.00 O ATOM 392 CB ASN A 25 -15.651 -0.673 6.889 1.00 12.00 C ATOM 393 CG ASN A 25 -14.268 -0.713 7.558 1.00 12.00 C ATOM 394 OD1 ASN A 25 -14.139 -0.997 8.735 1.00 12.00 O ATOM 395 ND2 ASN A 25 -13.211 -0.449 6.841 1.00 12.00 N ATOM 0 H ASN A 25 -18.673 0.092 7.231 1.00 12.00 H new ATOM 0 HA ASN A 25 -16.609 -1.235 8.745 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -15.812 -1.589 6.320 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -15.694 0.154 6.181 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -12.285 -0.481 7.267 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -13.311 -0.210 5.854 1.00 12.00 H new ATOM 402 N ASN A 26 -15.949 1.122 9.539 1.00 12.00 N ATOM 403 CA ASN A 26 -15.847 2.489 10.145 1.00 12.00 C ATOM 404 C ASN A 26 -15.092 3.435 9.200 1.00 12.00 C ATOM 405 O ASN A 26 -15.055 4.631 9.437 1.00 12.00 O ATOM 406 CB ASN A 26 -15.096 2.396 11.471 1.00 12.00 C ATOM 407 CG ASN A 26 -15.780 1.366 12.371 1.00 12.00 C ATOM 408 OD1 ASN A 26 -16.966 1.453 12.617 1.00 12.00 O ATOM 409 ND2 ASN A 26 -15.080 0.384 12.869 1.00 12.00 N ATOM 0 H ASN A 26 -15.382 0.407 9.995 1.00 12.00 H new ATOM 0 HA ASN A 26 -16.851 2.880 10.311 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -14.059 2.110 11.295 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -15.079 3.369 11.961 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -15.529 -0.311 13.465 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -14.084 0.311 12.662 1.00 12.00 H new ATOM 416 N ILE A 27 -14.487 2.916 8.141 1.00 12.00 N ATOM 417 CA ILE A 27 -13.729 3.788 7.185 1.00 12.00 C ATOM 418 C ILE A 27 -14.653 4.299 6.066 1.00 12.00 C ATOM 419 O ILE A 27 -14.179 4.827 5.073 1.00 12.00 O ATOM 420 CB ILE A 27 -12.579 2.981 6.570 1.00 12.00 C ATOM 421 CG1 ILE A 27 -11.740 2.357 7.689 1.00 12.00 C ATOM 422 CG2 ILE A 27 -11.692 3.904 5.730 1.00 12.00 C ATOM 423 CD1 ILE A 27 -10.700 1.411 7.085 1.00 12.00 C ATOM 0 H ILE A 27 -14.490 1.924 7.905 1.00 12.00 H new ATOM 0 HA ILE A 27 -13.335 4.647 7.728 1.00 12.00 H new ATOM 0 HB ILE A 27 -12.990 2.196 5.935 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -11.244 3.139 8.265 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -12.384 1.812 8.380 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -10.876 3.327 5.295 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.285 4.352 4.933 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -11.282 4.691 6.364 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -10.104 0.968 7.883 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -11.206 0.622 6.529 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -10.048 1.968 6.412 1.00 12.00 H new ATOM 435 N TYR A 28 -15.960 4.148 6.216 1.00 12.00 N ATOM 436 CA TYR A 28 -16.911 4.628 5.149 1.00 12.00 C ATOM 437 C TYR A 28 -18.196 5.231 5.785 1.00 12.00 C ATOM 438 O TYR A 28 -19.302 4.810 5.468 1.00 12.00 O ATOM 439 CB TYR A 28 -17.287 3.438 4.245 1.00 12.00 C ATOM 440 CG TYR A 28 -16.179 3.166 3.262 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.838 4.131 2.308 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.496 1.945 3.304 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.814 3.875 1.395 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.471 1.690 2.387 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.129 2.654 1.432 1.00 12.00 C ATOM 446 OH TYR A 28 -13.116 2.404 0.528 1.00 12.00 O ATOM 0 H TYR A 28 -16.404 3.716 7.026 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.424 5.407 4.562 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.470 2.552 4.853 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.212 3.655 3.711 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -16.366 5.072 2.278 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -15.760 1.202 4.042 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -14.549 4.620 0.659 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -13.943 0.748 2.416 1.00 12.00 H new ATOM 0 HH TYR A 28 -13.448 2.545 -0.383 1.00 12.00 H new ATOM 456 N ILE A 29 -18.073 6.216 6.671 1.00 12.00 N ATOM 457 CA ILE A 29 -19.299 6.827 7.309 1.00 12.00 C ATOM 458 C ILE A 29 -19.050 8.306 7.613 1.00 12.00 C ATOM 459 O ILE A 29 -17.930 8.724 7.854 1.00 12.00 O ATOM 460 CB ILE A 29 -19.620 6.109 8.634 1.00 12.00 C ATOM 461 CG1 ILE A 29 -19.758 4.589 8.413 1.00 12.00 C ATOM 462 CG2 ILE A 29 -20.924 6.669 9.232 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.978 4.268 7.536 1.00 12.00 C ATOM 0 H ILE A 29 -17.185 6.616 6.974 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.133 6.722 6.616 1.00 12.00 H new ATOM 0 HB ILE A 29 -18.798 6.285 9.328 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -18.855 4.203 7.941 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.855 4.085 9.375 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.144 6.157 10.168 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.809 7.736 9.421 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.743 6.511 8.531 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.052 3.190 7.396 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -21.882 4.633 8.023 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -20.867 4.753 6.566 1.00 12.00 H new ATOM 475 N VAL A 30 -20.110 9.076 7.632 1.00 12.00 N ATOM 476 CA VAL A 30 -20.016 10.541 7.954 1.00 12.00 C ATOM 477 C VAL A 30 -20.665 10.760 9.332 1.00 12.00 C ATOM 478 O VAL A 30 -21.315 9.865 9.853 1.00 12.00 O ATOM 479 CB VAL A 30 -20.766 11.331 6.870 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.671 12.833 7.138 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.137 11.032 5.511 1.00 12.00 C ATOM 0 H VAL A 30 -21.055 8.748 7.435 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.980 10.880 7.980 1.00 12.00 H new ATOM 0 HB VAL A 30 -21.815 11.034 6.880 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.208 13.376 6.360 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.113 13.058 8.109 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.624 13.137 7.137 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.664 11.589 4.736 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.088 11.329 5.522 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.210 9.964 5.303 1.00 12.00 H new ATOM 491 N GLY A 31 -20.493 11.926 9.929 1.00 12.00 N ATOM 492 CA GLY A 31 -21.099 12.184 11.275 1.00 12.00 C ATOM 493 C GLY A 31 -22.487 12.791 11.080 1.00 12.00 C ATOM 494 O GLY A 31 -22.791 13.852 11.598 1.00 12.00 O ATOM 0 H GLY A 31 -19.960 12.704 9.539 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.169 11.256 11.842 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.468 12.862 11.850 1.00 12.00 H new ATOM 498 N GLY A 32 -23.321 12.106 10.329 1.00 12.00 N ATOM 499 CA GLY A 32 -24.707 12.590 10.061 1.00 12.00 C ATOM 500 C GLY A 32 -25.563 11.430 9.538 1.00 12.00 C ATOM 501 O GLY A 32 -26.615 11.142 10.083 1.00 12.00 O ATOM 0 H GLY A 32 -23.091 11.217 9.885 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -25.144 12.996 10.973 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.686 13.399 9.330 1.00 12.00 H new ATOM 505 N GLN A 33 -25.114 10.768 8.481 1.00 12.00 N ATOM 506 CA GLN A 33 -25.893 9.621 7.899 1.00 12.00 C ATOM 507 C GLN A 33 -24.980 8.799 6.980 1.00 12.00 C ATOM 508 O GLN A 33 -24.531 7.725 7.345 1.00 12.00 O ATOM 509 CB GLN A 33 -27.073 10.165 7.085 1.00 12.00 C ATOM 510 CG GLN A 33 -28.255 10.452 8.013 1.00 12.00 C ATOM 511 CD GLN A 33 -29.564 10.194 7.265 1.00 12.00 C ATOM 512 OE1 GLN A 33 -29.883 10.889 6.320 1.00 12.00 O ATOM 513 NE2 GLN A 33 -30.340 9.219 7.648 1.00 12.00 N ATOM 0 H GLN A 33 -24.239 10.978 8.000 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.266 8.989 8.705 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -26.778 11.076 6.564 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.365 9.442 6.323 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.198 9.818 8.898 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.218 11.485 8.358 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -30.073 8.636 8.441 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -31.215 9.039 7.155 1.00 12.00 H new ATOM 522 N CYS A 34 -24.716 9.304 5.790 1.00 12.00 N ATOM 523 CA CYS A 34 -23.840 8.578 4.813 1.00 12.00 C ATOM 524 C CYS A 34 -22.827 9.556 4.208 1.00 12.00 C ATOM 525 O CYS A 34 -22.777 10.717 4.583 1.00 12.00 O ATOM 526 CB CYS A 34 -24.696 7.990 3.682 1.00 12.00 C ATOM 527 SG CYS A 34 -26.225 7.281 4.350 1.00 12.00 S ATOM 0 H CYS A 34 -25.076 10.198 5.455 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.318 7.775 5.334 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -24.935 8.767 2.956 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.132 7.222 3.152 1.00 12.00 H new ATOM 532 N LYS A 35 -22.036 9.085 3.266 1.00 12.00 N ATOM 533 CA LYS A 35 -21.023 9.965 2.597 1.00 12.00 C ATOM 534 C LYS A 35 -21.495 10.278 1.174 1.00 12.00 C ATOM 535 O LYS A 35 -22.471 9.715 0.699 1.00 12.00 O ATOM 536 CB LYS A 35 -19.659 9.259 2.554 1.00 12.00 C ATOM 537 CG LYS A 35 -18.562 10.220 3.038 1.00 12.00 C ATOM 538 CD LYS A 35 -17.309 10.058 2.171 1.00 12.00 C ATOM 539 CE LYS A 35 -16.434 11.309 2.295 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.079 11.027 1.741 1.00 12.00 N ATOM 0 H LYS A 35 -22.051 8.121 2.932 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.917 10.892 3.160 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.680 8.369 3.183 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.443 8.927 1.539 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.919 11.249 2.988 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.322 10.016 4.082 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -16.749 9.177 2.485 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.592 9.902 1.130 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -16.892 12.140 1.759 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -16.356 11.609 3.340 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -14.486 11.877 1.826 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -14.643 10.246 2.271 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -15.162 10.761 0.739 1.00 12.00 H new ATOM 554 N ARG A 36 -20.809 11.176 0.500 1.00 12.00 N ATOM 555 CA ARG A 36 -21.201 11.554 -0.897 1.00 12.00 C ATOM 556 C ARG A 36 -20.707 10.505 -1.897 1.00 12.00 C ATOM 557 O ARG A 36 -21.184 10.461 -3.021 1.00 12.00 O ATOM 558 CB ARG A 36 -20.600 12.921 -1.242 1.00 12.00 C ATOM 559 CG ARG A 36 -19.075 12.870 -1.105 1.00 12.00 C ATOM 560 CD ARG A 36 -18.455 14.076 -1.815 1.00 12.00 C ATOM 561 NE ARG A 36 -17.216 13.655 -2.527 1.00 12.00 N ATOM 562 CZ ARG A 36 -16.876 14.239 -3.643 1.00 12.00 C ATOM 563 NH1 ARG A 36 -17.748 14.365 -4.606 1.00 12.00 N ATOM 564 NH2 ARG A 36 -15.663 14.696 -3.797 1.00 12.00 N ATOM 0 H ARG A 36 -19.990 11.665 0.861 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.288 11.604 -0.957 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.873 13.202 -2.259 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.008 13.685 -0.580 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -18.794 12.871 -0.052 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -18.692 11.945 -1.536 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -19.167 14.499 -2.523 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -18.223 14.857 -1.091 1.00 12.00 H new ATOM 0 HE ARG A 36 -16.634 12.911 -2.142 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -18.696 14.007 -4.486 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -17.482 14.822 -5.478 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -14.981 14.596 -3.045 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -15.397 15.153 -4.669 1.00 12.00 H new ATOM 578 N VAL A 37 -19.762 9.665 -1.509 1.00 12.00 N ATOM 579 CA VAL A 37 -19.250 8.623 -2.465 1.00 12.00 C ATOM 580 C VAL A 37 -18.511 7.497 -1.726 1.00 12.00 C ATOM 581 O VAL A 37 -17.426 7.688 -1.198 1.00 12.00 O ATOM 582 CB VAL A 37 -18.322 9.290 -3.508 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.024 9.794 -2.858 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.973 8.275 -4.597 1.00 12.00 C ATOM 0 H VAL A 37 -19.331 9.658 -0.585 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.102 8.173 -2.974 1.00 12.00 H new ATOM 0 HB VAL A 37 -18.848 10.143 -3.936 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.393 10.257 -3.617 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.264 10.527 -2.088 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.493 8.955 -2.408 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.319 8.742 -5.334 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.464 7.421 -4.149 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.887 7.937 -5.086 1.00 12.00 H new ATOM 594 N ASN A 38 -19.086 6.312 -1.739 1.00 12.00 N ATOM 595 CA ASN A 38 -18.432 5.121 -1.108 1.00 12.00 C ATOM 596 C ASN A 38 -17.732 4.379 -2.248 1.00 12.00 C ATOM 597 O ASN A 38 -18.302 3.503 -2.885 1.00 12.00 O ATOM 598 CB ASN A 38 -19.482 4.214 -0.430 1.00 12.00 C ATOM 599 CG ASN A 38 -20.445 5.052 0.429 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.640 4.588 0.681 1.00 12.00 O flip ATOM 601 ND2 ASN A 38 -20.110 6.132 0.884 1.00 12.00 N flip ATOM 0 H ASN A 38 -19.992 6.121 -2.166 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.728 5.417 -0.331 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -20.043 3.668 -1.188 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.982 3.472 0.193 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -19.178 6.500 0.691 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -20.761 6.668 1.458 1.00 12.00 H new ATOM 608 N THR A 39 -16.520 4.792 -2.549 1.00 12.00 N ATOM 609 CA THR A 39 -15.768 4.201 -3.695 1.00 12.00 C ATOM 610 C THR A 39 -15.050 2.903 -3.319 1.00 12.00 C ATOM 611 O THR A 39 -14.207 2.870 -2.440 1.00 12.00 O ATOM 612 CB THR A 39 -14.728 5.211 -4.190 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.311 6.506 -4.241 1.00 12.00 O ATOM 614 CG2 THR A 39 -14.245 4.814 -5.587 1.00 12.00 C ATOM 0 H THR A 39 -16.019 5.521 -2.041 1.00 12.00 H new ATOM 0 HA THR A 39 -16.494 3.968 -4.473 1.00 12.00 H new ATOM 0 HB THR A 39 -13.880 5.219 -3.505 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.645 7.152 -4.556 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.505 5.535 -5.935 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.794 3.822 -5.548 1.00 12.00 H new ATOM 0 HG23 THR A 39 -15.091 4.801 -6.274 1.00 12.00 H new ATOM 622 N PHE A 40 -15.360 1.855 -4.043 1.00 12.00 N ATOM 623 CA PHE A 40 -14.699 0.526 -3.848 1.00 12.00 C ATOM 624 C PHE A 40 -13.628 0.391 -4.950 1.00 12.00 C ATOM 625 O PHE A 40 -13.677 1.116 -5.932 1.00 12.00 O ATOM 626 CB PHE A 40 -15.754 -0.579 -4.015 1.00 12.00 C ATOM 627 CG PHE A 40 -16.888 -0.395 -3.026 1.00 12.00 C ATOM 628 CD1 PHE A 40 -16.622 -0.084 -1.685 1.00 12.00 C ATOM 629 CD2 PHE A 40 -18.214 -0.552 -3.455 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.678 0.069 -0.777 1.00 12.00 C ATOM 631 CE2 PHE A 40 -19.268 -0.401 -2.547 1.00 12.00 C ATOM 632 CZ PHE A 40 -19.001 -0.090 -1.210 1.00 12.00 C ATOM 0 H PHE A 40 -16.063 1.866 -4.782 1.00 12.00 H new ATOM 0 HA PHE A 40 -14.249 0.442 -2.859 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -16.146 -0.563 -5.032 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -15.291 -1.555 -3.867 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -15.602 0.038 -1.352 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -18.422 -0.790 -4.488 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -17.472 0.309 0.256 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -20.288 -0.525 -2.879 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.815 0.028 -0.511 1.00 12.00 H new ATOM 642 N ILE A 41 -12.656 -0.501 -4.808 1.00 12.00 N ATOM 643 CA ILE A 41 -11.606 -0.632 -5.874 1.00 12.00 C ATOM 644 C ILE A 41 -11.431 -2.108 -6.264 1.00 12.00 C ATOM 645 O ILE A 41 -11.133 -2.949 -5.432 1.00 12.00 O ATOM 646 CB ILE A 41 -10.288 -0.032 -5.353 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.464 1.480 -5.170 1.00 12.00 C ATOM 648 CG2 ILE A 41 -9.151 -0.277 -6.355 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.962 1.778 -3.754 1.00 12.00 C ATOM 0 H ILE A 41 -12.551 -1.130 -4.012 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.911 -0.088 -6.768 1.00 12.00 H new ATOM 0 HB ILE A 41 -10.037 -0.507 -4.405 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.517 1.989 -5.347 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -11.174 1.864 -5.903 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -8.227 0.154 -5.970 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -9.018 -1.349 -6.500 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.399 0.190 -7.308 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -11.085 2.854 -3.630 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -11.919 1.283 -3.593 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -10.237 1.410 -3.028 1.00 12.00 H new ATOM 661 N ILE A 42 -11.608 -2.406 -7.538 1.00 12.00 N ATOM 662 CA ILE A 42 -11.450 -3.818 -8.041 1.00 12.00 C ATOM 663 C ILE A 42 -10.056 -3.956 -8.651 1.00 12.00 C ATOM 664 O ILE A 42 -9.794 -3.430 -9.720 1.00 12.00 O ATOM 665 CB ILE A 42 -12.489 -4.144 -9.130 1.00 12.00 C ATOM 666 CG1 ILE A 42 -13.840 -3.491 -8.816 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.678 -5.659 -9.203 1.00 12.00 C ATOM 668 CD1 ILE A 42 -14.790 -3.695 -10.003 1.00 12.00 C ATOM 0 H ILE A 42 -11.857 -1.725 -8.256 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.594 -4.504 -7.206 1.00 12.00 H new ATOM 0 HB ILE A 42 -12.126 -3.755 -10.081 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -14.268 -3.929 -7.914 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -13.706 -2.427 -8.621 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.413 -5.897 -9.972 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -11.728 -6.133 -9.449 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -13.029 -6.029 -8.239 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -15.752 -3.232 -9.783 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.362 -3.237 -10.895 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.932 -4.762 -10.176 1.00 12.00 H new ATOM 680 N SER A 43 -9.165 -4.649 -7.973 1.00 12.00 N ATOM 681 CA SER A 43 -7.763 -4.831 -8.487 1.00 12.00 C ATOM 682 C SER A 43 -6.936 -5.589 -7.443 1.00 12.00 C ATOM 683 O SER A 43 -7.342 -5.705 -6.302 1.00 12.00 O ATOM 684 CB SER A 43 -7.126 -3.451 -8.726 1.00 12.00 C ATOM 685 OG SER A 43 -5.757 -3.612 -9.082 1.00 12.00 O ATOM 0 H SER A 43 -9.351 -5.100 -7.077 1.00 12.00 H new ATOM 0 HA SER A 43 -7.786 -5.394 -9.420 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.659 -2.926 -9.519 1.00 12.00 H new ATOM 0 HB3 SER A 43 -7.209 -2.840 -7.827 1.00 12.00 H new ATOM 0 HG SER A 43 -5.222 -2.917 -8.646 1.00 12.00 H new ATOM 691 N SER A 44 -5.775 -6.092 -7.826 1.00 12.00 N ATOM 692 CA SER A 44 -4.899 -6.826 -6.856 1.00 12.00 C ATOM 693 C SER A 44 -4.089 -5.788 -6.061 1.00 12.00 C ATOM 694 O SER A 44 -3.440 -4.920 -6.630 1.00 12.00 O ATOM 695 CB SER A 44 -3.969 -7.790 -7.609 1.00 12.00 C ATOM 696 OG SER A 44 -3.614 -7.233 -8.868 1.00 12.00 O ATOM 0 H SER A 44 -5.401 -6.022 -8.772 1.00 12.00 H new ATOM 0 HA SER A 44 -5.504 -7.420 -6.171 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.072 -7.979 -7.019 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.465 -8.750 -7.753 1.00 12.00 H new ATOM 0 HG SER A 44 -3.072 -7.877 -9.370 1.00 12.00 H new ATOM 702 N ALA A 45 -4.170 -5.851 -4.745 1.00 12.00 N ATOM 703 CA ALA A 45 -3.467 -4.860 -3.859 1.00 12.00 C ATOM 704 C ALA A 45 -1.989 -4.703 -4.237 1.00 12.00 C ATOM 705 O ALA A 45 -1.417 -3.642 -4.041 1.00 12.00 O ATOM 706 CB ALA A 45 -3.557 -5.327 -2.400 1.00 12.00 C ATOM 0 H ALA A 45 -4.703 -6.560 -4.242 1.00 12.00 H new ATOM 0 HA ALA A 45 -3.957 -3.895 -3.988 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.048 -4.610 -1.756 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.604 -5.400 -2.105 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.083 -6.304 -2.301 1.00 12.00 H new ATOM 712 N THR A 46 -1.366 -5.749 -4.732 1.00 12.00 N ATOM 713 CA THR A 46 0.094 -5.672 -5.077 1.00 12.00 C ATOM 714 C THR A 46 0.334 -4.914 -6.393 1.00 12.00 C ATOM 715 O THR A 46 1.339 -4.234 -6.522 1.00 12.00 O ATOM 716 CB THR A 46 0.681 -7.082 -5.150 1.00 12.00 C ATOM 717 OG1 THR A 46 2.076 -6.997 -5.409 1.00 12.00 O ATOM 718 CG2 THR A 46 0.004 -7.895 -6.260 1.00 12.00 C ATOM 0 H THR A 46 -1.804 -6.652 -4.912 1.00 12.00 H new ATOM 0 HA THR A 46 0.598 -5.111 -4.290 1.00 12.00 H new ATOM 0 HB THR A 46 0.508 -7.583 -4.198 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.456 -7.899 -5.455 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.437 -8.895 -6.294 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.064 -7.969 -6.057 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.158 -7.400 -7.219 1.00 12.00 H new ATOM 726 N THR A 47 -0.571 -4.998 -7.356 1.00 12.00 N ATOM 727 CA THR A 47 -0.379 -4.249 -8.644 1.00 12.00 C ATOM 728 C THR A 47 -0.413 -2.757 -8.326 1.00 12.00 C ATOM 729 O THR A 47 0.317 -1.971 -8.917 1.00 12.00 O ATOM 730 CB THR A 47 -1.472 -4.616 -9.657 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.640 -6.023 -9.660 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.048 -4.155 -11.054 1.00 12.00 C ATOM 0 H THR A 47 -1.427 -5.550 -7.301 1.00 12.00 H new ATOM 0 HA THR A 47 0.577 -4.515 -9.094 1.00 12.00 H new ATOM 0 HB THR A 47 -2.408 -4.129 -9.383 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.450 -6.257 -9.161 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.824 -4.415 -11.774 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.902 -3.075 -11.052 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.116 -4.646 -11.332 1.00 12.00 H new ATOM 740 N VAL A 48 -1.222 -2.378 -7.356 1.00 12.00 N ATOM 741 CA VAL A 48 -1.288 -0.946 -6.932 1.00 12.00 C ATOM 742 C VAL A 48 0.024 -0.622 -6.202 1.00 12.00 C ATOM 743 O VAL A 48 0.560 0.472 -6.302 1.00 12.00 O ATOM 744 CB VAL A 48 -2.472 -0.738 -5.976 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.660 0.758 -5.720 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.749 -1.314 -6.601 1.00 12.00 C ATOM 0 H VAL A 48 -1.839 -3.006 -6.842 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.423 -0.296 -7.797 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.270 -1.248 -5.034 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.500 0.908 -5.042 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.754 1.167 -5.272 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.860 1.266 -6.663 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.587 -1.165 -5.920 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.953 -0.807 -7.544 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.616 -2.380 -6.784 1.00 12.00 H new ATOM 756 N LYS A 49 0.538 -1.597 -5.474 1.00 12.00 N ATOM 757 CA LYS A 49 1.814 -1.430 -4.717 1.00 12.00 C ATOM 758 C LYS A 49 2.980 -1.226 -5.692 1.00 12.00 C ATOM 759 O LYS A 49 4.015 -0.700 -5.315 1.00 12.00 O ATOM 760 CB LYS A 49 2.065 -2.689 -3.878 1.00 12.00 C ATOM 761 CG LYS A 49 3.127 -2.399 -2.816 1.00 12.00 C ATOM 762 CD LYS A 49 3.979 -3.652 -2.585 1.00 12.00 C ATOM 763 CE LYS A 49 4.937 -3.411 -1.416 1.00 12.00 C ATOM 764 NZ LYS A 49 5.698 -2.149 -1.642 1.00 12.00 N ATOM 0 H LYS A 49 0.110 -2.518 -5.377 1.00 12.00 H new ATOM 0 HA LYS A 49 1.738 -0.558 -4.067 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.139 -3.010 -3.401 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.393 -3.506 -4.520 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.759 -1.571 -3.136 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.650 -2.094 -1.884 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.337 -4.507 -2.372 1.00 12.00 H new ATOM 0 HD3 LYS A 49 4.542 -3.893 -3.487 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.378 -3.348 -0.482 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.626 -4.250 -1.319 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.575 -2.168 -1.083 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.932 -2.061 -2.651 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.118 -1.337 -1.349 1.00 12.00 H new ATOM 778 N ALA A 50 2.823 -1.644 -6.939 1.00 12.00 N ATOM 779 CA ALA A 50 3.922 -1.487 -7.943 1.00 12.00 C ATOM 780 C ALA A 50 3.911 -0.061 -8.512 1.00 12.00 C ATOM 781 O ALA A 50 4.961 0.521 -8.727 1.00 12.00 O ATOM 782 CB ALA A 50 3.751 -2.516 -9.070 1.00 12.00 C ATOM 0 H ALA A 50 1.976 -2.087 -7.296 1.00 12.00 H new ATOM 0 HA ALA A 50 4.881 -1.660 -7.455 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.554 -2.396 -9.797 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.787 -3.522 -8.652 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.791 -2.361 -9.561 1.00 12.00 H new ATOM 788 N ILE A 51 2.738 0.504 -8.754 1.00 12.00 N ATOM 789 CA ILE A 51 2.660 1.896 -9.310 1.00 12.00 C ATOM 790 C ILE A 51 3.128 2.923 -8.257 1.00 12.00 C ATOM 791 O ILE A 51 3.452 4.049 -8.599 1.00 12.00 O ATOM 792 CB ILE A 51 1.211 2.187 -9.739 1.00 12.00 C ATOM 793 CG1 ILE A 51 1.101 3.605 -10.315 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.275 2.054 -8.535 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.900 3.698 -11.615 1.00 12.00 C ATOM 0 H ILE A 51 1.836 0.057 -8.589 1.00 12.00 H new ATOM 0 HA ILE A 51 3.316 1.978 -10.176 1.00 12.00 H new ATOM 0 HB ILE A 51 0.924 1.467 -10.505 1.00 12.00 H new ATOM 0 HG12 ILE A 51 0.056 3.852 -10.501 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.476 4.331 -9.594 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -0.749 2.261 -8.846 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.336 1.041 -8.137 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.571 2.765 -7.764 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.819 4.707 -12.020 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.947 3.470 -11.416 1.00 12.00 H new ATOM 0 HD13 ILE A 51 1.504 2.984 -12.337 1.00 12.00 H new ATOM 807 N CYS A 52 3.165 2.546 -6.988 1.00 12.00 N ATOM 808 CA CYS A 52 3.604 3.499 -5.914 1.00 12.00 C ATOM 809 C CYS A 52 5.085 3.287 -5.561 1.00 12.00 C ATOM 810 O CYS A 52 5.548 3.772 -4.540 1.00 12.00 O ATOM 811 CB CYS A 52 2.754 3.271 -4.664 1.00 12.00 C ATOM 812 SG CYS A 52 2.481 4.848 -3.825 1.00 12.00 S ATOM 0 H CYS A 52 2.908 1.616 -6.656 1.00 12.00 H new ATOM 0 HA CYS A 52 3.477 4.518 -6.281 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.799 2.822 -4.938 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.254 2.572 -3.994 1.00 12.00 H new ATOM 817 N THR A 53 5.828 2.581 -6.391 1.00 12.00 N ATOM 818 CA THR A 53 7.284 2.346 -6.107 1.00 12.00 C ATOM 819 C THR A 53 8.032 3.678 -6.181 1.00 12.00 C ATOM 820 O THR A 53 8.229 4.216 -7.259 1.00 12.00 O ATOM 821 CB THR A 53 7.862 1.384 -7.147 1.00 12.00 C ATOM 822 OG1 THR A 53 7.023 0.243 -7.259 1.00 12.00 O ATOM 823 CG2 THR A 53 9.263 0.948 -6.720 1.00 12.00 C ATOM 0 H THR A 53 5.486 2.158 -7.254 1.00 12.00 H new ATOM 0 HA THR A 53 7.395 1.914 -5.113 1.00 12.00 H new ATOM 0 HB THR A 53 7.918 1.888 -8.112 1.00 12.00 H new ATOM 0 HG1 THR A 53 6.461 0.327 -8.058 1.00 12.00 H new ATOM 0 HG21 THR A 53 9.673 0.263 -7.462 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.908 1.823 -6.639 1.00 12.00 H new ATOM 0 HG23 THR A 53 9.209 0.446 -5.754 1.00 12.00 H new ATOM 831 N GLY A 54 8.443 4.213 -5.044 1.00 12.00 N ATOM 832 CA GLY A 54 9.177 5.522 -5.040 1.00 12.00 C ATOM 833 C GLY A 54 10.109 5.627 -3.824 1.00 12.00 C ATOM 834 O GLY A 54 11.314 5.739 -3.983 1.00 12.00 O ATOM 0 H GLY A 54 8.300 3.797 -4.124 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.758 5.620 -5.957 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.461 6.344 -5.026 1.00 12.00 H new ATOM 838 N VAL A 55 9.563 5.622 -2.619 1.00 12.00 N ATOM 839 CA VAL A 55 10.418 5.751 -1.393 1.00 12.00 C ATOM 840 C VAL A 55 9.575 5.402 -0.136 1.00 12.00 C ATOM 841 O VAL A 55 8.460 4.923 -0.264 1.00 12.00 O ATOM 842 CB VAL A 55 10.980 7.196 -1.370 1.00 12.00 C ATOM 843 CG1 VAL A 55 9.947 8.199 -0.834 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.253 7.255 -0.518 1.00 12.00 C ATOM 0 H VAL A 55 8.563 5.534 -2.438 1.00 12.00 H new ATOM 0 HA VAL A 55 11.258 5.056 -1.401 1.00 12.00 H new ATOM 0 HB VAL A 55 11.216 7.474 -2.397 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.378 9.200 -0.833 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.062 8.185 -1.471 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.667 7.924 0.183 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.638 8.275 -0.510 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.023 6.945 0.502 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.004 6.587 -0.939 1.00 12.00 H new ATOM 854 N ILE A 56 10.104 5.616 1.065 1.00 12.00 N ATOM 855 CA ILE A 56 9.347 5.278 2.327 1.00 12.00 C ATOM 856 C ILE A 56 8.483 6.483 2.791 1.00 12.00 C ATOM 857 O ILE A 56 8.271 6.676 3.975 1.00 12.00 O ATOM 858 CB ILE A 56 10.373 4.888 3.418 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.642 4.369 4.662 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.238 6.099 3.799 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.599 3.520 5.504 1.00 12.00 C ATOM 0 H ILE A 56 11.031 6.012 1.220 1.00 12.00 H new ATOM 0 HA ILE A 56 8.669 4.445 2.140 1.00 12.00 H new ATOM 0 HB ILE A 56 11.018 4.103 3.022 1.00 12.00 H new ATOM 0 HG12 ILE A 56 9.268 5.206 5.252 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.777 3.775 4.367 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.954 5.807 4.567 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.774 6.454 2.919 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.600 6.896 4.181 1.00 12.00 H new ATOM 0 HD11 ILE A 56 10.077 3.152 6.388 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.952 2.675 4.913 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.450 4.128 5.812 1.00 12.00 H new ATOM 873 N ASN A 57 7.986 7.273 1.856 1.00 12.00 N ATOM 874 CA ASN A 57 7.134 8.483 2.182 1.00 12.00 C ATOM 875 C ASN A 57 6.966 9.281 0.889 1.00 12.00 C ATOM 876 O ASN A 57 7.944 9.795 0.365 1.00 12.00 O ATOM 877 CB ASN A 57 7.846 9.383 3.199 1.00 12.00 C ATOM 878 CG ASN A 57 6.819 10.254 3.921 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.231 9.836 4.899 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.573 11.456 3.477 1.00 12.00 N ATOM 0 H ASN A 57 8.137 7.129 0.858 1.00 12.00 H new ATOM 0 HA ASN A 57 6.179 8.160 2.596 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.392 8.774 3.920 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.579 10.011 2.693 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.888 12.044 3.951 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.066 11.807 2.656 1.00 12.00 H new ATOM 887 N MET A 58 5.763 9.374 0.355 1.00 12.00 N ATOM 888 CA MET A 58 5.583 10.131 -0.933 1.00 12.00 C ATOM 889 C MET A 58 4.117 10.495 -1.197 1.00 12.00 C ATOM 890 O MET A 58 3.221 10.157 -0.446 1.00 12.00 O ATOM 891 CB MET A 58 6.085 9.249 -2.083 1.00 12.00 C ATOM 892 CG MET A 58 6.840 10.102 -3.102 1.00 12.00 C ATOM 893 SD MET A 58 8.232 9.151 -3.763 1.00 12.00 S ATOM 894 CE MET A 58 8.780 10.368 -4.985 1.00 12.00 C ATOM 0 H MET A 58 4.914 8.967 0.747 1.00 12.00 H new ATOM 0 HA MET A 58 6.146 11.061 -0.860 1.00 12.00 H new ATOM 0 HB2 MET A 58 6.738 8.467 -1.695 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.244 8.751 -2.565 1.00 12.00 H new ATOM 0 HG2 MET A 58 6.172 10.400 -3.910 1.00 12.00 H new ATOM 0 HG3 MET A 58 7.200 11.017 -2.632 1.00 12.00 H new ATOM 0 HE1 MET A 58 9.647 9.981 -5.521 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.974 10.562 -5.692 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.050 11.295 -4.479 1.00 12.00 H new ATOM 904 N ASN A 59 3.905 11.163 -2.308 1.00 12.00 N ATOM 905 CA ASN A 59 2.538 11.574 -2.760 1.00 12.00 C ATOM 906 C ASN A 59 2.473 11.300 -4.269 1.00 12.00 C ATOM 907 O ASN A 59 3.131 11.978 -5.043 1.00 12.00 O ATOM 908 CB ASN A 59 2.348 13.071 -2.492 1.00 12.00 C ATOM 909 CG ASN A 59 0.871 13.445 -2.623 1.00 12.00 C ATOM 910 OD1 ASN A 59 0.217 13.068 -3.574 1.00 12.00 O ATOM 911 ND2 ASN A 59 0.314 14.182 -1.699 1.00 12.00 N ATOM 0 H ASN A 59 4.652 11.449 -2.941 1.00 12.00 H new ATOM 0 HA ASN A 59 1.758 11.027 -2.231 1.00 12.00 H new ATOM 0 HB2 ASN A 59 2.706 13.318 -1.493 1.00 12.00 H new ATOM 0 HB3 ASN A 59 2.942 13.653 -3.196 1.00 12.00 H new ATOM 0 HD21 ASN A 59 -0.670 14.440 -1.777 1.00 12.00 H new ATOM 0 HD22 ASN A 59 0.863 14.499 -0.900 1.00 12.00 H new ATOM 918 N VAL A 60 1.726 10.292 -4.686 1.00 12.00 N ATOM 919 CA VAL A 60 1.663 9.940 -6.144 1.00 12.00 C ATOM 920 C VAL A 60 0.207 9.742 -6.569 1.00 12.00 C ATOM 921 O VAL A 60 -0.684 9.718 -5.738 1.00 12.00 O ATOM 922 CB VAL A 60 2.450 8.636 -6.392 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.807 8.519 -7.874 1.00 12.00 C ATOM 924 CG2 VAL A 60 3.748 8.630 -5.572 1.00 12.00 C ATOM 0 H VAL A 60 1.160 9.702 -4.077 1.00 12.00 H new ATOM 0 HA VAL A 60 2.101 10.750 -6.727 1.00 12.00 H new ATOM 0 HB VAL A 60 1.825 7.796 -6.090 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.362 7.596 -8.043 1.00 12.00 H new ATOM 0 HG12 VAL A 60 1.893 8.506 -8.468 1.00 12.00 H new ATOM 0 HG13 VAL A 60 3.420 9.371 -8.169 1.00 12.00 H new ATOM 0 HG21 VAL A 60 4.292 7.704 -5.758 1.00 12.00 H new ATOM 0 HG22 VAL A 60 4.367 9.479 -5.864 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.509 8.703 -4.511 1.00 12.00 H new ATOM 934 N LEU A 61 -0.028 9.605 -7.860 1.00 12.00 N ATOM 935 CA LEU A 61 -1.418 9.407 -8.373 1.00 12.00 C ATOM 936 C LEU A 61 -1.483 8.133 -9.215 1.00 12.00 C ATOM 937 O LEU A 61 -0.752 7.988 -10.180 1.00 12.00 O ATOM 938 CB LEU A 61 -1.825 10.599 -9.246 1.00 12.00 C ATOM 939 CG LEU A 61 -1.545 11.909 -8.508 1.00 12.00 C ATOM 940 CD1 LEU A 61 -0.091 12.325 -8.740 1.00 12.00 C ATOM 941 CD2 LEU A 61 -2.482 12.999 -9.036 1.00 12.00 C ATOM 0 H LEU A 61 0.694 9.623 -8.580 1.00 12.00 H new ATOM 0 HA LEU A 61 -2.097 9.323 -7.524 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -1.274 10.577 -10.186 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -2.884 10.532 -9.496 1.00 12.00 H new ATOM 0 HG LEU A 61 -1.714 11.770 -7.440 1.00 12.00 H new ATOM 0 HD11 LEU A 61 0.109 13.259 -8.214 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.574 11.548 -8.364 1.00 12.00 H new ATOM 0 HD13 LEU A 61 0.081 12.466 -9.807 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -2.285 13.934 -8.512 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -2.312 13.139 -10.104 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.517 12.701 -8.869 1.00 12.00 H new ATOM 953 N SER A 62 -2.372 7.222 -8.860 1.00 12.00 N ATOM 954 CA SER A 62 -2.533 5.941 -9.642 1.00 12.00 C ATOM 955 C SER A 62 -2.811 6.300 -11.114 1.00 12.00 C ATOM 956 O SER A 62 -3.956 6.505 -11.502 1.00 12.00 O ATOM 957 CB SER A 62 -3.711 5.109 -9.088 1.00 12.00 C ATOM 958 OG SER A 62 -4.015 5.495 -7.752 1.00 12.00 O ATOM 0 H SER A 62 -2.996 7.312 -8.058 1.00 12.00 H new ATOM 0 HA SER A 62 -1.622 5.349 -9.556 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.588 5.246 -9.720 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.459 4.049 -9.117 1.00 12.00 H new ATOM 0 HG SER A 62 -3.645 4.835 -7.129 1.00 12.00 H new ATOM 964 N THR A 63 -1.768 6.393 -11.927 1.00 12.00 N ATOM 965 CA THR A 63 -1.946 6.748 -13.372 1.00 12.00 C ATOM 966 C THR A 63 -2.489 5.529 -14.110 1.00 12.00 C ATOM 967 O THR A 63 -3.402 5.639 -14.915 1.00 12.00 O ATOM 968 CB THR A 63 -0.602 7.172 -13.986 1.00 12.00 C ATOM 969 OG1 THR A 63 0.448 6.389 -13.434 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.337 8.657 -13.701 1.00 12.00 C ATOM 0 H THR A 63 -0.801 6.236 -11.642 1.00 12.00 H new ATOM 0 HA THR A 63 -2.644 7.581 -13.461 1.00 12.00 H new ATOM 0 HB THR A 63 -0.643 7.016 -15.064 1.00 12.00 H new ATOM 0 HG1 THR A 63 0.823 6.848 -12.654 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.617 8.947 -14.140 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.135 9.259 -14.136 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.305 8.821 -12.624 1.00 12.00 H new ATOM 978 N THR A 64 -1.940 4.368 -13.820 1.00 12.00 N ATOM 979 CA THR A 64 -2.417 3.112 -14.468 1.00 12.00 C ATOM 980 C THR A 64 -3.849 2.854 -14.009 1.00 12.00 C ATOM 981 O THR A 64 -4.118 2.790 -12.820 1.00 12.00 O ATOM 982 CB THR A 64 -1.523 1.942 -14.049 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.162 2.351 -14.084 1.00 12.00 O ATOM 984 CG2 THR A 64 -1.730 0.770 -15.008 1.00 12.00 C ATOM 0 H THR A 64 -1.176 4.243 -13.156 1.00 12.00 H new ATOM 0 HA THR A 64 -2.380 3.210 -15.553 1.00 12.00 H new ATOM 0 HB THR A 64 -1.783 1.630 -13.037 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.411 1.603 -13.814 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.093 -0.062 -14.708 1.00 12.00 H new ATOM 0 HG22 THR A 64 -2.774 0.457 -14.980 1.00 12.00 H new ATOM 0 HG23 THR A 64 -1.471 1.079 -16.021 1.00 12.00 H new ATOM 992 N ARG A 65 -4.767 2.721 -14.941 1.00 12.00 N ATOM 993 CA ARG A 65 -6.205 2.481 -14.584 1.00 12.00 C ATOM 994 C ARG A 65 -6.320 1.258 -13.667 1.00 12.00 C ATOM 995 O ARG A 65 -6.189 0.131 -14.120 1.00 12.00 O ATOM 996 CB ARG A 65 -7.025 2.210 -15.853 1.00 12.00 C ATOM 997 CG ARG A 65 -6.722 3.267 -16.923 1.00 12.00 C ATOM 998 CD ARG A 65 -5.806 2.674 -17.999 1.00 12.00 C ATOM 999 NE ARG A 65 -6.361 2.976 -19.346 1.00 12.00 N ATOM 1000 CZ ARG A 65 -5.586 3.483 -20.262 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -4.495 2.855 -20.605 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.897 4.617 -20.827 1.00 12.00 N ATOM 0 H ARG A 65 -4.579 2.769 -15.942 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.585 3.368 -14.076 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -6.793 1.217 -16.238 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -8.089 2.219 -15.615 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -7.650 3.615 -17.375 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.246 4.134 -16.465 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -4.802 3.089 -17.906 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -5.719 1.596 -17.863 1.00 12.00 H new ATOM 0 HE ARG A 65 -7.342 2.787 -19.551 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -4.253 1.972 -20.156 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -3.885 3.247 -21.322 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -6.748 5.108 -20.552 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -5.289 5.013 -21.544 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.572 1.474 -12.391 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.711 0.308 -11.438 1.00 12.00 C ATOM 1018 C PHE A 66 -8.213 -0.066 -11.289 1.00 12.00 C ATOM 1019 O PHE A 66 -8.680 -0.377 -10.211 1.00 12.00 O ATOM 1020 CB PHE A 66 -6.106 0.683 -10.069 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.587 0.597 -10.129 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.945 -0.652 -10.043 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.815 1.765 -10.275 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.550 -0.729 -10.100 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.418 1.677 -10.334 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.789 0.431 -10.248 1.00 12.00 C ATOM 0 H PHE A 66 -6.687 2.395 -11.969 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.174 -0.555 -11.832 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.411 1.692 -9.792 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.486 0.012 -9.298 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.531 -1.553 -9.933 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.299 2.728 -10.341 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -2.060 -1.689 -10.029 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.826 2.573 -10.446 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.712 0.367 -10.296 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.945 -0.049 -12.401 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.422 -0.400 -12.455 1.00 12.00 C ATOM 1038 C GLN A 67 -11.172 -0.197 -11.121 1.00 12.00 C ATOM 1039 O GLN A 67 -11.036 -1.000 -10.212 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.554 -1.863 -12.885 1.00 12.00 C ATOM 1041 CG GLN A 67 -9.986 -2.033 -14.301 1.00 12.00 C ATOM 1042 CD GLN A 67 -10.932 -2.895 -15.140 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.296 -3.984 -14.740 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -11.349 -2.451 -16.294 1.00 12.00 N ATOM 0 H GLN A 67 -8.559 0.205 -13.310 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.883 0.284 -13.168 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -10.020 -2.508 -12.187 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.601 -2.167 -12.862 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -9.856 -1.058 -14.770 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.001 -2.498 -14.254 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -11.044 -1.537 -16.630 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -11.980 -3.017 -16.860 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.977 0.857 -11.007 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.739 1.090 -9.731 1.00 12.00 C ATOM 1055 C LEU A 68 -14.231 0.714 -9.857 1.00 12.00 C ATOM 1056 O LEU A 68 -14.817 0.739 -10.928 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.625 2.568 -9.274 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.822 3.597 -10.415 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -14.032 3.264 -11.293 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -13.068 4.970 -9.779 1.00 12.00 C ATOM 0 H LEU A 68 -12.132 1.552 -11.737 1.00 12.00 H new ATOM 0 HA LEU A 68 -12.285 0.438 -8.984 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.366 2.756 -8.497 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.645 2.724 -8.823 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.930 3.582 -11.041 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -14.129 4.014 -12.078 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.895 2.281 -11.744 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.935 3.260 -10.682 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -13.210 5.714 -10.563 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.960 4.927 -9.154 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -12.209 5.247 -9.167 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.835 0.409 -8.729 1.00 12.00 N ATOM 1073 CA ASN A 69 -16.303 0.085 -8.662 1.00 12.00 C ATOM 1074 C ASN A 69 -16.887 1.118 -7.698 1.00 12.00 C ATOM 1075 O ASN A 69 -16.717 0.987 -6.503 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.523 -1.323 -8.091 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.882 -1.854 -8.549 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.958 -2.686 -9.432 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.967 -1.406 -7.980 1.00 12.00 N ATOM 0 H ASN A 69 -14.359 0.370 -7.828 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.767 0.112 -9.648 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.729 -1.990 -8.425 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.480 -1.296 -7.002 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -19.879 -1.754 -8.276 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -18.903 -0.708 -7.239 1.00 12.00 H new ATOM 1086 N THR A 70 -17.499 2.179 -8.196 1.00 12.00 N ATOM 1087 CA THR A 70 -17.984 3.257 -7.262 1.00 12.00 C ATOM 1088 C THR A 70 -19.494 3.265 -7.054 1.00 12.00 C ATOM 1089 O THR A 70 -20.271 3.364 -7.988 1.00 12.00 O ATOM 1090 CB THR A 70 -17.568 4.619 -7.826 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.224 4.552 -8.280 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.687 5.683 -6.733 1.00 12.00 C ATOM 0 H THR A 70 -17.680 2.342 -9.187 1.00 12.00 H new ATOM 0 HA THR A 70 -17.532 3.053 -6.292 1.00 12.00 H new ATOM 0 HB THR A 70 -18.220 4.882 -8.659 1.00 12.00 H new ATOM 0 HG1 THR A 70 -16.099 5.175 -9.026 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.391 6.652 -7.135 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.719 5.734 -6.386 1.00 12.00 H new ATOM 0 HG23 THR A 70 -17.036 5.422 -5.899 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.882 3.274 -5.798 1.00 12.00 N ATOM 1101 CA CYS A 71 -21.322 3.408 -5.420 1.00 12.00 C ATOM 1102 C CYS A 71 -21.427 4.861 -4.967 1.00 12.00 C ATOM 1103 O CYS A 71 -20.910 5.206 -3.918 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.689 2.470 -4.253 1.00 12.00 C ATOM 1105 SG CYS A 71 -21.664 0.744 -4.804 1.00 12.00 S ATOM 0 H CYS A 71 -19.245 3.192 -5.006 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.993 3.148 -6.239 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.985 2.607 -3.432 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.678 2.723 -3.871 1.00 12.00 H new ATOM 1110 N THR A 72 -22.014 5.723 -5.768 1.00 12.00 N ATOM 1111 CA THR A 72 -22.060 7.178 -5.403 1.00 12.00 C ATOM 1112 C THR A 72 -23.449 7.604 -4.927 1.00 12.00 C ATOM 1113 O THR A 72 -24.461 7.148 -5.435 1.00 12.00 O ATOM 1114 CB THR A 72 -21.667 8.010 -6.633 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.578 7.384 -7.300 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.253 9.419 -6.205 1.00 12.00 C ATOM 0 H THR A 72 -22.461 5.484 -6.653 1.00 12.00 H new ATOM 0 HA THR A 72 -21.363 7.345 -4.582 1.00 12.00 H new ATOM 0 HB THR A 72 -22.523 8.077 -7.304 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.328 7.913 -8.086 1.00 12.00 H new ATOM 0 HG21 THR A 72 -20.976 10.000 -7.085 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.086 9.904 -5.697 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.401 9.358 -5.528 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.487 8.505 -3.962 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.783 9.019 -3.431 1.00 12.00 C ATOM 1126 C ARG A 73 -25.496 9.788 -4.545 1.00 12.00 C ATOM 1127 O ARG A 73 -25.106 10.895 -4.879 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.512 9.964 -2.253 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.736 10.009 -1.324 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.304 11.432 -1.281 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.271 11.612 -2.400 1.00 12.00 N ATOM 1132 CZ ARG A 73 -28.269 12.445 -2.278 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -29.252 12.172 -1.464 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.286 13.548 -2.973 1.00 12.00 N ATOM 0 H ARG A 73 -22.659 8.905 -3.520 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.404 8.190 -3.092 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.636 9.626 -1.699 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.288 10.965 -2.623 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.498 9.314 -1.677 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.454 9.690 -0.321 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -26.799 11.609 -0.326 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -25.497 12.160 -1.362 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.153 11.083 -3.264 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -29.241 11.308 -0.923 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -30.031 12.823 -1.369 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.520 13.760 -3.612 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -29.066 14.199 -2.878 1.00 12.00 H new ATOM 1148 N THR A 74 -26.527 9.204 -5.124 1.00 12.00 N ATOM 1149 CA THR A 74 -27.271 9.891 -6.234 1.00 12.00 C ATOM 1150 C THR A 74 -28.785 9.719 -6.047 1.00 12.00 C ATOM 1151 O THR A 74 -29.454 10.614 -5.555 1.00 12.00 O ATOM 1152 CB THR A 74 -26.843 9.303 -7.589 1.00 12.00 C ATOM 1153 OG1 THR A 74 -26.619 7.906 -7.461 1.00 12.00 O ATOM 1154 CG2 THR A 74 -25.559 9.984 -8.060 1.00 12.00 C ATOM 0 H THR A 74 -26.884 8.282 -4.874 1.00 12.00 H new ATOM 0 HA THR A 74 -27.033 10.955 -6.211 1.00 12.00 H new ATOM 0 HB THR A 74 -27.635 9.474 -8.318 1.00 12.00 H new ATOM 0 HG1 THR A 74 -26.198 7.566 -8.278 1.00 12.00 H new ATOM 0 HG21 THR A 74 -25.257 9.566 -9.020 1.00 12.00 H new ATOM 0 HG22 THR A 74 -25.734 11.054 -8.169 1.00 12.00 H new ATOM 0 HG23 THR A 74 -24.769 9.818 -7.327 1.00 12.00 H new ATOM 1162 N SER A 75 -29.328 8.585 -6.452 1.00 12.00 N ATOM 1163 CA SER A 75 -30.804 8.342 -6.322 1.00 12.00 C ATOM 1164 C SER A 75 -31.095 6.850 -6.519 1.00 12.00 C ATOM 1165 O SER A 75 -30.256 6.109 -7.002 1.00 12.00 O ATOM 1166 CB SER A 75 -31.539 9.151 -7.391 1.00 12.00 C ATOM 1167 OG SER A 75 -32.796 9.575 -6.881 1.00 12.00 O ATOM 0 H SER A 75 -28.805 7.815 -6.869 1.00 12.00 H new ATOM 0 HA SER A 75 -31.142 8.648 -5.332 1.00 12.00 H new ATOM 0 HB2 SER A 75 -30.942 10.015 -7.683 1.00 12.00 H new ATOM 0 HB3 SER A 75 -31.683 8.546 -8.286 1.00 12.00 H new ATOM 0 HG SER A 75 -33.268 10.095 -7.565 1.00 12.00 H new ATOM 1173 N ILE A 76 -32.287 6.420 -6.153 1.00 12.00 N ATOM 1174 CA ILE A 76 -32.690 4.977 -6.307 1.00 12.00 C ATOM 1175 C ILE A 76 -31.903 4.097 -5.328 1.00 12.00 C ATOM 1176 O ILE A 76 -30.812 4.440 -4.906 1.00 12.00 O ATOM 1177 CB ILE A 76 -32.419 4.495 -7.743 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -32.968 5.511 -8.749 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -33.105 3.146 -7.969 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -32.424 5.192 -10.143 1.00 12.00 C ATOM 0 H ILE A 76 -33.008 7.017 -5.748 1.00 12.00 H new ATOM 0 HA ILE A 76 -33.756 4.898 -6.092 1.00 12.00 H new ATOM 0 HB ILE A 76 -31.343 4.391 -7.884 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -34.058 5.480 -8.756 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -32.680 6.521 -8.457 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -32.912 2.806 -8.986 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -32.713 2.415 -7.262 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -34.179 3.255 -7.820 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -32.814 5.914 -10.860 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -31.335 5.245 -10.130 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -32.734 4.188 -10.434 1.00 12.00 H new ATOM 1192 N THR A 77 -32.463 2.954 -4.990 1.00 12.00 N ATOM 1193 CA THR A 77 -31.796 1.985 -4.059 1.00 12.00 C ATOM 1194 C THR A 77 -31.389 2.680 -2.725 1.00 12.00 C ATOM 1195 O THR A 77 -30.212 2.727 -2.392 1.00 12.00 O ATOM 1196 CB THR A 77 -30.558 1.371 -4.753 1.00 12.00 C ATOM 1197 OG1 THR A 77 -29.511 2.330 -4.802 1.00 12.00 O ATOM 1198 CG2 THR A 77 -30.908 0.935 -6.179 1.00 12.00 C ATOM 0 H THR A 77 -33.375 2.648 -5.329 1.00 12.00 H new ATOM 0 HA THR A 77 -32.501 1.191 -3.815 1.00 12.00 H new ATOM 0 HB THR A 77 -30.235 0.501 -4.182 1.00 12.00 H new ATOM 0 HG1 THR A 77 -29.836 3.187 -4.454 1.00 12.00 H new ATOM 0 HG21 THR A 77 -30.027 0.505 -6.655 1.00 12.00 H new ATOM 0 HG22 THR A 77 -31.703 0.190 -6.147 1.00 12.00 H new ATOM 0 HG23 THR A 77 -31.244 1.799 -6.752 1.00 12.00 H new ATOM 1206 N PRO A 78 -32.369 3.183 -1.974 1.00 12.00 N ATOM 1207 CA PRO A 78 -32.106 3.836 -0.672 1.00 12.00 C ATOM 1208 C PRO A 78 -31.934 2.762 0.411 1.00 12.00 C ATOM 1209 O PRO A 78 -32.894 2.111 0.792 1.00 12.00 O ATOM 1210 CB PRO A 78 -33.365 4.668 -0.420 1.00 12.00 C ATOM 1211 CG PRO A 78 -34.492 4.029 -1.265 1.00 12.00 C ATOM 1212 CD PRO A 78 -33.809 3.163 -2.342 1.00 12.00 C ATOM 0 HA PRO A 78 -31.201 4.444 -0.662 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -33.625 4.666 0.638 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -33.207 5.707 -0.707 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -35.147 3.422 -0.640 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -35.113 4.798 -1.725 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -34.204 2.147 -2.345 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -33.970 3.570 -3.340 1.00 12.00 H new ATOM 1220 N ARG A 79 -30.716 2.557 0.885 1.00 12.00 N ATOM 1221 CA ARG A 79 -30.467 1.500 1.919 1.00 12.00 C ATOM 1222 C ARG A 79 -29.399 1.960 2.956 1.00 12.00 C ATOM 1223 O ARG A 79 -28.398 1.280 3.145 1.00 12.00 O ATOM 1224 CB ARG A 79 -29.993 0.225 1.199 1.00 12.00 C ATOM 1225 CG ARG A 79 -30.209 -0.995 2.105 1.00 12.00 C ATOM 1226 CD ARG A 79 -31.397 -1.817 1.598 1.00 12.00 C ATOM 1227 NE ARG A 79 -30.980 -2.600 0.400 1.00 12.00 N ATOM 1228 CZ ARG A 79 -31.441 -3.807 0.215 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -30.913 -4.812 0.858 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -32.427 -4.010 -0.616 1.00 12.00 N ATOM 0 H ARG A 79 -29.889 3.079 0.596 1.00 12.00 H new ATOM 0 HA ARG A 79 -31.389 1.309 2.467 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -30.542 0.098 0.266 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -28.938 0.314 0.939 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -29.310 -1.611 2.121 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -30.391 -0.670 3.129 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -31.750 -2.489 2.381 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -32.228 -1.158 1.345 1.00 12.00 H new ATOM 0 HE ARG A 79 -30.334 -2.192 -0.276 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -30.140 -4.654 1.505 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -31.273 -5.755 0.714 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -32.838 -3.225 -1.121 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -32.787 -4.954 -0.760 1.00 12.00 H new ATOM 1244 N PRO A 80 -29.646 3.074 3.646 1.00 12.00 N ATOM 1245 CA PRO A 80 -30.835 3.946 3.473 1.00 12.00 C ATOM 1246 C PRO A 80 -30.590 4.990 2.375 1.00 12.00 C ATOM 1247 O PRO A 80 -31.456 5.254 1.559 1.00 12.00 O ATOM 1248 CB PRO A 80 -30.951 4.657 4.821 1.00 12.00 C ATOM 1249 CG PRO A 80 -29.543 4.627 5.460 1.00 12.00 C ATOM 1250 CD PRO A 80 -28.741 3.538 4.726 1.00 12.00 C ATOM 0 HA PRO A 80 -31.725 3.385 3.188 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -31.295 5.683 4.689 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -31.678 4.157 5.461 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -29.055 5.597 5.364 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -29.607 4.407 6.526 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -27.811 3.936 4.321 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -28.473 2.722 5.397 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.422 5.599 2.384 1.00 12.00 N ATOM 1259 CA CYS A 81 -29.083 6.655 1.381 1.00 12.00 C ATOM 1260 C CYS A 81 -29.117 6.054 -0.042 1.00 12.00 C ATOM 1261 O CYS A 81 -28.841 4.877 -0.192 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.677 7.188 1.685 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.697 8.118 3.241 1.00 12.00 S ATOM 0 H CYS A 81 -28.681 5.402 3.057 1.00 12.00 H new ATOM 0 HA CYS A 81 -29.808 7.467 1.438 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.971 6.360 1.754 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -27.337 7.829 0.872 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.446 6.861 -1.058 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.500 6.374 -2.458 1.00 12.00 C ATOM 1270 C PRO A 82 -28.087 6.195 -3.020 1.00 12.00 C ATOM 1271 O PRO A 82 -27.239 7.051 -2.848 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.236 7.484 -3.208 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.061 8.765 -2.366 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.781 8.307 -0.926 1.00 12.00 C ATOM 0 HA PRO A 82 -29.993 5.406 -2.547 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.824 7.617 -4.208 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.291 7.239 -3.328 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.239 9.370 -2.747 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -30.958 9.383 -2.409 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.957 8.867 -0.483 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.650 8.457 -0.285 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.840 5.084 -3.688 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.478 4.821 -4.276 1.00 12.00 C ATOM 1284 C TYR A 83 -26.604 4.112 -5.626 1.00 12.00 C ATOM 1285 O TYR A 83 -27.412 3.214 -5.797 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.652 3.947 -3.322 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.955 4.822 -2.309 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.675 5.428 -1.272 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.581 5.036 -2.420 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -25.012 6.249 -0.350 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.920 5.857 -1.506 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.635 6.463 -0.469 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.982 7.271 0.440 1.00 12.00 O ATOM 0 H TYR A 83 -28.525 4.347 -3.851 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.978 5.779 -4.420 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -26.300 3.232 -2.815 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.918 3.370 -3.885 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.739 5.263 -1.183 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -23.026 4.564 -3.217 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.564 6.716 0.452 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.857 6.024 -1.600 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.995 8.198 0.122 1.00 12.00 H new ATOM 1303 N SER A 84 -25.783 4.513 -6.574 1.00 12.00 N ATOM 1304 CA SER A 84 -25.793 3.878 -7.942 1.00 12.00 C ATOM 1305 C SER A 84 -24.378 3.385 -8.254 1.00 12.00 C ATOM 1306 O SER A 84 -23.422 4.139 -8.160 1.00 12.00 O ATOM 1307 CB SER A 84 -26.227 4.902 -8.999 1.00 12.00 C ATOM 1308 OG SER A 84 -26.748 4.214 -10.129 1.00 12.00 O ATOM 0 H SER A 84 -25.099 5.261 -6.459 1.00 12.00 H new ATOM 0 HA SER A 84 -26.497 3.046 -7.958 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.981 5.572 -8.586 1.00 12.00 H new ATOM 0 HB3 SER A 84 -25.379 5.520 -9.294 1.00 12.00 H new ATOM 0 HG SER A 84 -27.028 4.864 -10.807 1.00 12.00 H new ATOM 1314 N SER A 85 -24.242 2.122 -8.602 1.00 12.00 N ATOM 1315 CA SER A 85 -22.893 1.542 -8.901 1.00 12.00 C ATOM 1316 C SER A 85 -22.514 1.786 -10.362 1.00 12.00 C ATOM 1317 O SER A 85 -23.338 1.669 -11.254 1.00 12.00 O ATOM 1318 CB SER A 85 -22.916 0.035 -8.636 1.00 12.00 C ATOM 1319 OG SER A 85 -23.656 -0.230 -7.450 1.00 12.00 O ATOM 0 H SER A 85 -25.017 1.465 -8.692 1.00 12.00 H new ATOM 0 HA SER A 85 -22.157 2.025 -8.258 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.366 -0.486 -9.481 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.898 -0.342 -8.534 1.00 12.00 H new ATOM 0 HG SER A 85 -23.119 0.016 -6.668 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.260 2.109 -10.598 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.763 2.354 -11.991 1.00 12.00 C ATOM 1327 C ARG A 86 -19.266 2.028 -12.046 1.00 12.00 C ATOM 1328 O ARG A 86 -18.486 2.567 -11.278 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.984 3.824 -12.372 1.00 12.00 C ATOM 1330 CG ARG A 86 -22.346 3.975 -13.064 1.00 12.00 C ATOM 1331 CD ARG A 86 -22.300 5.128 -14.073 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.883 4.679 -15.372 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.009 5.523 -16.361 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -22.071 6.400 -16.595 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -24.069 5.483 -17.121 1.00 12.00 N ATOM 0 H ARG A 86 -20.551 2.214 -9.872 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.308 1.722 -12.692 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -20.945 4.451 -11.481 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.188 4.162 -13.035 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -22.609 3.047 -13.572 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -23.121 4.162 -12.321 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.856 5.983 -13.689 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.271 5.457 -14.219 1.00 12.00 H new ATOM 0 HE ARG A 86 -23.184 3.711 -15.487 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -21.239 6.427 -16.005 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -22.170 7.059 -17.367 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -24.799 4.793 -16.943 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -24.168 6.142 -17.893 1.00 12.00 H new ATOM 1349 N THR A 87 -18.868 1.141 -12.941 1.00 12.00 N ATOM 1350 CA THR A 87 -17.419 0.758 -13.052 1.00 12.00 C ATOM 1351 C THR A 87 -16.749 1.620 -14.121 1.00 12.00 C ATOM 1352 O THR A 87 -17.400 2.083 -15.043 1.00 12.00 O ATOM 1353 CB THR A 87 -17.297 -0.720 -13.442 1.00 12.00 C ATOM 1354 OG1 THR A 87 -18.335 -1.470 -12.820 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.938 -1.255 -12.986 1.00 12.00 C ATOM 0 H THR A 87 -19.488 0.667 -13.598 1.00 12.00 H new ATOM 0 HA THR A 87 -16.931 0.916 -12.090 1.00 12.00 H new ATOM 0 HB THR A 87 -17.384 -0.816 -14.524 1.00 12.00 H new ATOM 0 HG1 THR A 87 -18.254 -2.413 -13.073 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.849 -2.306 -13.262 1.00 12.00 H new ATOM 0 HG22 THR A 87 -15.143 -0.685 -13.466 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.852 -1.156 -11.904 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.452 1.835 -13.997 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.716 2.671 -14.999 1.00 12.00 C ATOM 1365 C GLU A 88 -13.216 2.679 -14.675 1.00 12.00 C ATOM 1366 O GLU A 88 -12.742 1.903 -13.863 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.258 4.107 -14.952 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.498 4.621 -16.376 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.942 6.084 -16.322 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -16.985 6.345 -15.745 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -15.231 6.919 -16.857 1.00 12.00 O ATOM 0 H GLU A 88 -14.875 1.464 -13.242 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.862 2.253 -15.995 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -16.188 4.136 -14.384 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.550 4.756 -14.436 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.586 4.528 -16.966 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.260 4.017 -16.869 1.00 12.00 H new ATOM 1378 N THR A 89 -12.481 3.566 -15.315 1.00 12.00 N ATOM 1379 CA THR A 89 -11.003 3.682 -15.086 1.00 12.00 C ATOM 1380 C THR A 89 -10.747 4.142 -13.651 1.00 12.00 C ATOM 1381 O THR A 89 -11.494 4.943 -13.111 1.00 12.00 O ATOM 1382 CB THR A 89 -10.432 4.712 -16.086 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.544 4.192 -17.402 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.956 5.002 -15.785 1.00 12.00 C ATOM 0 H THR A 89 -12.853 4.225 -15.999 1.00 12.00 H new ATOM 0 HA THR A 89 -10.518 2.718 -15.236 1.00 12.00 H new ATOM 0 HB THR A 89 -10.997 5.640 -15.994 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.185 4.841 -18.042 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.575 5.730 -16.501 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.862 5.403 -14.776 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.381 4.080 -15.864 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.691 3.638 -13.040 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.375 4.047 -11.630 1.00 12.00 C ATOM 1394 C ASN A 90 -8.137 4.948 -11.588 1.00 12.00 C ATOM 1395 O ASN A 90 -7.019 4.502 -11.370 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.166 2.820 -10.739 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.017 3.255 -9.276 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -8.157 2.760 -8.575 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -9.818 4.158 -8.778 1.00 12.00 N ATOM 0 H ASN A 90 -9.043 2.968 -13.454 1.00 12.00 H new ATOM 0 HA ASN A 90 -10.226 4.610 -11.248 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -10.011 2.138 -10.840 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.277 2.276 -11.058 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -9.720 4.445 -7.804 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -10.541 4.576 -9.363 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.366 6.229 -11.741 1.00 12.00 N ATOM 1407 CA TYR A 91 -7.271 7.238 -11.657 1.00 12.00 C ATOM 1408 C TYR A 91 -7.380 7.819 -10.256 1.00 12.00 C ATOM 1409 O TYR A 91 -8.387 8.430 -9.930 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.482 8.345 -12.691 1.00 12.00 C ATOM 1411 CG TYR A 91 -6.146 8.924 -13.080 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -5.501 9.836 -12.234 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.549 8.546 -14.285 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -4.258 10.369 -12.598 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -4.309 9.079 -14.651 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.664 9.990 -13.808 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.440 10.515 -14.168 1.00 12.00 O ATOM 0 H TYR A 91 -9.288 6.624 -11.925 1.00 12.00 H new ATOM 0 HA TYR A 91 -6.295 6.794 -11.852 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -7.988 7.946 -13.570 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -8.124 9.125 -12.280 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -5.962 10.128 -11.302 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -6.046 7.841 -14.935 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -3.759 11.071 -11.947 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -3.850 8.787 -15.584 1.00 12.00 H new ATOM 0 HH TYR A 91 -2.169 10.148 -15.035 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.409 7.576 -9.403 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.538 8.056 -7.983 1.00 12.00 C ATOM 1429 C ILE A 92 -5.335 8.892 -7.538 1.00 12.00 C ATOM 1430 O ILE A 92 -4.349 9.033 -8.235 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.676 6.845 -7.008 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.881 5.513 -7.755 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -7.875 7.059 -6.083 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -6.627 4.354 -6.790 1.00 12.00 C ATOM 0 H ILE A 92 -5.547 7.076 -9.621 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.430 8.681 -7.950 1.00 12.00 H new ATOM 0 HB ILE A 92 -5.746 6.787 -6.442 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -7.895 5.457 -8.152 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -6.202 5.450 -8.605 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -7.967 6.211 -5.404 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -7.730 7.972 -5.505 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.783 7.147 -6.679 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.770 3.408 -7.312 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -5.605 4.410 -6.415 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -7.324 4.417 -5.955 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.442 9.409 -6.334 1.00 12.00 N ATOM 1447 CA CYS A 93 -4.344 10.212 -5.702 1.00 12.00 C ATOM 1448 C CYS A 93 -4.053 9.549 -4.356 1.00 12.00 C ATOM 1449 O CYS A 93 -4.792 9.735 -3.400 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.803 11.661 -5.496 1.00 12.00 C ATOM 1451 SG CYS A 93 -3.538 12.576 -4.581 1.00 12.00 S ATOM 0 H CYS A 93 -6.270 9.304 -5.747 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.454 10.238 -6.330 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.984 12.136 -6.460 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.746 11.680 -4.950 1.00 12.00 H new ATOM 1456 N VAL A 94 -3.016 8.735 -4.290 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.710 8.001 -3.026 1.00 12.00 C ATOM 1458 C VAL A 94 -1.415 8.505 -2.395 1.00 12.00 C ATOM 1459 O VAL A 94 -0.610 9.152 -3.038 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.599 6.491 -3.337 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -1.306 6.179 -4.106 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.610 5.706 -2.026 1.00 12.00 C ATOM 0 H VAL A 94 -2.373 8.553 -5.061 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.515 8.176 -2.312 1.00 12.00 H new ATOM 0 HB VAL A 94 -3.447 6.202 -3.958 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -1.254 5.110 -4.311 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -1.300 6.730 -5.046 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -0.445 6.476 -3.506 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -2.532 4.640 -2.240 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.766 6.015 -1.410 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -3.540 5.902 -1.492 1.00 12.00 H new ATOM 1472 N LYS A 95 -1.218 8.170 -1.144 1.00 12.00 N ATOM 1473 CA LYS A 95 0.018 8.561 -0.422 1.00 12.00 C ATOM 1474 C LYS A 95 0.740 7.269 -0.016 1.00 12.00 C ATOM 1475 O LYS A 95 0.087 6.293 0.340 1.00 12.00 O ATOM 1476 CB LYS A 95 -0.345 9.396 0.811 1.00 12.00 C ATOM 1477 CG LYS A 95 -0.988 10.720 0.365 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.050 11.889 0.680 1.00 12.00 C ATOM 1479 CE LYS A 95 -0.127 12.218 2.173 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.837 13.310 2.489 1.00 12.00 N ATOM 0 H LYS A 95 -1.880 7.630 -0.587 1.00 12.00 H new ATOM 0 HA LYS A 95 0.667 9.168 -1.053 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -1.034 8.842 1.448 1.00 12.00 H new ATOM 0 HB3 LYS A 95 0.548 9.595 1.404 1.00 12.00 H new ATOM 0 HG2 LYS A 95 -1.199 10.690 -0.704 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.942 10.861 0.874 1.00 12.00 H new ATOM 0 HD2 LYS A 95 0.973 11.632 0.406 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -0.329 12.762 0.090 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -1.139 12.524 2.438 1.00 12.00 H new ATOM 0 HE3 LYS A 95 0.103 11.332 2.764 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.786 13.535 3.503 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 1.801 13.002 2.251 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 0.597 14.156 1.934 1.00 12.00 H new ATOM 1494 N CYS A 96 2.058 7.223 -0.096 1.00 12.00 N ATOM 1495 CA CYS A 96 2.775 5.948 0.240 1.00 12.00 C ATOM 1496 C CYS A 96 3.820 6.081 1.350 1.00 12.00 C ATOM 1497 O CYS A 96 4.820 6.764 1.216 1.00 12.00 O ATOM 1498 CB CYS A 96 3.449 5.414 -1.022 1.00 12.00 C ATOM 1499 SG CYS A 96 2.297 4.323 -1.885 1.00 12.00 S ATOM 0 H CYS A 96 2.656 8.001 -0.375 1.00 12.00 H new ATOM 0 HA CYS A 96 2.019 5.261 0.620 1.00 12.00 H new ATOM 0 HB2 CYS A 96 3.743 6.240 -1.670 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.359 4.872 -0.763 1.00 12.00 H new ATOM 1504 N GLU A 97 3.606 5.324 2.402 1.00 12.00 N ATOM 1505 CA GLU A 97 4.570 5.231 3.537 1.00 12.00 C ATOM 1506 C GLU A 97 5.048 3.774 3.495 1.00 12.00 C ATOM 1507 O GLU A 97 4.262 2.891 3.193 1.00 12.00 O ATOM 1508 CB GLU A 97 3.868 5.553 4.862 1.00 12.00 C ATOM 1509 CG GLU A 97 4.799 5.259 6.043 1.00 12.00 C ATOM 1510 CD GLU A 97 4.283 5.979 7.289 1.00 12.00 C ATOM 1511 OE1 GLU A 97 3.350 5.479 7.895 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.829 7.020 7.615 1.00 12.00 O ATOM 0 H GLU A 97 2.772 4.749 2.520 1.00 12.00 H new ATOM 0 HA GLU A 97 5.396 5.938 3.458 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.570 6.601 4.878 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.957 4.961 4.952 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.847 4.185 6.224 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.812 5.589 5.812 1.00 12.00 H new ATOM 1519 N ASN A 98 6.315 3.505 3.720 1.00 12.00 N ATOM 1520 CA ASN A 98 6.814 2.081 3.588 1.00 12.00 C ATOM 1521 C ASN A 98 6.468 1.593 2.152 1.00 12.00 C ATOM 1522 O ASN A 98 6.194 0.433 1.920 1.00 12.00 O ATOM 1523 CB ASN A 98 6.127 1.185 4.629 1.00 12.00 C ATOM 1524 CG ASN A 98 6.677 1.503 6.021 1.00 12.00 C ATOM 1525 OD1 ASN A 98 7.876 1.588 6.207 1.00 12.00 O ATOM 1526 ND2 ASN A 98 5.848 1.678 7.012 1.00 12.00 N ATOM 0 H ASN A 98 7.020 4.192 3.985 1.00 12.00 H new ATOM 0 HA ASN A 98 7.890 2.035 3.758 1.00 12.00 H new ATOM 0 HB2 ASN A 98 5.049 1.345 4.607 1.00 12.00 H new ATOM 0 HB3 ASN A 98 6.298 0.135 4.390 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.205 1.886 7.945 1.00 12.00 H new ATOM 0 HD22 ASN A 98 4.843 1.606 6.855 1.00 12.00 H new ATOM 1533 N GLN A 99 6.457 2.529 1.212 1.00 12.00 N ATOM 1534 CA GLN A 99 6.135 2.288 -0.242 1.00 12.00 C ATOM 1535 C GLN A 99 4.803 1.557 -0.490 1.00 12.00 C ATOM 1536 O GLN A 99 4.496 1.229 -1.626 1.00 12.00 O ATOM 1537 CB GLN A 99 7.294 1.577 -0.963 1.00 12.00 C ATOM 1538 CG GLN A 99 7.539 0.195 -0.359 1.00 12.00 C ATOM 1539 CD GLN A 99 8.499 -0.605 -1.245 1.00 12.00 C ATOM 1540 OE1 GLN A 99 9.447 -1.187 -0.757 1.00 12.00 O ATOM 1541 NE2 GLN A 99 8.291 -0.668 -2.532 1.00 12.00 N ATOM 0 H GLN A 99 6.672 3.506 1.414 1.00 12.00 H new ATOM 0 HA GLN A 99 6.005 3.282 -0.670 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.064 1.480 -2.024 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.200 2.178 -0.887 1.00 12.00 H new ATOM 0 HG2 GLN A 99 7.956 0.296 0.643 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.594 -0.339 -0.259 1.00 12.00 H new ATOM 0 HE21 GLN A 99 7.496 -0.180 -2.945 1.00 12.00 H new ATOM 0 HE22 GLN A 99 8.924 -1.205 -3.125 1.00 12.00 H new ATOM 1550 N TYR A 100 3.979 1.393 0.516 1.00 12.00 N ATOM 1551 CA TYR A 100 2.622 0.794 0.311 1.00 12.00 C ATOM 1552 C TYR A 100 1.653 1.959 0.589 1.00 12.00 C ATOM 1553 O TYR A 100 1.910 2.729 1.501 1.00 12.00 O ATOM 1554 CB TYR A 100 2.410 -0.449 1.254 1.00 12.00 C ATOM 1555 CG TYR A 100 1.282 -0.273 2.281 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.049 -0.060 1.870 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.579 -0.301 3.649 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.058 0.128 2.814 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.562 -0.119 4.592 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.754 0.100 4.173 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.751 0.296 5.101 1.00 12.00 O ATOM 0 H TYR A 100 4.190 1.651 1.480 1.00 12.00 H new ATOM 0 HA TYR A 100 2.466 0.393 -0.691 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.195 -1.324 0.641 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.341 -0.652 1.784 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.289 -0.042 0.817 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.595 -0.463 3.977 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.075 0.295 2.491 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.794 -0.148 5.646 1.00 12.00 H new ATOM 0 HH TYR A 100 -1.467 0.976 5.747 1.00 12.00 H new ATOM 1571 N PRO A 101 0.580 2.081 -0.179 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.387 3.180 0.026 1.00 12.00 C ATOM 1573 C PRO A 101 -0.973 3.061 1.430 1.00 12.00 C ATOM 1574 O PRO A 101 -1.945 2.372 1.646 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.421 2.973 -1.090 1.00 12.00 C ATOM 1576 CG PRO A 101 -1.275 1.500 -1.530 1.00 12.00 C ATOM 1577 CD PRO A 101 0.198 1.144 -1.268 1.00 12.00 C ATOM 0 HA PRO A 101 0.036 4.183 -0.031 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.430 3.176 -0.731 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -1.237 3.650 -1.924 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.943 0.852 -0.963 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.528 1.377 -2.583 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.314 0.104 -0.964 1.00 12.00 H new ATOM 0 HD3 PRO A 101 0.812 1.287 -2.157 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.339 3.715 2.384 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.789 3.643 3.812 1.00 12.00 C ATOM 1587 C VAL A 102 -1.821 4.729 4.108 1.00 12.00 C ATOM 1588 O VAL A 102 -2.547 4.637 5.086 1.00 12.00 O ATOM 1589 CB VAL A 102 0.425 3.836 4.740 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.022 3.788 6.209 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.454 2.726 4.490 1.00 12.00 C ATOM 0 H VAL A 102 0.481 4.302 2.227 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.244 2.668 3.984 1.00 12.00 H new ATOM 0 HB VAL A 102 0.875 4.806 4.530 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.843 3.925 6.857 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.745 4.582 6.395 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.482 2.822 6.418 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.310 2.868 5.149 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.999 1.756 4.690 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.785 2.764 3.452 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.871 5.759 3.300 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.834 6.872 3.547 1.00 12.00 C ATOM 1603 C HIS A 103 -3.397 7.301 2.205 1.00 12.00 C ATOM 1604 O HIS A 103 -2.689 7.259 1.222 1.00 12.00 O ATOM 1605 CB HIS A 103 -2.115 8.072 4.234 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.610 7.858 4.296 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.314 7.574 3.319 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.111 7.902 5.484 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.576 7.445 3.882 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.402 7.649 5.184 1.00 12.00 N flip ATOM 0 H HIS A 103 -1.282 5.876 2.476 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.633 6.539 4.209 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -2.331 8.989 3.686 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.507 8.203 5.243 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.289 8.102 6.467 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.502 7.226 3.371 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.154 7.618 5.873 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.651 7.710 2.146 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.221 8.142 0.822 1.00 12.00 C ATOM 1620 C PHE A 104 -5.425 9.660 0.832 1.00 12.00 C ATOM 1621 O PHE A 104 -5.931 10.211 1.796 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.555 7.420 0.511 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.448 6.707 -0.827 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.829 7.342 -1.912 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.951 5.408 -0.978 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.708 6.694 -3.135 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.831 4.752 -2.211 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.208 5.396 -3.288 1.00 12.00 C ATOM 0 H PHE A 104 -5.290 7.762 2.939 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.516 7.870 0.037 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.785 6.703 1.299 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.373 8.140 0.487 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.443 8.344 -1.797 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.430 4.913 -0.146 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -5.229 7.191 -3.966 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -7.218 3.751 -2.331 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.114 4.890 -4.237 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.005 10.338 -0.223 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.135 11.832 -0.277 1.00 12.00 C ATOM 1640 C ALA A 105 -6.324 12.267 -1.147 1.00 12.00 C ATOM 1641 O ALA A 105 -6.786 13.391 -1.027 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.851 12.429 -0.857 1.00 12.00 C ATOM 0 H ALA A 105 -4.578 9.915 -1.047 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.304 12.192 0.738 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.941 13.515 -0.898 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.006 12.159 -0.224 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.691 12.040 -1.862 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.814 11.403 -2.017 1.00 12.00 N ATOM 1649 CA GLY A 106 -7.969 11.786 -2.897 1.00 12.00 C ATOM 1650 C GLY A 106 -8.325 10.637 -3.843 1.00 12.00 C ATOM 1651 O GLY A 106 -7.640 9.628 -3.899 1.00 12.00 O ATOM 0 H GLY A 106 -6.464 10.455 -2.153 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.833 12.041 -2.283 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -7.715 12.675 -3.474 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.403 10.796 -4.585 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.852 9.733 -5.542 1.00 12.00 C ATOM 1657 C ILE A 107 -9.368 10.058 -6.965 1.00 12.00 C ATOM 1658 O ILE A 107 -9.969 9.635 -7.943 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.386 9.632 -5.519 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -12.002 11.025 -5.685 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.835 9.033 -4.186 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -13.351 10.910 -6.396 1.00 12.00 C ATOM 0 H ILE A 107 -9.994 11.627 -4.565 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.424 8.778 -5.238 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.717 8.994 -6.338 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -12.133 11.494 -4.710 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -11.331 11.664 -6.259 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.922 8.961 -4.168 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.403 8.039 -4.070 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.500 9.672 -3.369 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -13.787 11.902 -6.513 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -13.207 10.459 -7.378 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -14.022 10.286 -5.805 1.00 12.00 H new ATOM 1674 N GLY A 108 -8.277 10.791 -7.080 1.00 12.00 N ATOM 1675 CA GLY A 108 -7.726 11.143 -8.430 1.00 12.00 C ATOM 1676 C GLY A 108 -7.218 12.587 -8.430 1.00 12.00 C ATOM 1677 O GLY A 108 -6.031 12.829 -8.578 1.00 12.00 O ATOM 0 H GLY A 108 -7.745 11.160 -6.292 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.914 10.463 -8.688 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -8.498 11.021 -9.190 1.00 12.00 H new ATOM 1681 N ARG A 109 -8.115 13.539 -8.271 1.00 12.00 N ATOM 1682 CA ARG A 109 -7.717 14.983 -8.266 1.00 12.00 C ATOM 1683 C ARG A 109 -6.766 15.244 -7.096 1.00 12.00 C ATOM 1684 O ARG A 109 -6.903 14.656 -6.036 1.00 12.00 O ATOM 1685 CB ARG A 109 -8.967 15.857 -8.127 1.00 12.00 C ATOM 1686 CG ARG A 109 -9.721 15.874 -9.460 1.00 12.00 C ATOM 1687 CD ARG A 109 -11.001 16.705 -9.325 1.00 12.00 C ATOM 1688 NE ARG A 109 -12.123 15.824 -8.894 1.00 12.00 N ATOM 1689 CZ ARG A 109 -12.540 14.865 -9.677 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -13.189 15.150 -10.775 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -12.312 13.621 -9.358 1.00 12.00 N ATOM 0 H ARG A 109 -9.113 13.372 -8.144 1.00 12.00 H new ATOM 0 HA ARG A 109 -7.212 15.227 -9.201 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -9.610 15.470 -7.337 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -8.686 16.871 -7.841 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -9.086 16.292 -10.241 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -9.968 14.856 -9.761 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -10.853 17.505 -8.599 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -11.242 17.179 -10.277 1.00 12.00 H new ATOM 0 HE ARG A 109 -12.566 15.970 -7.987 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -13.371 16.123 -11.022 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -13.514 14.400 -11.385 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -11.809 13.399 -8.499 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -12.637 12.870 -9.968 1.00 12.00 H new ATOM 1705 N CYS A 110 -5.802 16.121 -7.293 1.00 12.00 N ATOM 1706 CA CYS A 110 -4.815 16.440 -6.212 1.00 12.00 C ATOM 1707 C CYS A 110 -3.958 17.653 -6.639 1.00 12.00 C ATOM 1708 O CYS A 110 -3.948 17.990 -7.810 1.00 12.00 O ATOM 1709 CB CYS A 110 -3.910 15.219 -5.999 1.00 12.00 C ATOM 1710 SG CYS A 110 -4.303 14.440 -4.414 1.00 12.00 S ATOM 0 H CYS A 110 -5.659 16.631 -8.165 1.00 12.00 H new ATOM 0 HA CYS A 110 -5.338 16.681 -5.287 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -4.049 14.505 -6.811 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -2.863 15.522 -6.017 1.00 12.00 H new ATOM 1715 N PRO A 111 -3.247 18.277 -5.694 1.00 12.00 N ATOM 1716 CA PRO A 111 -2.384 19.439 -6.008 1.00 12.00 C ATOM 1717 C PRO A 111 -1.081 18.965 -6.657 1.00 12.00 C ATOM 1718 O PRO A 111 -0.479 18.046 -6.125 1.00 12.00 O ATOM 1719 CB PRO A 111 -2.105 20.074 -4.647 1.00 12.00 C ATOM 1720 CG PRO A 111 -2.318 18.964 -3.596 1.00 12.00 C ATOM 1721 CD PRO A 111 -3.226 17.906 -4.250 1.00 12.00 C ATOM 1722 OXT PRO A 111 -0.705 19.531 -7.669 1.00 12.00 O ATOM 0 HA PRO A 111 -2.848 20.136 -6.706 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -1.088 20.462 -4.601 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -2.775 20.914 -4.466 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -1.366 18.526 -3.297 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -2.780 19.367 -2.695 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -2.833 16.900 -4.104 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -4.228 17.922 -3.821 1.00 12.00 H new TER 1730 PRO A 111