USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=29 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 38 ASN : amide:sc= -4.33! C(o=-3.2!,f=-4.6!) USER MOD Set 1.2: A 83 TYR OH : rot -105:sc= 1.17 USER MOD Set 2.1: A 74 THR OG1 : rot -130:sc= 0.0163 USER MOD Set 2.2: A 84 SER OG : rot 49:sc= -0.288 USER MOD Set 3.1: A 44 SER OG : rot 84:sc= 1.12 USER MOD Set 3.2: A 47 THR OG1 : rot -130:sc= 1.17 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.985 K(o=-0.99,f=-2.4) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 13 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.01) USER MOD Single : A 14 THR OG1 : rot -130:sc= -0.537 USER MOD Single : A 18 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.66) USER MOD Single : A 20 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 43:sc= -2.29 USER MOD Single : A 23 MET CE :methyl 166:sc= -0.0544 (180deg=-0.536) USER MOD Single : A 25 ASN : amide:sc= -2.81 K(o=-2.8,f=-2.1) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 130:sc= -0.285 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 170:sc= -0.311 USER MOD Single : A 43 SER OG : rot 150:sc=-0.00154 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 112:sc= -0.451 USER MOD Single : A 57 ASN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 58 MET CE :methyl -159:sc= -0.464 (180deg=-1.86!) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 62 SER OG : rot -160:sc= -0.75 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 64 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 67 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.29) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= -5.39! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -160:sc= -1.34 USER MOD Single : A 85 SER OG : rot -75:sc= 1.5 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= -2.32 K(o=-2.3,f=0.065) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0756) USER MOD Single : A 98 ASN : amide:sc= -0.0721 X(o=-0.072,f=-0.32) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot -31:sc= -3.1! USER MOD Single : A 103 HIS : no HE2:sc= -13! C(o=-13!,f=-16!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -2.491 4.049 9.033 1.00 12.00 N HETATM 2 CA PCA A 1 -3.383 2.872 8.720 1.00 12.00 C HETATM 3 CB PCA A 1 -4.046 3.133 7.366 1.00 12.00 C HETATM 4 CG PCA A 1 -3.557 4.494 6.947 1.00 12.00 C HETATM 5 CD PCA A 1 -2.585 4.917 8.039 1.00 12.00 C HETATM 6 OE PCA A 1 -1.952 5.953 8.001 1.00 12.00 O HETATM 7 C PCA A 1 -2.544 1.590 8.656 1.00 12.00 C HETATM 8 O PCA A 1 -1.439 1.544 9.168 1.00 12.00 O HETATM 0 H2 PCA A 1 -3.063 4.916 9.076 1.00 12.00 H new HETATM 0 HA PCA A 1 -4.141 2.749 9.494 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -3.767 2.372 6.637 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -5.133 3.112 7.448 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -3.066 4.455 5.975 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -4.383 5.200 6.858 1.00 12.00 H new ATOM 15 N ASN A 2 -3.071 0.559 8.025 1.00 12.00 N ATOM 16 CA ASN A 2 -2.327 -0.737 7.905 1.00 12.00 C ATOM 17 C ASN A 2 -2.604 -1.341 6.509 1.00 12.00 C ATOM 18 O ASN A 2 -3.452 -0.856 5.789 1.00 12.00 O ATOM 19 CB ASN A 2 -2.785 -1.666 9.051 1.00 12.00 C ATOM 20 CG ASN A 2 -2.167 -3.065 8.925 1.00 12.00 C ATOM 21 OD1 ASN A 2 -2.875 -4.042 8.786 1.00 12.00 O ATOM 22 ND2 ASN A 2 -0.870 -3.207 8.985 1.00 12.00 N ATOM 0 H ASN A 2 -3.992 0.564 7.586 1.00 12.00 H new ATOM 0 HA ASN A 2 -1.250 -0.596 7.995 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.504 -1.229 10.009 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.872 -1.746 9.043 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -0.455 -4.136 8.915 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.272 -2.389 9.102 1.00 12.00 H new ATOM 29 N TRP A 3 -1.868 -2.362 6.118 1.00 12.00 N ATOM 30 CA TRP A 3 -2.043 -2.997 4.750 1.00 12.00 C ATOM 31 C TRP A 3 -3.407 -3.722 4.668 1.00 12.00 C ATOM 32 O TRP A 3 -3.936 -3.914 3.594 1.00 12.00 O ATOM 33 CB TRP A 3 -0.924 -4.042 4.539 1.00 12.00 C ATOM 34 CG TRP A 3 -0.149 -3.883 3.253 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.199 -3.768 3.217 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.590 -3.886 1.844 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.622 -3.731 1.905 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.566 -3.800 1.022 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.844 -3.963 1.194 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.485 -3.803 -0.371 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.923 -3.965 -0.214 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.761 -3.894 -0.993 1.00 12.00 C ATOM 0 H TRP A 3 -1.142 -2.792 6.691 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.997 -2.219 3.988 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.229 -3.984 5.376 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.366 -5.038 4.560 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.844 -3.714 4.082 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.599 -3.661 1.622 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.749 -4.021 1.781 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.384 -3.735 -0.966 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.888 -4.022 -0.696 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.829 -3.910 -2.071 1.00 12.00 H new ATOM 53 N ALA A 4 -3.947 -4.154 5.796 1.00 12.00 N ATOM 54 CA ALA A 4 -5.258 -4.908 5.802 1.00 12.00 C ATOM 55 C ALA A 4 -6.437 -3.950 5.579 1.00 12.00 C ATOM 56 O ALA A 4 -7.181 -4.076 4.610 1.00 12.00 O ATOM 57 CB ALA A 4 -5.416 -5.616 7.151 1.00 12.00 C ATOM 0 H ALA A 4 -3.533 -4.016 6.718 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.253 -5.638 4.993 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.359 -6.163 7.167 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.590 -6.312 7.296 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.412 -4.877 7.952 1.00 12.00 H new ATOM 63 N THR A 5 -6.602 -2.992 6.462 1.00 12.00 N ATOM 64 CA THR A 5 -7.705 -1.989 6.324 1.00 12.00 C ATOM 65 C THR A 5 -7.474 -1.228 5.019 1.00 12.00 C ATOM 66 O THR A 5 -8.408 -0.892 4.307 1.00 12.00 O ATOM 67 CB THR A 5 -7.683 -1.014 7.513 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.355 -0.859 7.996 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.571 -1.556 8.631 1.00 12.00 C ATOM 0 H THR A 5 -6.011 -2.862 7.283 1.00 12.00 H new ATOM 0 HA THR A 5 -8.675 -2.486 6.312 1.00 12.00 H new ATOM 0 HB THR A 5 -8.056 -0.044 7.184 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.352 -0.235 8.752 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.556 -0.866 9.474 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.593 -1.661 8.266 1.00 12.00 H new ATOM 0 HG23 THR A 5 -8.199 -2.529 8.952 1.00 12.00 H new ATOM 77 N PHE A 6 -6.218 -1.001 4.696 1.00 12.00 N ATOM 78 CA PHE A 6 -5.862 -0.312 3.425 1.00 12.00 C ATOM 79 C PHE A 6 -6.084 -1.286 2.267 1.00 12.00 C ATOM 80 O PHE A 6 -6.349 -0.871 1.155 1.00 12.00 O ATOM 81 CB PHE A 6 -4.412 0.148 3.462 1.00 12.00 C ATOM 82 CG PHE A 6 -4.123 0.956 2.213 1.00 12.00 C ATOM 83 CD1 PHE A 6 -3.902 0.286 1.009 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.097 2.366 2.247 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.656 1.001 -0.157 1.00 12.00 C ATOM 86 CE2 PHE A 6 -3.852 3.085 1.073 1.00 12.00 C ATOM 87 CZ PHE A 6 -3.632 2.402 -0.128 1.00 12.00 C ATOM 0 H PHE A 6 -5.420 -1.270 5.272 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.490 0.569 3.292 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.230 0.751 4.352 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.745 -0.712 3.518 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -3.922 -0.794 0.983 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.266 2.889 3.177 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.483 0.477 -1.085 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -3.833 4.165 1.093 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.443 2.956 -1.036 1.00 12.00 H new ATOM 97 N GLN A 7 -6.026 -2.584 2.524 1.00 12.00 N ATOM 98 CA GLN A 7 -6.283 -3.593 1.435 1.00 12.00 C ATOM 99 C GLN A 7 -7.640 -3.267 0.817 1.00 12.00 C ATOM 100 O GLN A 7 -7.853 -3.449 -0.369 1.00 12.00 O ATOM 101 CB GLN A 7 -6.313 -5.017 1.996 1.00 12.00 C ATOM 102 CG GLN A 7 -6.446 -6.022 0.841 1.00 12.00 C ATOM 103 CD GLN A 7 -5.270 -7.002 0.861 1.00 12.00 C ATOM 104 OE1 GLN A 7 -4.320 -6.845 0.121 1.00 12.00 O ATOM 105 NE2 GLN A 7 -5.297 -8.013 1.684 1.00 12.00 N ATOM 0 H GLN A 7 -5.812 -2.983 3.438 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.485 -3.542 0.695 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.402 -5.215 2.561 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.148 -5.129 2.687 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.386 -6.567 0.929 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -6.473 -5.492 -0.111 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -6.095 -8.144 2.305 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -4.520 -8.673 1.707 1.00 12.00 H new ATOM 114 N GLN A 8 -8.537 -2.743 1.629 1.00 12.00 N ATOM 115 CA GLN A 8 -9.878 -2.329 1.126 1.00 12.00 C ATOM 116 C GLN A 8 -9.719 -0.963 0.453 1.00 12.00 C ATOM 117 O GLN A 8 -10.332 -0.685 -0.568 1.00 12.00 O ATOM 118 CB GLN A 8 -10.856 -2.212 2.299 1.00 12.00 C ATOM 119 CG GLN A 8 -11.655 -3.508 2.422 1.00 12.00 C ATOM 120 CD GLN A 8 -10.853 -4.518 3.243 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.163 -5.353 2.693 1.00 12.00 O ATOM 122 NE2 GLN A 8 -10.910 -4.471 4.544 1.00 12.00 N ATOM 0 H GLN A 8 -8.388 -2.587 2.626 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.266 -3.064 0.420 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.312 -2.018 3.223 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.530 -1.369 2.143 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.615 -3.313 2.900 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.868 -3.913 1.433 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -11.490 -3.769 5.004 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.375 -5.136 5.102 1.00 12.00 H new ATOM 131 N LYS A 9 -8.878 -0.116 1.032 1.00 12.00 N ATOM 132 CA LYS A 9 -8.620 1.260 0.477 1.00 12.00 C ATOM 133 C LYS A 9 -8.374 1.195 -1.047 1.00 12.00 C ATOM 134 O LYS A 9 -9.034 1.882 -1.810 1.00 12.00 O ATOM 135 CB LYS A 9 -7.405 1.888 1.194 1.00 12.00 C ATOM 136 CG LYS A 9 -7.208 3.324 0.709 1.00 12.00 C ATOM 137 CD LYS A 9 -8.252 4.243 1.356 1.00 12.00 C ATOM 138 CE LYS A 9 -7.812 4.609 2.778 1.00 12.00 C ATOM 139 NZ LYS A 9 -8.991 4.573 3.689 1.00 12.00 N ATOM 0 H LYS A 9 -8.353 -0.330 1.880 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.498 1.882 0.651 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.561 1.876 2.273 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -6.509 1.300 0.995 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.204 3.667 0.960 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.297 3.366 -0.377 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -8.374 5.147 0.759 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.221 3.745 1.382 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -7.050 3.911 3.125 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.363 5.602 2.787 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -8.692 4.821 4.654 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -9.704 5.255 3.361 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -9.401 3.617 3.689 1.00 12.00 H new ATOM 153 N HIS A 10 -7.447 0.361 -1.484 1.00 12.00 N ATOM 154 CA HIS A 10 -7.154 0.212 -2.955 1.00 12.00 C ATOM 155 C HIS A 10 -7.895 -0.995 -3.539 1.00 12.00 C ATOM 156 O HIS A 10 -7.962 -1.130 -4.751 1.00 12.00 O ATOM 157 CB HIS A 10 -5.638 0.007 -3.206 1.00 12.00 C ATOM 158 CG HIS A 10 -5.012 1.235 -3.815 1.00 12.00 C ATOM 159 ND1 HIS A 10 -5.459 1.775 -5.015 1.00 12.00 N ATOM 160 CD2 HIS A 10 -3.930 1.993 -3.446 1.00 12.00 C ATOM 161 CE1 HIS A 10 -4.650 2.807 -5.323 1.00 12.00 C ATOM 162 NE2 HIS A 10 -3.702 2.983 -4.398 1.00 12.00 N ATOM 0 H HIS A 10 -6.876 -0.228 -0.877 1.00 12.00 H new ATOM 0 HA HIS A 10 -7.489 1.130 -3.439 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.140 -0.229 -2.265 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.489 -0.846 -3.868 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -3.343 1.844 -2.552 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -4.755 3.417 -6.208 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -2.968 3.691 -4.391 1.00 12.00 H new ATOM 170 N ILE A 11 -8.392 -1.904 -2.707 1.00 12.00 N ATOM 171 CA ILE A 11 -9.045 -3.130 -3.267 1.00 12.00 C ATOM 172 C ILE A 11 -10.257 -3.625 -2.452 1.00 12.00 C ATOM 173 O ILE A 11 -10.145 -4.541 -1.642 1.00 12.00 O ATOM 174 CB ILE A 11 -7.996 -4.266 -3.325 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.766 -3.827 -4.122 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.600 -5.509 -3.989 1.00 12.00 C ATOM 177 CD1 ILE A 11 -5.724 -3.237 -3.168 1.00 12.00 C ATOM 0 H ILE A 11 -8.370 -1.843 -1.689 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.419 -2.860 -4.254 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.697 -4.501 -2.303 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.344 -4.677 -4.658 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.049 -3.087 -4.871 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.853 -6.302 -4.024 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.461 -5.847 -3.413 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.916 -5.263 -5.003 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -4.847 -2.924 -3.735 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.149 -2.376 -2.652 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -5.433 -3.991 -2.436 1.00 12.00 H new ATOM 189 N ILE A 12 -11.430 -3.113 -2.749 1.00 12.00 N ATOM 190 CA ILE A 12 -12.662 -3.652 -2.102 1.00 12.00 C ATOM 191 C ILE A 12 -13.213 -4.642 -3.137 1.00 12.00 C ATOM 192 O ILE A 12 -14.250 -4.430 -3.742 1.00 12.00 O ATOM 193 CB ILE A 12 -13.685 -2.548 -1.807 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.018 -1.445 -0.961 1.00 12.00 C ATOM 195 CG2 ILE A 12 -14.863 -3.175 -1.049 1.00 12.00 C ATOM 196 CD1 ILE A 12 -14.068 -0.463 -0.412 1.00 12.00 C ATOM 0 H ILE A 12 -11.583 -2.350 -3.408 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.451 -4.112 -1.136 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.046 -2.099 -2.732 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -12.470 -1.897 -0.134 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.291 -0.905 -1.568 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.604 -2.407 -0.828 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.318 -3.952 -1.663 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.505 -3.612 -0.117 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -13.572 0.305 0.181 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -14.598 0.005 -1.242 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -14.779 -1.003 0.214 1.00 12.00 H new ATOM 208 N ASN A 13 -12.453 -5.698 -3.381 1.00 12.00 N ATOM 209 CA ASN A 13 -12.818 -6.721 -4.415 1.00 12.00 C ATOM 210 C ASN A 13 -14.078 -7.490 -3.996 1.00 12.00 C ATOM 211 O ASN A 13 -14.017 -8.586 -3.459 1.00 12.00 O ATOM 212 CB ASN A 13 -11.642 -7.692 -4.612 1.00 12.00 C ATOM 213 CG ASN A 13 -11.827 -8.442 -5.931 1.00 12.00 C ATOM 214 OD1 ASN A 13 -11.869 -9.655 -5.954 1.00 12.00 O ATOM 215 ND2 ASN A 13 -11.940 -7.763 -7.041 1.00 12.00 N ATOM 0 H ASN A 13 -11.578 -5.891 -2.893 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.029 -6.213 -5.356 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -10.700 -7.144 -4.620 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.594 -8.397 -3.782 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -12.064 -8.252 -7.928 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -11.905 -6.744 -7.021 1.00 12.00 H new ATOM 222 N THR A 14 -15.218 -6.908 -4.267 1.00 12.00 N ATOM 223 CA THR A 14 -16.530 -7.544 -3.938 1.00 12.00 C ATOM 224 C THR A 14 -17.575 -6.946 -4.911 1.00 12.00 C ATOM 225 O THR A 14 -18.495 -6.261 -4.488 1.00 12.00 O ATOM 226 CB THR A 14 -16.903 -7.248 -2.472 1.00 12.00 C ATOM 227 OG1 THR A 14 -16.480 -5.937 -2.122 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.224 -8.265 -1.555 1.00 12.00 C ATOM 0 H THR A 14 -15.296 -5.995 -4.714 1.00 12.00 H new ATOM 0 HA THR A 14 -16.488 -8.628 -4.049 1.00 12.00 H new ATOM 0 HB THR A 14 -17.985 -7.319 -2.357 1.00 12.00 H new ATOM 0 HG1 THR A 14 -15.976 -5.969 -1.282 1.00 12.00 H new ATOM 0 HG21 THR A 14 -16.489 -8.054 -0.519 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.556 -9.270 -1.817 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.143 -8.197 -1.674 1.00 12.00 H new ATOM 236 N PRO A 15 -17.386 -7.196 -6.211 1.00 12.00 N ATOM 237 CA PRO A 15 -18.283 -6.656 -7.252 1.00 12.00 C ATOM 238 C PRO A 15 -19.633 -7.386 -7.248 1.00 12.00 C ATOM 239 O PRO A 15 -19.861 -8.312 -8.012 1.00 12.00 O ATOM 240 CB PRO A 15 -17.509 -6.874 -8.560 1.00 12.00 C ATOM 241 CG PRO A 15 -16.483 -7.995 -8.283 1.00 12.00 C ATOM 242 CD PRO A 15 -16.288 -8.042 -6.757 1.00 12.00 C ATOM 0 HA PRO A 15 -18.531 -5.606 -7.098 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.184 -7.157 -9.367 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.007 -5.958 -8.871 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.844 -8.953 -8.658 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.539 -7.791 -8.789 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.350 -9.063 -6.381 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.310 -7.656 -6.470 1.00 12.00 H new ATOM 250 N ILE A 16 -20.527 -6.950 -6.385 1.00 12.00 N ATOM 251 CA ILE A 16 -21.891 -7.568 -6.295 1.00 12.00 C ATOM 252 C ILE A 16 -22.927 -6.460 -6.553 1.00 12.00 C ATOM 253 O ILE A 16 -22.577 -5.376 -7.000 1.00 12.00 O ATOM 254 CB ILE A 16 -22.129 -8.190 -4.897 1.00 12.00 C ATOM 255 CG1 ILE A 16 -20.802 -8.640 -4.258 1.00 12.00 C ATOM 256 CG2 ILE A 16 -23.053 -9.411 -5.029 1.00 12.00 C ATOM 257 CD1 ILE A 16 -21.057 -9.092 -2.820 1.00 12.00 C ATOM 0 H ILE A 16 -20.365 -6.183 -5.732 1.00 12.00 H new ATOM 0 HA ILE A 16 -21.981 -8.366 -7.032 1.00 12.00 H new ATOM 0 HB ILE A 16 -22.587 -7.432 -4.262 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.366 -9.456 -4.835 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -20.083 -7.821 -4.271 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -23.220 -9.849 -4.045 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -24.007 -9.101 -5.455 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -22.588 -10.151 -5.681 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -20.118 -9.411 -2.367 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -21.474 -8.264 -2.247 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.761 -9.924 -2.820 1.00 12.00 H new ATOM 269 N ILE A 17 -24.189 -6.717 -6.276 1.00 12.00 N ATOM 270 CA ILE A 17 -25.251 -5.671 -6.503 1.00 12.00 C ATOM 271 C ILE A 17 -25.614 -5.038 -5.153 1.00 12.00 C ATOM 272 O ILE A 17 -26.751 -4.662 -4.905 1.00 12.00 O ATOM 273 CB ILE A 17 -26.507 -6.296 -7.162 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.127 -7.487 -8.063 1.00 12.00 C ATOM 275 CG2 ILE A 17 -27.207 -5.236 -8.015 1.00 12.00 C ATOM 276 CD1 ILE A 17 -25.105 -7.053 -9.125 1.00 12.00 C ATOM 0 H ILE A 17 -24.530 -7.603 -5.903 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.868 -4.906 -7.179 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.168 -6.652 -6.372 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -25.711 -8.291 -7.456 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -27.019 -7.883 -8.548 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -28.091 -5.670 -8.481 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -27.504 -4.399 -7.384 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -26.525 -4.883 -8.789 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -24.848 -7.906 -9.753 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -25.535 -6.265 -9.743 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -24.206 -6.680 -8.634 1.00 12.00 H new ATOM 288 N ASN A 18 -24.631 -4.918 -4.283 1.00 12.00 N ATOM 289 CA ASN A 18 -24.861 -4.313 -2.925 1.00 12.00 C ATOM 290 C ASN A 18 -23.602 -3.537 -2.503 1.00 12.00 C ATOM 291 O ASN A 18 -22.643 -4.120 -2.019 1.00 12.00 O ATOM 292 CB ASN A 18 -25.145 -5.435 -1.911 1.00 12.00 C ATOM 293 CG ASN A 18 -26.202 -6.392 -2.474 1.00 12.00 C ATOM 294 OD1 ASN A 18 -25.892 -7.507 -2.843 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.445 -6.000 -2.550 1.00 12.00 N ATOM 0 H ASN A 18 -23.671 -5.216 -4.458 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.713 -3.634 -2.958 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.227 -5.981 -1.693 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.493 -5.008 -0.971 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.157 -6.630 -2.919 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.704 -5.064 -2.240 1.00 12.00 H new ATOM 302 N CYS A 19 -23.596 -2.229 -2.702 1.00 12.00 N ATOM 303 CA CYS A 19 -22.383 -1.402 -2.332 1.00 12.00 C ATOM 304 C CYS A 19 -22.322 -1.149 -0.816 1.00 12.00 C ATOM 305 O CYS A 19 -21.281 -0.766 -0.312 1.00 12.00 O ATOM 306 CB CYS A 19 -22.383 -0.045 -3.066 1.00 12.00 C ATOM 307 SG CYS A 19 -22.359 -0.311 -4.857 1.00 12.00 S ATOM 0 H CYS A 19 -24.372 -1.701 -3.101 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.507 -1.975 -2.637 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.267 0.529 -2.787 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.514 0.541 -2.765 1.00 12.00 H new ATOM 312 N ASN A 20 -23.410 -1.353 -0.090 1.00 12.00 N ATOM 313 CA ASN A 20 -23.391 -1.108 1.401 1.00 12.00 C ATOM 314 C ASN A 20 -22.798 -2.321 2.125 1.00 12.00 C ATOM 315 O ASN A 20 -21.921 -2.183 2.961 1.00 12.00 O ATOM 316 CB ASN A 20 -24.816 -0.844 1.915 1.00 12.00 C ATOM 317 CG ASN A 20 -25.777 -1.915 1.390 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.320 -1.782 0.311 1.00 12.00 O ATOM 319 ND2 ASN A 20 -26.012 -2.976 2.113 1.00 12.00 N ATOM 0 H ASN A 20 -24.303 -1.676 -0.463 1.00 12.00 H new ATOM 0 HA ASN A 20 -22.773 -0.233 1.602 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -24.822 -0.843 3.005 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.149 0.143 1.593 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -26.652 -3.694 1.772 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -25.556 -3.087 3.019 1.00 12.00 H new ATOM 326 N THR A 21 -23.277 -3.498 1.800 1.00 12.00 N ATOM 327 CA THR A 21 -22.777 -4.755 2.443 1.00 12.00 C ATOM 328 C THR A 21 -21.270 -4.887 2.217 1.00 12.00 C ATOM 329 O THR A 21 -20.566 -5.442 3.043 1.00 12.00 O ATOM 330 CB THR A 21 -23.494 -5.972 1.826 1.00 12.00 C ATOM 331 OG1 THR A 21 -23.826 -5.703 0.470 1.00 12.00 O ATOM 332 CG2 THR A 21 -24.776 -6.281 2.607 1.00 12.00 C ATOM 0 H THR A 21 -24.007 -3.643 1.103 1.00 12.00 H new ATOM 0 HA THR A 21 -22.981 -4.715 3.513 1.00 12.00 H new ATOM 0 HB THR A 21 -22.825 -6.831 1.875 1.00 12.00 H new ATOM 0 HG1 THR A 21 -23.070 -5.260 0.030 1.00 12.00 H new ATOM 0 HG21 THR A 21 -25.274 -7.142 2.162 1.00 12.00 H new ATOM 0 HG22 THR A 21 -24.526 -6.502 3.645 1.00 12.00 H new ATOM 0 HG23 THR A 21 -25.441 -5.418 2.570 1.00 12.00 H new ATOM 340 N ILE A 22 -20.780 -4.387 1.099 1.00 12.00 N ATOM 341 CA ILE A 22 -19.317 -4.484 0.797 1.00 12.00 C ATOM 342 C ILE A 22 -18.551 -3.382 1.533 1.00 12.00 C ATOM 343 O ILE A 22 -17.438 -3.601 1.986 1.00 12.00 O ATOM 344 CB ILE A 22 -19.084 -4.370 -0.712 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.629 -3.041 -1.238 1.00 12.00 C ATOM 346 CG2 ILE A 22 -19.798 -5.519 -1.423 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.207 -2.872 -2.698 1.00 12.00 C ATOM 0 H ILE A 22 -21.336 -3.916 0.385 1.00 12.00 H new ATOM 0 HA ILE A 22 -18.951 -5.452 1.138 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.012 -4.417 -0.906 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -20.716 -3.021 -1.156 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.248 -2.214 -0.638 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.634 -5.440 -2.498 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -19.404 -6.470 -1.064 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -20.867 -5.468 -1.215 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.592 -1.927 -3.081 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.119 -2.875 -2.765 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.609 -3.694 -3.290 1.00 12.00 H new ATOM 359 N MET A 23 -19.135 -2.206 1.656 1.00 12.00 N ATOM 360 CA MET A 23 -18.445 -1.082 2.367 1.00 12.00 C ATOM 361 C MET A 23 -18.928 -1.001 3.825 1.00 12.00 C ATOM 362 O MET A 23 -18.700 -0.008 4.496 1.00 12.00 O ATOM 363 CB MET A 23 -18.721 0.245 1.635 1.00 12.00 C ATOM 364 CG MET A 23 -20.198 0.641 1.765 1.00 12.00 C ATOM 365 SD MET A 23 -20.367 1.927 3.030 1.00 12.00 S ATOM 366 CE MET A 23 -21.711 1.163 3.974 1.00 12.00 C ATOM 0 H MET A 23 -20.061 -1.980 1.293 1.00 12.00 H new ATOM 0 HA MET A 23 -17.371 -1.267 2.369 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.091 1.032 2.049 1.00 12.00 H new ATOM 0 HB3 MET A 23 -18.457 0.147 0.582 1.00 12.00 H new ATOM 0 HG2 MET A 23 -20.574 1.004 0.809 1.00 12.00 H new ATOM 0 HG3 MET A 23 -20.797 -0.229 2.033 1.00 12.00 H new ATOM 0 HE1 MET A 23 -21.808 1.663 4.938 1.00 12.00 H new ATOM 0 HE2 MET A 23 -22.645 1.258 3.420 1.00 12.00 H new ATOM 0 HE3 MET A 23 -21.490 0.108 4.133 1.00 12.00 H new ATOM 376 N ASP A 24 -19.580 -2.043 4.312 1.00 12.00 N ATOM 377 CA ASP A 24 -20.073 -2.049 5.728 1.00 12.00 C ATOM 378 C ASP A 24 -18.852 -2.024 6.659 1.00 12.00 C ATOM 379 O ASP A 24 -18.308 -3.060 7.013 1.00 12.00 O ATOM 380 CB ASP A 24 -20.908 -3.323 5.963 1.00 12.00 C ATOM 381 CG ASP A 24 -22.390 -3.100 5.591 1.00 12.00 C ATOM 382 OD1 ASP A 24 -22.767 -1.976 5.282 1.00 12.00 O ATOM 383 OD2 ASP A 24 -23.132 -4.066 5.636 1.00 12.00 O ATOM 0 H ASP A 24 -19.789 -2.889 3.783 1.00 12.00 H new ATOM 0 HA ASP A 24 -20.700 -1.180 5.928 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -20.501 -4.142 5.369 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -20.834 -3.621 7.009 1.00 12.00 H new ATOM 388 N ASN A 25 -18.409 -0.838 7.031 1.00 12.00 N ATOM 389 CA ASN A 25 -17.209 -0.701 7.914 1.00 12.00 C ATOM 390 C ASN A 25 -17.130 0.732 8.437 1.00 12.00 C ATOM 391 O ASN A 25 -17.682 1.645 7.842 1.00 12.00 O ATOM 392 CB ASN A 25 -15.951 -1.013 7.096 1.00 12.00 C ATOM 393 CG ASN A 25 -14.727 -1.072 8.013 1.00 12.00 C ATOM 394 OD1 ASN A 25 -14.809 -1.532 9.136 1.00 12.00 O ATOM 395 ND2 ASN A 25 -13.582 -0.630 7.575 1.00 12.00 N ATOM 0 H ASN A 25 -18.836 0.046 6.754 1.00 12.00 H new ATOM 0 HA ASN A 25 -17.285 -1.392 8.754 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -16.072 -1.964 6.577 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -15.806 -0.249 6.332 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -12.757 -0.670 8.174 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -13.511 -0.244 6.634 1.00 12.00 H new ATOM 402 N ASN A 26 -16.439 0.930 9.536 1.00 12.00 N ATOM 403 CA ASN A 26 -16.298 2.305 10.117 1.00 12.00 C ATOM 404 C ASN A 26 -15.347 3.151 9.257 1.00 12.00 C ATOM 405 O ASN A 26 -15.256 4.353 9.451 1.00 12.00 O ATOM 406 CB ASN A 26 -15.742 2.203 11.539 1.00 12.00 C ATOM 407 CG ASN A 26 -16.793 1.567 12.451 1.00 12.00 C ATOM 408 OD1 ASN A 26 -16.725 0.389 12.746 1.00 12.00 O ATOM 409 ND2 ASN A 26 -17.766 2.301 12.914 1.00 12.00 N ATOM 0 H ASN A 26 -15.964 0.194 10.058 1.00 12.00 H new ATOM 0 HA ASN A 26 -17.278 2.782 10.137 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -14.831 1.605 11.543 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -15.475 3.193 11.909 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -18.471 1.887 13.524 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -17.822 3.289 12.666 1.00 12.00 H new ATOM 416 N ILE A 27 -14.639 2.542 8.313 1.00 12.00 N ATOM 417 CA ILE A 27 -13.695 3.322 7.444 1.00 12.00 C ATOM 418 C ILE A 27 -14.436 3.897 6.222 1.00 12.00 C ATOM 419 O ILE A 27 -13.810 4.418 5.312 1.00 12.00 O ATOM 420 CB ILE A 27 -12.553 2.410 6.976 1.00 12.00 C ATOM 421 CG1 ILE A 27 -11.883 1.774 8.201 1.00 12.00 C ATOM 422 CG2 ILE A 27 -11.519 3.234 6.198 1.00 12.00 C ATOM 423 CD1 ILE A 27 -10.795 0.790 7.755 1.00 12.00 C ATOM 0 H ILE A 27 -14.680 1.542 8.114 1.00 12.00 H new ATOM 0 HA ILE A 27 -13.287 4.149 8.024 1.00 12.00 H new ATOM 0 HB ILE A 27 -12.952 1.630 6.327 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -11.447 2.550 8.830 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -12.628 1.255 8.804 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -10.710 2.583 5.867 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -11.996 3.690 5.330 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -11.116 4.015 6.843 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -10.326 0.344 8.632 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -11.242 0.005 7.144 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -10.043 1.320 7.171 1.00 12.00 H new ATOM 435 N TYR A 28 -15.756 3.816 6.198 1.00 12.00 N ATOM 436 CA TYR A 28 -16.537 4.365 5.039 1.00 12.00 C ATOM 437 C TYR A 28 -17.854 5.004 5.551 1.00 12.00 C ATOM 438 O TYR A 28 -18.943 4.542 5.227 1.00 12.00 O ATOM 439 CB TYR A 28 -16.854 3.224 4.053 1.00 12.00 C ATOM 440 CG TYR A 28 -15.582 2.749 3.402 1.00 12.00 C ATOM 441 CD1 TYR A 28 -14.847 3.622 2.592 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.134 1.438 3.608 1.00 12.00 C ATOM 443 CE1 TYR A 28 -13.668 3.187 1.988 1.00 12.00 C ATOM 444 CE2 TYR A 28 -13.951 1.002 3.001 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.218 1.877 2.191 1.00 12.00 C ATOM 446 OH TYR A 28 -12.051 1.449 1.591 1.00 12.00 O ATOM 0 H TYR A 28 -16.321 3.392 6.934 1.00 12.00 H new ATOM 0 HA TYR A 28 -15.949 5.129 4.530 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.335 2.399 4.579 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -17.555 3.570 3.294 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.193 4.633 2.435 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -15.701 0.765 4.234 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.101 3.861 1.363 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -13.604 -0.009 3.157 1.00 12.00 H new ATOM 0 HH TYR A 28 -11.474 1.027 2.262 1.00 12.00 H new ATOM 456 N ILE A 29 -17.775 6.057 6.362 1.00 12.00 N ATOM 457 CA ILE A 29 -19.029 6.700 6.892 1.00 12.00 C ATOM 458 C ILE A 29 -18.811 8.199 7.097 1.00 12.00 C ATOM 459 O ILE A 29 -17.707 8.654 7.343 1.00 12.00 O ATOM 460 CB ILE A 29 -19.413 6.073 8.241 1.00 12.00 C ATOM 461 CG1 ILE A 29 -19.475 4.545 8.108 1.00 12.00 C ATOM 462 CG2 ILE A 29 -20.785 6.614 8.670 1.00 12.00 C ATOM 463 CD1 ILE A 29 -19.793 3.914 9.467 1.00 12.00 C ATOM 0 H ILE A 29 -16.904 6.488 6.671 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.827 6.540 6.166 1.00 12.00 H new ATOM 0 HB ILE A 29 -18.665 6.330 8.991 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -20.237 4.266 7.381 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -18.524 4.165 7.735 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.066 6.175 9.627 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.734 7.698 8.770 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.530 6.354 7.918 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -19.835 2.830 9.364 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.015 4.180 10.183 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -20.755 4.282 9.823 1.00 12.00 H new ATOM 475 N VAL A 30 -19.885 8.949 7.020 1.00 12.00 N ATOM 476 CA VAL A 30 -19.828 10.435 7.233 1.00 12.00 C ATOM 477 C VAL A 30 -20.463 10.738 8.603 1.00 12.00 C ATOM 478 O VAL A 30 -21.059 9.860 9.211 1.00 12.00 O ATOM 479 CB VAL A 30 -20.623 11.118 6.105 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.547 12.639 6.240 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.028 10.707 4.759 1.00 12.00 C ATOM 0 H VAL A 30 -20.817 8.589 6.815 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.803 10.805 7.217 1.00 12.00 H new ATOM 0 HB VAL A 30 -21.666 10.810 6.171 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.115 13.105 5.434 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.966 12.940 7.200 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.506 12.958 6.182 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.585 11.186 3.954 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.984 11.017 4.713 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.090 9.624 4.649 1.00 12.00 H new ATOM 491 N GLY A 31 -20.337 11.956 9.099 1.00 12.00 N ATOM 492 CA GLY A 31 -20.929 12.295 10.434 1.00 12.00 C ATOM 493 C GLY A 31 -22.352 12.815 10.233 1.00 12.00 C ATOM 494 O GLY A 31 -22.702 13.890 10.688 1.00 12.00 O ATOM 0 H GLY A 31 -19.851 12.723 8.635 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -20.938 11.414 11.076 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.321 13.048 10.935 1.00 12.00 H new ATOM 498 N GLY A 32 -23.163 12.036 9.551 1.00 12.00 N ATOM 499 CA GLY A 32 -24.580 12.420 9.289 1.00 12.00 C ATOM 500 C GLY A 32 -25.371 11.176 8.868 1.00 12.00 C ATOM 501 O GLY A 32 -26.375 10.841 9.479 1.00 12.00 O ATOM 0 H GLY A 32 -22.891 11.134 9.160 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -25.021 12.860 10.183 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.625 13.177 8.506 1.00 12.00 H new ATOM 505 N GLN A 33 -24.924 10.495 7.824 1.00 12.00 N ATOM 506 CA GLN A 33 -25.639 9.265 7.339 1.00 12.00 C ATOM 507 C GLN A 33 -24.726 8.489 6.383 1.00 12.00 C ATOM 508 O GLN A 33 -24.275 7.398 6.694 1.00 12.00 O ATOM 509 CB GLN A 33 -26.921 9.684 6.610 1.00 12.00 C ATOM 510 CG GLN A 33 -27.707 8.441 6.186 1.00 12.00 C ATOM 511 CD GLN A 33 -28.716 8.074 7.278 1.00 12.00 C ATOM 512 OE1 GLN A 33 -29.642 8.816 7.540 1.00 12.00 O ATOM 513 NE2 GLN A 33 -28.573 6.954 7.932 1.00 12.00 N ATOM 0 H GLN A 33 -24.092 10.744 7.289 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.895 8.627 8.185 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.533 10.308 7.261 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.673 10.284 5.735 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.226 8.629 5.246 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -27.025 7.609 6.012 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -27.796 6.331 7.712 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -29.238 6.702 8.663 1.00 12.00 H new ATOM 522 N CYS A 34 -24.462 9.056 5.223 1.00 12.00 N ATOM 523 CA CYS A 34 -23.587 8.386 4.210 1.00 12.00 C ATOM 524 C CYS A 34 -22.740 9.440 3.489 1.00 12.00 C ATOM 525 O CYS A 34 -22.787 10.614 3.822 1.00 12.00 O ATOM 526 CB CYS A 34 -24.464 7.657 3.190 1.00 12.00 C ATOM 527 SG CYS A 34 -25.200 6.193 3.957 1.00 12.00 S ATOM 0 H CYS A 34 -24.822 9.966 4.936 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.932 7.672 4.709 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.247 8.323 2.828 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -23.868 7.366 2.325 1.00 12.00 H new ATOM 532 N LYS A 35 -21.974 9.021 2.502 1.00 12.00 N ATOM 533 CA LYS A 35 -21.115 9.977 1.734 1.00 12.00 C ATOM 534 C LYS A 35 -21.731 10.215 0.353 1.00 12.00 C ATOM 535 O LYS A 35 -22.587 9.464 -0.088 1.00 12.00 O ATOM 536 CB LYS A 35 -19.704 9.394 1.582 1.00 12.00 C ATOM 537 CG LYS A 35 -18.670 10.513 1.741 1.00 12.00 C ATOM 538 CD LYS A 35 -17.355 9.931 2.273 1.00 12.00 C ATOM 539 CE LYS A 35 -16.386 9.688 1.112 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.737 8.357 1.279 1.00 12.00 N ATOM 0 H LYS A 35 -21.910 8.050 2.197 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.053 10.924 2.270 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.536 8.620 2.331 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.597 8.922 0.606 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.500 11.003 0.782 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -19.045 11.273 2.426 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -16.909 10.617 2.993 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.547 8.996 2.799 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -16.921 9.728 0.163 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -15.630 10.473 1.085 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.079 8.191 0.491 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -15.214 8.336 2.178 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.465 7.614 1.285 1.00 12.00 H new ATOM 554 N ARG A 36 -21.300 11.261 -0.320 1.00 12.00 N ATOM 555 CA ARG A 36 -21.843 11.589 -1.681 1.00 12.00 C ATOM 556 C ARG A 36 -21.292 10.609 -2.715 1.00 12.00 C ATOM 557 O ARG A 36 -21.904 10.403 -3.754 1.00 12.00 O ATOM 558 CB ARG A 36 -21.427 13.016 -2.063 1.00 12.00 C ATOM 559 CG ARG A 36 -22.603 13.970 -1.857 1.00 12.00 C ATOM 560 CD ARG A 36 -22.850 14.157 -0.361 1.00 12.00 C ATOM 561 NE ARG A 36 -23.971 15.117 -0.160 1.00 12.00 N ATOM 562 CZ ARG A 36 -23.725 16.342 0.215 1.00 12.00 C ATOM 563 NH1 ARG A 36 -23.118 17.163 -0.599 1.00 12.00 N ATOM 564 NH2 ARG A 36 -24.093 16.749 1.400 1.00 12.00 N ATOM 0 H ARG A 36 -20.588 11.907 0.020 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.930 11.513 -1.660 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.579 13.333 -1.455 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.102 13.044 -3.103 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -22.391 14.932 -2.325 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -23.497 13.572 -2.337 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -23.089 13.200 0.102 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -21.947 14.528 0.124 1.00 12.00 H new ATOM 0 HE ARG A 36 -24.933 14.816 -0.316 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -22.837 16.846 -1.527 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -22.925 18.121 -0.307 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -24.573 16.109 2.033 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -23.900 17.707 1.693 1.00 12.00 H new ATOM 578 N VAL A 37 -20.151 10.006 -2.447 1.00 12.00 N ATOM 579 CA VAL A 37 -19.564 9.037 -3.430 1.00 12.00 C ATOM 580 C VAL A 37 -18.622 8.053 -2.728 1.00 12.00 C ATOM 581 O VAL A 37 -17.531 8.405 -2.306 1.00 12.00 O ATOM 582 CB VAL A 37 -18.825 9.807 -4.550 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.564 10.506 -4.020 1.00 12.00 C ATOM 584 CG2 VAL A 37 -18.426 8.824 -5.655 1.00 12.00 C ATOM 0 H VAL A 37 -19.606 10.143 -1.596 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.372 8.459 -3.879 1.00 12.00 H new ATOM 0 HB VAL A 37 -19.499 10.571 -4.938 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.072 11.036 -4.835 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.842 11.216 -3.241 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.882 9.763 -3.607 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.905 9.360 -6.448 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.769 8.059 -5.241 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -19.320 8.353 -6.063 1.00 12.00 H new ATOM 594 N ASN A 38 -19.042 6.808 -2.640 1.00 12.00 N ATOM 595 CA ASN A 38 -18.193 5.749 -2.014 1.00 12.00 C ATOM 596 C ASN A 38 -17.372 5.125 -3.144 1.00 12.00 C ATOM 597 O ASN A 38 -17.748 4.118 -3.732 1.00 12.00 O ATOM 598 CB ASN A 38 -19.066 4.679 -1.322 1.00 12.00 C ATOM 599 CG ASN A 38 -20.158 5.334 -0.453 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.177 6.536 -0.252 1.00 12.00 O ATOM 601 ND2 ASN A 38 -21.079 4.576 0.082 1.00 12.00 N ATOM 0 H ASN A 38 -19.947 6.482 -2.980 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.547 6.174 -1.246 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.529 4.040 -2.074 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.439 4.038 -0.702 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -21.807 4.991 0.663 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -21.070 3.569 -0.082 1.00 12.00 H new ATOM 608 N THR A 39 -16.274 5.763 -3.478 1.00 12.00 N ATOM 609 CA THR A 39 -15.416 5.286 -4.599 1.00 12.00 C ATOM 610 C THR A 39 -14.478 4.173 -4.132 1.00 12.00 C ATOM 611 O THR A 39 -13.493 4.422 -3.456 1.00 12.00 O ATOM 612 CB THR A 39 -14.586 6.458 -5.130 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.444 7.560 -5.394 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.867 6.045 -6.417 1.00 12.00 C ATOM 0 H THR A 39 -15.936 6.605 -3.012 1.00 12.00 H new ATOM 0 HA THR A 39 -16.058 4.890 -5.386 1.00 12.00 H new ATOM 0 HB THR A 39 -13.844 6.743 -4.384 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.905 8.357 -5.578 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.278 6.883 -6.790 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.208 5.202 -6.211 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.602 5.756 -7.168 1.00 12.00 H new ATOM 622 N PHE A 40 -14.770 2.956 -4.528 1.00 12.00 N ATOM 623 CA PHE A 40 -13.900 1.786 -4.165 1.00 12.00 C ATOM 624 C PHE A 40 -13.001 1.496 -5.377 1.00 12.00 C ATOM 625 O PHE A 40 -13.336 1.886 -6.483 1.00 12.00 O ATOM 626 CB PHE A 40 -14.782 0.562 -3.862 1.00 12.00 C ATOM 627 CG PHE A 40 -15.942 0.957 -2.969 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.708 1.672 -1.786 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.252 0.611 -3.328 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.782 2.036 -0.964 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.324 0.977 -2.504 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.090 1.689 -1.324 1.00 12.00 C ATOM 0 H PHE A 40 -15.584 2.719 -5.095 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.299 2.004 -3.282 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.159 0.138 -4.793 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.187 -0.212 -3.376 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.700 1.942 -1.509 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.435 0.062 -4.240 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.601 2.585 -0.052 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.333 0.709 -2.781 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.918 1.971 -0.690 1.00 12.00 H new ATOM 642 N ILE A 41 -11.866 0.836 -5.197 1.00 12.00 N ATOM 643 CA ILE A 41 -10.968 0.552 -6.364 1.00 12.00 C ATOM 644 C ILE A 41 -10.944 -0.958 -6.619 1.00 12.00 C ATOM 645 O ILE A 41 -10.659 -1.738 -5.726 1.00 12.00 O ATOM 646 CB ILE A 41 -9.560 1.082 -6.052 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.629 2.607 -5.880 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.589 0.740 -7.196 1.00 12.00 C ATOM 649 CD1 ILE A 41 -9.741 2.954 -4.395 1.00 12.00 C ATOM 0 H ILE A 41 -11.532 0.488 -4.298 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.335 1.050 -7.262 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.197 0.615 -5.136 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -8.739 3.071 -6.306 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.487 3.005 -6.422 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.597 1.123 -6.958 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.540 -0.342 -7.321 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -8.942 1.196 -8.121 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -9.790 4.036 -4.277 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -10.644 2.503 -3.983 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -8.869 2.570 -3.865 1.00 12.00 H new ATOM 661 N ILE A 42 -11.250 -1.361 -7.838 1.00 12.00 N ATOM 662 CA ILE A 42 -11.258 -2.821 -8.185 1.00 12.00 C ATOM 663 C ILE A 42 -10.041 -3.146 -9.052 1.00 12.00 C ATOM 664 O ILE A 42 -9.887 -2.622 -10.141 1.00 12.00 O ATOM 665 CB ILE A 42 -12.559 -3.182 -8.929 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.583 -4.687 -9.221 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.662 -2.410 -10.249 1.00 12.00 C ATOM 668 CD1 ILE A 42 -14.011 -5.128 -9.558 1.00 12.00 C ATOM 0 H ILE A 42 -11.495 -0.737 -8.607 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.210 -3.410 -7.269 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.405 -2.911 -8.297 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -11.916 -4.916 -10.052 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -12.216 -5.240 -8.356 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.588 -2.680 -10.757 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.659 -1.339 -10.045 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.813 -2.661 -10.884 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -14.022 -6.198 -9.765 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.667 -4.915 -8.714 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.362 -4.585 -10.436 1.00 12.00 H new ATOM 680 N SER A 43 -9.184 -4.011 -8.557 1.00 12.00 N ATOM 681 CA SER A 43 -7.947 -4.414 -9.304 1.00 12.00 C ATOM 682 C SER A 43 -7.094 -5.289 -8.387 1.00 12.00 C ATOM 683 O SER A 43 -7.183 -5.181 -7.176 1.00 12.00 O ATOM 684 CB SER A 43 -7.139 -3.167 -9.695 1.00 12.00 C ATOM 685 OG SER A 43 -5.914 -3.564 -10.301 1.00 12.00 O ATOM 0 H SER A 43 -9.293 -4.463 -7.649 1.00 12.00 H new ATOM 0 HA SER A 43 -8.225 -4.957 -10.207 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.715 -2.550 -10.385 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.940 -2.559 -8.813 1.00 12.00 H new ATOM 0 HG SER A 43 -5.636 -2.885 -10.951 1.00 12.00 H new ATOM 691 N SER A 44 -6.261 -6.144 -8.953 1.00 12.00 N ATOM 692 CA SER A 44 -5.380 -7.024 -8.116 1.00 12.00 C ATOM 693 C SER A 44 -4.521 -6.132 -7.200 1.00 12.00 C ATOM 694 O SER A 44 -3.780 -5.275 -7.653 1.00 12.00 O ATOM 695 CB SER A 44 -4.502 -7.909 -9.014 1.00 12.00 C ATOM 696 OG SER A 44 -4.263 -7.257 -10.257 1.00 12.00 O ATOM 0 H SER A 44 -6.157 -6.267 -9.960 1.00 12.00 H new ATOM 0 HA SER A 44 -5.989 -7.686 -7.501 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.555 -8.120 -8.517 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.992 -8.867 -9.185 1.00 12.00 H new ATOM 0 HG SER A 44 -3.504 -6.644 -10.164 1.00 12.00 H new ATOM 702 N ALA A 45 -4.683 -6.310 -5.908 1.00 12.00 N ATOM 703 CA ALA A 45 -3.968 -5.478 -4.882 1.00 12.00 C ATOM 704 C ALA A 45 -2.474 -5.311 -5.180 1.00 12.00 C ATOM 705 O ALA A 45 -1.974 -4.200 -5.166 1.00 12.00 O ATOM 706 CB ALA A 45 -4.132 -6.136 -3.509 1.00 12.00 C ATOM 0 H ALA A 45 -5.300 -7.019 -5.511 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.413 -4.483 -4.904 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.616 -5.540 -2.756 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -5.191 -6.198 -3.260 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.705 -7.139 -3.533 1.00 12.00 H new ATOM 712 N THR A 46 -1.762 -6.392 -5.397 1.00 12.00 N ATOM 713 CA THR A 46 -0.283 -6.299 -5.639 1.00 12.00 C ATOM 714 C THR A 46 0.032 -5.481 -6.899 1.00 12.00 C ATOM 715 O THR A 46 1.062 -4.827 -6.953 1.00 12.00 O ATOM 716 CB THR A 46 0.310 -7.700 -5.735 1.00 12.00 C ATOM 717 OG1 THR A 46 1.698 -7.611 -6.027 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.398 -8.494 -6.834 1.00 12.00 C ATOM 0 H THR A 46 -2.141 -7.339 -5.417 1.00 12.00 H new ATOM 0 HA THR A 46 0.172 -5.777 -4.797 1.00 12.00 H new ATOM 0 HB THR A 46 0.172 -8.212 -4.783 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.078 -8.512 -6.087 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.032 -9.494 -6.895 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.460 -8.570 -6.601 1.00 12.00 H new ATOM 0 HG23 THR A 46 -0.271 -7.985 -7.790 1.00 12.00 H new ATOM 726 N THR A 47 -0.844 -5.472 -7.889 1.00 12.00 N ATOM 727 CA THR A 47 -0.587 -4.643 -9.120 1.00 12.00 C ATOM 728 C THR A 47 -0.553 -3.179 -8.678 1.00 12.00 C ATOM 729 O THR A 47 0.239 -2.383 -9.170 1.00 12.00 O ATOM 730 CB THR A 47 -1.685 -4.868 -10.171 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.059 -6.236 -10.161 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.157 -4.501 -11.564 1.00 12.00 C ATOM 0 H THR A 47 -1.718 -5.999 -7.896 1.00 12.00 H new ATOM 0 HA THR A 47 0.358 -4.928 -9.582 1.00 12.00 H new ATOM 0 HB THR A 47 -2.545 -4.241 -9.936 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.047 -6.585 -11.077 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.940 -4.663 -12.304 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.858 -3.453 -11.575 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.297 -5.126 -11.803 1.00 12.00 H new ATOM 740 N VAL A 48 -1.379 -2.849 -7.704 1.00 12.00 N ATOM 741 CA VAL A 48 -1.394 -1.466 -7.149 1.00 12.00 C ATOM 742 C VAL A 48 -0.104 -1.274 -6.341 1.00 12.00 C ATOM 743 O VAL A 48 0.465 -0.196 -6.302 1.00 12.00 O ATOM 744 CB VAL A 48 -2.602 -1.294 -6.222 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.679 0.158 -5.738 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.882 -1.655 -6.981 1.00 12.00 C ATOM 0 H VAL A 48 -2.045 -3.490 -7.273 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.460 -0.734 -7.954 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.495 -1.952 -5.360 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.539 0.277 -5.079 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.768 0.409 -5.195 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.785 0.822 -6.596 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.742 -1.533 -6.323 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.990 -0.999 -7.845 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.826 -2.690 -7.317 1.00 12.00 H new ATOM 756 N LYS A 49 0.360 -2.336 -5.708 1.00 12.00 N ATOM 757 CA LYS A 49 1.617 -2.274 -4.905 1.00 12.00 C ATOM 758 C LYS A 49 2.787 -1.911 -5.828 1.00 12.00 C ATOM 759 O LYS A 49 3.803 -1.413 -5.372 1.00 12.00 O ATOM 760 CB LYS A 49 1.874 -3.642 -4.253 1.00 12.00 C ATOM 761 CG LYS A 49 3.055 -3.543 -3.284 1.00 12.00 C ATOM 762 CD LYS A 49 3.167 -4.845 -2.485 1.00 12.00 C ATOM 763 CE LYS A 49 4.120 -5.809 -3.205 1.00 12.00 C ATOM 764 NZ LYS A 49 4.130 -7.139 -2.517 1.00 12.00 N ATOM 0 H LYS A 49 -0.091 -3.251 -5.719 1.00 12.00 H new ATOM 0 HA LYS A 49 1.521 -1.518 -4.126 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.983 -3.974 -3.721 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.083 -4.387 -5.021 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.978 -3.361 -3.835 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.916 -2.699 -2.608 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.535 -4.637 -1.480 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.184 -5.303 -2.376 1.00 12.00 H new ATOM 0 HE2 LYS A 49 3.810 -5.931 -4.243 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.127 -5.392 -3.220 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 4.779 -7.782 -3.014 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 4.447 -7.019 -1.534 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 3.171 -7.541 -2.525 1.00 12.00 H new ATOM 778 N ALA A 50 2.645 -2.159 -7.123 1.00 12.00 N ATOM 779 CA ALA A 50 3.734 -1.832 -8.092 1.00 12.00 C ATOM 780 C ALA A 50 3.667 -0.343 -8.461 1.00 12.00 C ATOM 781 O ALA A 50 4.697 0.288 -8.646 1.00 12.00 O ATOM 782 CB ALA A 50 3.582 -2.696 -9.354 1.00 12.00 C ATOM 0 H ALA A 50 1.813 -2.576 -7.541 1.00 12.00 H new ATOM 0 HA ALA A 50 4.701 -2.041 -7.634 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.378 -2.455 -10.058 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.644 -3.750 -9.083 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.615 -2.497 -9.817 1.00 12.00 H new ATOM 788 N ILE A 51 2.471 0.219 -8.577 1.00 12.00 N ATOM 789 CA ILE A 51 2.346 1.670 -8.948 1.00 12.00 C ATOM 790 C ILE A 51 2.913 2.570 -7.834 1.00 12.00 C ATOM 791 O ILE A 51 3.325 3.690 -8.099 1.00 12.00 O ATOM 792 CB ILE A 51 0.872 2.022 -9.227 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.789 3.450 -9.778 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.026 1.920 -7.948 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.182 3.466 -11.259 1.00 12.00 C ATOM 0 H ILE A 51 1.586 -0.267 -8.430 1.00 12.00 H new ATOM 0 HA ILE A 51 2.926 1.845 -9.854 1.00 12.00 H new ATOM 0 HB ILE A 51 0.480 1.312 -9.956 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.223 3.836 -9.658 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.450 4.106 -9.211 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.009 2.174 -8.175 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.073 0.902 -7.561 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.413 2.611 -7.200 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.120 4.485 -11.641 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.203 3.099 -11.369 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.504 2.825 -11.822 1.00 12.00 H new ATOM 807 N CYS A 52 2.936 2.097 -6.599 1.00 12.00 N ATOM 808 CA CYS A 52 3.473 2.930 -5.472 1.00 12.00 C ATOM 809 C CYS A 52 4.926 2.528 -5.170 1.00 12.00 C ATOM 810 O CYS A 52 5.417 2.741 -4.070 1.00 12.00 O ATOM 811 CB CYS A 52 2.600 2.733 -4.219 1.00 12.00 C ATOM 812 SG CYS A 52 2.240 4.338 -3.457 1.00 12.00 S ATOM 0 H CYS A 52 2.605 1.171 -6.329 1.00 12.00 H new ATOM 0 HA CYS A 52 3.450 3.981 -5.760 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.670 2.232 -4.488 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.114 2.089 -3.505 1.00 12.00 H new ATOM 817 N THR A 53 5.619 1.964 -6.144 1.00 12.00 N ATOM 818 CA THR A 53 7.046 1.555 -5.938 1.00 12.00 C ATOM 819 C THR A 53 7.961 2.733 -6.271 1.00 12.00 C ATOM 820 O THR A 53 8.082 3.120 -7.422 1.00 12.00 O ATOM 821 CB THR A 53 7.390 0.380 -6.859 1.00 12.00 C ATOM 822 OG1 THR A 53 6.341 -0.577 -6.822 1.00 12.00 O ATOM 823 CG2 THR A 53 8.695 -0.264 -6.386 1.00 12.00 C ATOM 0 H THR A 53 5.250 1.771 -7.075 1.00 12.00 H new ATOM 0 HA THR A 53 7.186 1.255 -4.900 1.00 12.00 H new ATOM 0 HB THR A 53 7.510 0.738 -7.882 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.884 -0.595 -7.689 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.945 -1.101 -7.038 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.497 0.473 -6.418 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.574 -0.624 -5.364 1.00 12.00 H new ATOM 831 N GLY A 54 8.604 3.301 -5.269 1.00 12.00 N ATOM 832 CA GLY A 54 9.520 4.461 -5.510 1.00 12.00 C ATOM 833 C GLY A 54 10.458 4.659 -4.313 1.00 12.00 C ATOM 834 O GLY A 54 11.669 4.628 -4.462 1.00 12.00 O ATOM 0 H GLY A 54 8.530 3.007 -4.295 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.105 4.289 -6.414 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.935 5.366 -5.676 1.00 12.00 H new ATOM 838 N VAL A 55 9.901 4.880 -3.138 1.00 12.00 N ATOM 839 CA VAL A 55 10.739 5.105 -1.919 1.00 12.00 C ATOM 840 C VAL A 55 9.868 4.872 -0.657 1.00 12.00 C ATOM 841 O VAL A 55 8.712 4.496 -0.769 1.00 12.00 O ATOM 842 CB VAL A 55 11.314 6.545 -2.005 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.251 7.596 -1.664 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.513 6.697 -1.064 1.00 12.00 C ATOM 0 H VAL A 55 8.894 4.913 -2.976 1.00 12.00 H new ATOM 0 HA VAL A 55 11.575 4.408 -1.856 1.00 12.00 H new ATOM 0 HB VAL A 55 11.638 6.709 -3.033 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.688 8.592 -1.734 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.420 7.514 -2.365 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.887 7.430 -0.650 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.905 7.711 -1.135 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.198 6.501 -0.039 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.290 5.987 -1.347 1.00 12.00 H new ATOM 854 N ILE A 56 10.418 5.067 0.534 1.00 12.00 N ATOM 855 CA ILE A 56 9.643 4.834 1.811 1.00 12.00 C ATOM 856 C ILE A 56 8.773 6.061 2.186 1.00 12.00 C ATOM 857 O ILE A 56 8.382 6.213 3.329 1.00 12.00 O ATOM 858 CB ILE A 56 10.656 4.530 2.934 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.918 4.125 4.212 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.525 5.761 3.221 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.869 3.353 5.128 1.00 12.00 C ATOM 0 H ILE A 56 11.379 5.380 0.674 1.00 12.00 H new ATOM 0 HA ILE A 56 8.961 3.995 1.671 1.00 12.00 H new ATOM 0 HB ILE A 56 11.295 3.710 2.606 1.00 12.00 H new ATOM 0 HG12 ILE A 56 9.542 5.011 4.724 1.00 12.00 H new ATOM 0 HG13 ILE A 56 9.053 3.509 3.965 1.00 12.00 H new ATOM 0 HG21 ILE A 56 12.234 5.529 4.016 1.00 12.00 H new ATOM 0 HG22 ILE A 56 12.070 6.040 2.319 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.890 6.590 3.532 1.00 12.00 H new ATOM 0 HD11 ILE A 56 10.343 3.065 6.038 1.00 12.00 H new ATOM 0 HD12 ILE A 56 11.223 2.459 4.615 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.719 3.985 5.385 1.00 12.00 H new ATOM 873 N ASN A 57 8.465 6.915 1.232 1.00 12.00 N ATOM 874 CA ASN A 57 7.619 8.138 1.493 1.00 12.00 C ATOM 875 C ASN A 57 7.558 8.964 0.205 1.00 12.00 C ATOM 876 O ASN A 57 8.570 9.488 -0.233 1.00 12.00 O ATOM 877 CB ASN A 57 8.259 8.997 2.582 1.00 12.00 C ATOM 878 CG ASN A 57 7.196 9.908 3.198 1.00 12.00 C ATOM 879 OD1 ASN A 57 7.246 11.112 3.044 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.230 9.379 3.897 1.00 12.00 N ATOM 0 H ASN A 57 8.769 6.816 0.263 1.00 12.00 H new ATOM 0 HA ASN A 57 6.624 7.829 1.812 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.699 8.362 3.350 1.00 12.00 H new ATOM 0 HB3 ASN A 57 9.067 9.595 2.161 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.516 9.976 4.314 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.188 8.368 4.026 1.00 12.00 H new ATOM 887 N MET A 58 6.395 9.071 -0.407 1.00 12.00 N ATOM 888 CA MET A 58 6.282 9.853 -1.684 1.00 12.00 C ATOM 889 C MET A 58 4.817 10.183 -2.000 1.00 12.00 C ATOM 890 O MET A 58 3.914 9.855 -1.249 1.00 12.00 O ATOM 891 CB MET A 58 6.877 9.015 -2.825 1.00 12.00 C ATOM 892 CG MET A 58 7.774 9.892 -3.702 1.00 12.00 C ATOM 893 SD MET A 58 7.934 9.141 -5.340 1.00 12.00 S ATOM 894 CE MET A 58 9.471 8.238 -5.029 1.00 12.00 C ATOM 0 H MET A 58 5.525 8.652 -0.078 1.00 12.00 H new ATOM 0 HA MET A 58 6.825 10.792 -1.575 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.453 8.185 -2.416 1.00 12.00 H new ATOM 0 HB3 MET A 58 6.077 8.583 -3.426 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.350 10.892 -3.789 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.756 10.001 -3.242 1.00 12.00 H new ATOM 0 HE1 MET A 58 9.956 8.007 -5.978 1.00 12.00 H new ATOM 0 HE2 MET A 58 10.136 8.851 -4.421 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.248 7.311 -4.501 1.00 12.00 H new ATOM 904 N ASN A 59 4.602 10.811 -3.135 1.00 12.00 N ATOM 905 CA ASN A 59 3.225 11.178 -3.596 1.00 12.00 C ATOM 906 C ASN A 59 3.151 10.875 -5.096 1.00 12.00 C ATOM 907 O ASN A 59 3.968 11.364 -5.861 1.00 12.00 O ATOM 908 CB ASN A 59 2.990 12.672 -3.348 1.00 12.00 C ATOM 909 CG ASN A 59 1.570 13.050 -3.767 1.00 12.00 C ATOM 910 OD1 ASN A 59 0.634 12.875 -3.013 1.00 12.00 O ATOM 911 ND2 ASN A 59 1.367 13.572 -4.946 1.00 12.00 N ATOM 0 H ASN A 59 5.345 11.091 -3.776 1.00 12.00 H new ATOM 0 HA ASN A 59 2.464 10.614 -3.056 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.141 12.903 -2.294 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.714 13.262 -3.911 1.00 12.00 H new ATOM 0 HD21 ASN A 59 0.423 13.832 -5.233 1.00 12.00 H new ATOM 0 HD22 ASN A 59 2.152 13.720 -5.580 1.00 12.00 H new ATOM 918 N VAL A 60 2.205 10.056 -5.516 1.00 12.00 N ATOM 919 CA VAL A 60 2.104 9.692 -6.964 1.00 12.00 C ATOM 920 C VAL A 60 0.634 9.520 -7.356 1.00 12.00 C ATOM 921 O VAL A 60 -0.227 9.387 -6.503 1.00 12.00 O ATOM 922 CB VAL A 60 2.881 8.383 -7.193 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.294 7.275 -6.317 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.798 7.966 -8.664 1.00 12.00 C ATOM 0 H VAL A 60 1.502 9.627 -4.914 1.00 12.00 H new ATOM 0 HA VAL A 60 2.530 10.482 -7.582 1.00 12.00 H new ATOM 0 HB VAL A 60 3.926 8.545 -6.928 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.846 6.350 -6.482 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.370 7.561 -5.268 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.246 7.123 -6.576 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.352 7.039 -8.811 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.755 7.813 -8.941 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.228 8.749 -9.289 1.00 12.00 H new ATOM 934 N LEU A 61 0.354 9.526 -8.644 1.00 12.00 N ATOM 935 CA LEU A 61 -1.054 9.368 -9.128 1.00 12.00 C ATOM 936 C LEU A 61 -1.141 8.165 -10.068 1.00 12.00 C ATOM 937 O LEU A 61 -0.549 8.169 -11.135 1.00 12.00 O ATOM 938 CB LEU A 61 -1.484 10.624 -9.897 1.00 12.00 C ATOM 939 CG LEU A 61 -1.135 11.882 -9.099 1.00 12.00 C ATOM 940 CD1 LEU A 61 0.292 12.321 -9.434 1.00 12.00 C ATOM 941 CD2 LEU A 61 -2.111 13.001 -9.469 1.00 12.00 C ATOM 0 H LEU A 61 1.049 9.635 -9.382 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.708 9.219 -8.269 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -0.988 10.652 -10.867 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -2.557 10.592 -10.088 1.00 12.00 H new ATOM 0 HG LEU A 61 -1.207 11.669 -8.032 1.00 12.00 H new ATOM 0 HD11 LEU A 61 0.540 13.217 -8.865 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.988 11.523 -9.176 1.00 12.00 H new ATOM 0 HD13 LEU A 61 0.366 12.536 -10.500 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -1.866 13.899 -8.903 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -2.035 13.212 -10.536 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.128 12.689 -9.233 1.00 12.00 H new ATOM 953 N SER A 62 -1.895 7.147 -9.688 1.00 12.00 N ATOM 954 CA SER A 62 -2.062 5.933 -10.558 1.00 12.00 C ATOM 955 C SER A 62 -2.574 6.382 -11.939 1.00 12.00 C ATOM 956 O SER A 62 -3.774 6.511 -12.150 1.00 12.00 O ATOM 957 CB SER A 62 -3.076 4.979 -9.910 1.00 12.00 C ATOM 958 OG SER A 62 -2.875 4.956 -8.503 1.00 12.00 O ATOM 0 H SER A 62 -2.404 7.110 -8.805 1.00 12.00 H new ATOM 0 HA SER A 62 -1.109 5.416 -10.670 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.092 5.302 -10.137 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.961 3.976 -10.321 1.00 12.00 H new ATOM 0 HG SER A 62 -3.278 4.145 -8.128 1.00 12.00 H new ATOM 964 N THR A 63 -1.662 6.635 -12.870 1.00 12.00 N ATOM 965 CA THR A 63 -2.066 7.090 -14.241 1.00 12.00 C ATOM 966 C THR A 63 -2.646 5.901 -14.996 1.00 12.00 C ATOM 967 O THR A 63 -3.734 5.980 -15.541 1.00 12.00 O ATOM 968 CB THR A 63 -0.851 7.644 -15.007 1.00 12.00 C ATOM 969 OG1 THR A 63 0.329 6.952 -14.616 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.691 9.138 -14.710 1.00 12.00 C ATOM 0 H THR A 63 -0.656 6.543 -12.730 1.00 12.00 H new ATOM 0 HA THR A 63 -2.809 7.883 -14.154 1.00 12.00 H new ATOM 0 HB THR A 63 -1.011 7.501 -16.076 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.097 7.310 -15.109 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.170 9.527 -15.254 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.589 9.670 -15.024 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.540 9.282 -13.640 1.00 12.00 H new ATOM 978 N THR A 64 -1.931 4.790 -15.008 1.00 12.00 N ATOM 979 CA THR A 64 -2.431 3.561 -15.704 1.00 12.00 C ATOM 980 C THR A 64 -3.770 3.164 -15.086 1.00 12.00 C ATOM 981 O THR A 64 -3.845 2.831 -13.915 1.00 12.00 O ATOM 982 CB THR A 64 -1.432 2.406 -15.546 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.754 2.511 -14.299 1.00 12.00 O ATOM 984 CG2 THR A 64 -0.418 2.452 -16.689 1.00 12.00 C ATOM 0 H THR A 64 -1.019 4.688 -14.562 1.00 12.00 H new ATOM 0 HA THR A 64 -2.549 3.771 -16.767 1.00 12.00 H new ATOM 0 HB THR A 64 -1.972 1.460 -15.574 1.00 12.00 H new ATOM 0 HG1 THR A 64 -1.332 2.175 -13.583 1.00 12.00 H new ATOM 0 HG21 THR A 64 0.292 1.633 -16.578 1.00 12.00 H new ATOM 0 HG22 THR A 64 -0.939 2.355 -17.642 1.00 12.00 H new ATOM 0 HG23 THR A 64 0.117 3.402 -16.663 1.00 12.00 H new ATOM 992 N ARG A 65 -4.823 3.225 -15.868 1.00 12.00 N ATOM 993 CA ARG A 65 -6.200 2.886 -15.374 1.00 12.00 C ATOM 994 C ARG A 65 -6.197 1.597 -14.531 1.00 12.00 C ATOM 995 O ARG A 65 -6.078 0.501 -15.054 1.00 12.00 O ATOM 996 CB ARG A 65 -7.128 2.708 -16.587 1.00 12.00 C ATOM 997 CG ARG A 65 -6.638 1.546 -17.465 1.00 12.00 C ATOM 998 CD ARG A 65 -6.834 1.885 -18.946 1.00 12.00 C ATOM 999 NE ARG A 65 -5.521 1.805 -19.645 1.00 12.00 N ATOM 1000 CZ ARG A 65 -5.447 1.268 -20.831 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -5.302 -0.023 -20.955 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.518 2.020 -21.894 1.00 12.00 N ATOM 0 H ARG A 65 -4.786 3.501 -16.849 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.552 3.697 -14.737 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -8.146 2.514 -16.250 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -7.156 3.628 -17.171 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.585 1.349 -17.266 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -7.185 0.637 -17.217 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.543 1.192 -19.399 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -7.254 2.885 -19.050 1.00 12.00 H new ATOM 0 HE ARG A 65 -4.681 2.170 -19.196 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -5.247 -0.612 -20.124 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -5.244 -0.443 -21.883 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -5.631 3.029 -21.798 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -5.460 1.599 -22.821 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.349 1.735 -13.230 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.382 0.525 -12.329 1.00 12.00 C ATOM 1018 C PHE A 66 -7.862 0.109 -12.101 1.00 12.00 C ATOM 1019 O PHE A 66 -8.244 -0.279 -11.014 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.704 0.862 -10.980 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.196 0.703 -11.094 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.594 -0.551 -10.876 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.393 1.809 -11.421 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.206 -0.691 -10.986 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.005 1.659 -11.531 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.414 0.410 -11.317 1.00 12.00 C ATOM 0 H PHE A 66 -6.452 2.630 -12.752 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.842 -0.301 -12.792 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.948 1.883 -10.688 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.088 0.206 -10.198 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.204 -1.406 -10.624 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -3.846 2.775 -11.588 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.746 -1.653 -10.814 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.389 2.510 -11.782 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.344 0.297 -11.408 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.678 0.177 -13.151 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.144 -0.209 -13.086 1.00 12.00 C ATOM 1038 C GLN A 67 -10.828 0.249 -11.778 1.00 12.00 C ATOM 1039 O GLN A 67 -10.597 -0.311 -10.717 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.259 -1.733 -13.228 1.00 12.00 C ATOM 1041 CG GLN A 67 -11.366 -2.089 -14.230 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.039 -1.506 -15.613 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.899 -0.946 -16.265 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -9.829 -1.611 -16.085 1.00 12.00 N ATOM 0 H GLN A 67 -8.377 0.493 -14.073 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.659 0.298 -13.902 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.308 -2.147 -13.563 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -10.478 -2.181 -12.259 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -11.469 -3.172 -14.299 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -12.322 -1.699 -13.880 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -9.107 -2.081 -15.538 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -9.604 -1.223 -17.001 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.686 1.264 -11.854 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.387 1.769 -10.630 1.00 12.00 C ATOM 1055 C LEU A 68 -13.781 1.143 -10.489 1.00 12.00 C ATOM 1056 O LEU A 68 -14.480 0.912 -11.464 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.531 3.318 -10.697 1.00 12.00 C ATOM 1058 CG LEU A 68 -13.574 3.762 -11.759 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -15.004 3.624 -11.203 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -13.335 5.232 -12.141 1.00 12.00 C ATOM 0 H LEU A 68 -11.922 1.755 -12.716 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.787 1.488 -9.765 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.827 3.697 -9.719 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.564 3.762 -10.932 1.00 12.00 H new ATOM 0 HG LEU A 68 -13.462 3.123 -12.635 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -15.721 3.940 -11.961 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -15.192 2.584 -10.936 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -15.112 4.251 -10.318 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -14.069 5.538 -12.886 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.434 5.859 -11.255 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -12.332 5.342 -12.553 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.194 0.965 -9.257 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.569 0.455 -8.943 1.00 12.00 C ATOM 1074 C ASN A 69 -16.237 1.568 -8.133 1.00 12.00 C ATOM 1075 O ASN A 69 -15.978 1.697 -6.946 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.494 -0.821 -8.093 1.00 12.00 C ATOM 1077 CG ASN A 69 -16.784 -1.627 -8.263 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.629 -1.633 -7.392 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -16.971 -2.313 -9.357 1.00 12.00 N ATOM 0 H ASN A 69 -13.621 1.157 -8.435 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.119 0.209 -9.851 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -14.636 -1.421 -8.395 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.350 -0.563 -7.044 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -17.827 -2.854 -9.480 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -16.261 -2.308 -10.089 1.00 12.00 H new ATOM 1086 N THR A 70 -17.035 2.414 -8.763 1.00 12.00 N ATOM 1087 CA THR A 70 -17.640 3.563 -8.005 1.00 12.00 C ATOM 1088 C THR A 70 -19.132 3.382 -7.764 1.00 12.00 C ATOM 1089 O THR A 70 -19.917 3.198 -8.681 1.00 12.00 O ATOM 1090 CB THR A 70 -17.415 4.865 -8.788 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.035 4.998 -9.094 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.860 6.059 -7.939 1.00 12.00 C ATOM 0 H THR A 70 -17.287 2.358 -9.750 1.00 12.00 H new ATOM 0 HA THR A 70 -17.150 3.603 -7.032 1.00 12.00 H new ATOM 0 HB THR A 70 -17.996 4.837 -9.710 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.864 5.894 -9.451 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.699 6.982 -8.496 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.918 5.960 -7.698 1.00 12.00 H new ATOM 0 HG23 THR A 70 -17.279 6.086 -7.017 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.509 3.525 -6.518 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.942 3.470 -6.119 1.00 12.00 C ATOM 1102 C CYS A 71 -21.260 4.889 -5.662 1.00 12.00 C ATOM 1103 O CYS A 71 -20.712 5.346 -4.673 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.150 2.479 -4.961 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.793 0.791 -5.520 1.00 12.00 S ATOM 0 H CYS A 71 -18.864 3.681 -5.744 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.584 3.134 -6.933 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.499 2.740 -4.126 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.176 2.542 -4.597 1.00 12.00 H new ATOM 1110 N THR A 72 -22.085 5.608 -6.391 1.00 12.00 N ATOM 1111 CA THR A 72 -22.377 7.033 -6.015 1.00 12.00 C ATOM 1112 C THR A 72 -23.802 7.187 -5.469 1.00 12.00 C ATOM 1113 O THR A 72 -24.732 6.570 -5.960 1.00 12.00 O ATOM 1114 CB THR A 72 -22.207 7.927 -7.254 1.00 12.00 C ATOM 1115 OG1 THR A 72 -21.064 7.507 -7.990 1.00 12.00 O ATOM 1116 CG2 THR A 72 -22.023 9.383 -6.820 1.00 12.00 C ATOM 0 H THR A 72 -22.566 5.273 -7.225 1.00 12.00 H new ATOM 0 HA THR A 72 -21.679 7.331 -5.232 1.00 12.00 H new ATOM 0 HB THR A 72 -23.096 7.845 -7.880 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.957 8.076 -8.781 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.903 10.013 -7.701 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.898 9.708 -6.258 1.00 12.00 H new ATOM 0 HG23 THR A 72 -21.137 9.466 -6.191 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.967 8.029 -4.462 1.00 12.00 N ATOM 1125 CA ARG A 73 -25.316 8.275 -3.863 1.00 12.00 C ATOM 1126 C ARG A 73 -26.205 8.948 -4.915 1.00 12.00 C ATOM 1127 O ARG A 73 -25.976 10.094 -5.269 1.00 12.00 O ATOM 1128 CB ARG A 73 -25.152 9.198 -2.651 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.488 9.355 -1.923 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.330 10.368 -0.784 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.308 10.060 0.298 1.00 12.00 N ATOM 1132 CZ ARG A 73 -28.426 10.729 0.374 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -29.190 10.842 -0.678 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.781 11.283 1.501 1.00 12.00 N ATOM 0 H ARG A 73 -23.210 8.559 -4.030 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.774 7.338 -3.547 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.405 8.789 -1.971 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.789 10.174 -2.974 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -27.257 9.690 -2.619 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -26.814 8.393 -1.527 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.314 10.333 -0.391 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -26.492 11.379 -1.158 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.104 9.328 0.978 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -28.913 10.408 -1.558 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -30.064 11.365 -0.620 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -28.184 11.193 2.324 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -29.655 11.806 1.559 1.00 12.00 H new ATOM 1148 N THR A 74 -27.197 8.239 -5.433 1.00 12.00 N ATOM 1149 CA THR A 74 -28.083 8.832 -6.492 1.00 12.00 C ATOM 1150 C THR A 74 -29.551 8.944 -5.998 1.00 12.00 C ATOM 1151 O THR A 74 -29.822 9.712 -5.089 1.00 12.00 O ATOM 1152 CB THR A 74 -27.973 7.979 -7.766 1.00 12.00 C ATOM 1153 OG1 THR A 74 -28.178 6.611 -7.441 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.585 8.158 -8.381 1.00 12.00 C ATOM 0 H THR A 74 -27.426 7.281 -5.166 1.00 12.00 H new ATOM 0 HA THR A 74 -27.754 9.847 -6.716 1.00 12.00 H new ATOM 0 HB THR A 74 -28.730 8.297 -8.483 1.00 12.00 H new ATOM 0 HG1 THR A 74 -27.458 6.071 -7.829 1.00 12.00 H new ATOM 0 HG21 THR A 74 -26.507 7.553 -9.284 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.431 9.207 -8.632 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.826 7.841 -7.665 1.00 12.00 H new ATOM 1162 N SER A 75 -30.501 8.222 -6.597 1.00 12.00 N ATOM 1163 CA SER A 75 -31.940 8.333 -6.167 1.00 12.00 C ATOM 1164 C SER A 75 -32.651 6.981 -6.342 1.00 12.00 C ATOM 1165 O SER A 75 -32.151 6.095 -7.016 1.00 12.00 O ATOM 1166 CB SER A 75 -32.626 9.387 -7.043 1.00 12.00 C ATOM 1167 OG SER A 75 -32.442 9.048 -8.411 1.00 12.00 O ATOM 0 H SER A 75 -30.332 7.567 -7.360 1.00 12.00 H new ATOM 0 HA SER A 75 -31.989 8.620 -5.117 1.00 12.00 H new ATOM 0 HB2 SER A 75 -33.689 9.437 -6.808 1.00 12.00 H new ATOM 0 HB3 SER A 75 -32.208 10.373 -6.841 1.00 12.00 H new ATOM 0 HG SER A 75 -32.880 9.718 -8.976 1.00 12.00 H new ATOM 1173 N ILE A 76 -33.812 6.827 -5.730 1.00 12.00 N ATOM 1174 CA ILE A 76 -34.583 5.542 -5.828 1.00 12.00 C ATOM 1175 C ILE A 76 -33.734 4.437 -5.172 1.00 12.00 C ATOM 1176 O ILE A 76 -33.149 4.680 -4.133 1.00 12.00 O ATOM 1177 CB ILE A 76 -34.914 5.217 -7.302 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -35.299 6.499 -8.060 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -36.100 4.248 -7.345 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -35.542 6.175 -9.537 1.00 12.00 C ATOM 0 H ILE A 76 -34.259 7.547 -5.162 1.00 12.00 H new ATOM 0 HA ILE A 76 -35.538 5.623 -5.309 1.00 12.00 H new ATOM 0 HB ILE A 76 -34.037 4.772 -7.771 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -36.196 6.936 -7.622 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -34.505 7.240 -7.967 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -36.341 4.013 -8.382 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -35.840 3.331 -6.816 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -36.964 4.710 -6.868 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -35.814 7.086 -10.069 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -34.634 5.758 -9.972 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -36.351 5.450 -9.622 1.00 12.00 H new ATOM 1192 N THR A 77 -33.648 3.233 -5.739 1.00 12.00 N ATOM 1193 CA THR A 77 -32.816 2.144 -5.101 1.00 12.00 C ATOM 1194 C THR A 77 -33.292 1.938 -3.639 1.00 12.00 C ATOM 1195 O THR A 77 -34.208 2.624 -3.209 1.00 12.00 O ATOM 1196 CB THR A 77 -31.316 2.545 -5.119 1.00 12.00 C ATOM 1197 OG1 THR A 77 -31.138 3.823 -5.724 1.00 12.00 O ATOM 1198 CG2 THR A 77 -30.507 1.507 -5.906 1.00 12.00 C ATOM 0 H THR A 77 -34.115 2.967 -6.606 1.00 12.00 H new ATOM 0 HA THR A 77 -32.935 1.216 -5.659 1.00 12.00 H new ATOM 0 HB THR A 77 -30.967 2.588 -4.087 1.00 12.00 H new ATOM 0 HG1 THR A 77 -30.207 3.921 -6.013 1.00 12.00 H new ATOM 0 HG21 THR A 77 -29.456 1.795 -5.914 1.00 12.00 H new ATOM 0 HG22 THR A 77 -30.612 0.530 -5.434 1.00 12.00 H new ATOM 0 HG23 THR A 77 -30.878 1.457 -6.930 1.00 12.00 H new ATOM 1206 N PRO A 78 -32.673 1.019 -2.897 1.00 12.00 N ATOM 1207 CA PRO A 78 -33.067 0.780 -1.496 1.00 12.00 C ATOM 1208 C PRO A 78 -32.551 1.926 -0.622 1.00 12.00 C ATOM 1209 O PRO A 78 -31.364 2.043 -0.363 1.00 12.00 O ATOM 1210 CB PRO A 78 -32.423 -0.563 -1.147 1.00 12.00 C ATOM 1211 CG PRO A 78 -31.267 -0.771 -2.149 1.00 12.00 C ATOM 1212 CD PRO A 78 -31.552 0.150 -3.353 1.00 12.00 C ATOM 0 HA PRO A 78 -34.145 0.746 -1.337 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -32.052 -0.560 -0.122 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -33.150 -1.372 -1.220 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -30.309 -0.524 -1.691 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -31.211 -1.813 -2.464 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -30.675 0.740 -3.619 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -31.829 -0.425 -4.237 1.00 12.00 H new ATOM 1220 N ARG A 79 -33.456 2.780 -0.194 1.00 12.00 N ATOM 1221 CA ARG A 79 -33.086 3.960 0.647 1.00 12.00 C ATOM 1222 C ARG A 79 -33.293 3.611 2.136 1.00 12.00 C ATOM 1223 O ARG A 79 -33.980 2.650 2.435 1.00 12.00 O ATOM 1224 CB ARG A 79 -33.984 5.141 0.241 1.00 12.00 C ATOM 1225 CG ARG A 79 -35.462 4.772 0.437 1.00 12.00 C ATOM 1226 CD ARG A 79 -36.154 5.834 1.295 1.00 12.00 C ATOM 1227 NE ARG A 79 -35.853 5.588 2.734 1.00 12.00 N ATOM 1228 CZ ARG A 79 -36.821 5.576 3.608 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -37.647 6.583 3.680 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -36.969 4.553 4.406 1.00 12.00 N ATOM 0 H ARG A 79 -34.452 2.704 -0.398 1.00 12.00 H new ATOM 0 HA ARG A 79 -32.040 4.228 0.497 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -33.738 6.018 0.840 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -33.802 5.405 -0.801 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -35.958 4.694 -0.531 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -35.542 3.796 0.916 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -35.813 6.828 1.006 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -37.231 5.806 1.128 1.00 12.00 H new ATOM 0 HE ARG A 79 -34.891 5.429 3.035 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -37.536 7.380 3.053 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -38.404 6.574 4.363 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -36.327 3.762 4.346 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -37.726 4.545 5.089 1.00 12.00 H new ATOM 1244 N PRO A 80 -32.679 4.377 3.037 1.00 12.00 N ATOM 1245 CA PRO A 80 -31.835 5.558 2.713 1.00 12.00 C ATOM 1246 C PRO A 80 -30.471 5.133 2.163 1.00 12.00 C ATOM 1247 O PRO A 80 -30.130 3.962 2.159 1.00 12.00 O ATOM 1248 CB PRO A 80 -31.679 6.274 4.059 1.00 12.00 C ATOM 1249 CG PRO A 80 -31.939 5.216 5.151 1.00 12.00 C ATOM 1250 CD PRO A 80 -32.771 4.101 4.493 1.00 12.00 C ATOM 0 HA PRO A 80 -32.279 6.189 1.943 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -30.680 6.698 4.159 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -32.385 7.100 4.143 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -31.000 4.821 5.539 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -32.474 5.653 5.994 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -32.375 3.115 4.736 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -33.805 4.123 4.836 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.698 6.097 1.709 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.335 5.818 1.154 1.00 12.00 C ATOM 1260 C CYS A 81 -28.426 4.897 -0.097 1.00 12.00 C ATOM 1261 O CYS A 81 -27.905 3.791 -0.087 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.475 5.170 2.244 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.176 6.366 3.568 1.00 12.00 S ATOM 0 H CYS A 81 -29.962 7.082 1.701 1.00 12.00 H new ATOM 0 HA CYS A 81 -27.875 6.755 0.840 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -27.977 4.289 2.642 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.528 4.834 1.823 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.065 5.385 -1.160 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.194 4.625 -2.424 1.00 12.00 C ATOM 1270 C PRO A 82 -27.890 4.752 -3.218 1.00 12.00 C ATOM 1271 O PRO A 82 -27.316 5.825 -3.275 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.351 5.315 -3.146 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.448 6.743 -2.559 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.716 6.718 -1.203 1.00 12.00 C ATOM 0 HA PRO A 82 -29.378 3.560 -2.285 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.172 5.349 -4.221 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.283 4.770 -2.995 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.991 7.469 -3.231 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.489 7.038 -2.431 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.982 7.521 -1.133 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.411 6.848 -0.374 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.406 3.668 -3.804 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.106 3.737 -4.568 1.00 12.00 C ATOM 1284 C TYR A 83 -26.185 3.028 -5.920 1.00 12.00 C ATOM 1285 O TYR A 83 -26.683 1.921 -6.031 1.00 12.00 O ATOM 1286 CB TYR A 83 -24.979 3.096 -3.739 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.457 4.111 -2.757 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.244 4.515 -1.674 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.194 4.672 -2.947 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.760 5.478 -0.782 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.711 5.636 -2.063 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.494 6.041 -0.975 1.00 12.00 C ATOM 1293 OH TYR A 83 -23.020 6.994 -0.095 1.00 12.00 O ATOM 0 H TYR A 83 -27.850 2.750 -3.786 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.900 4.792 -4.751 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.352 2.218 -3.211 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.176 2.757 -4.393 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.223 4.084 -1.526 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.587 4.358 -3.783 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.365 5.787 0.057 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.734 6.070 -2.217 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.064 7.878 -0.515 1.00 12.00 H new ATOM 1303 N SER A 84 -25.646 3.670 -6.937 1.00 12.00 N ATOM 1304 CA SER A 84 -25.610 3.073 -8.319 1.00 12.00 C ATOM 1305 C SER A 84 -24.155 2.695 -8.620 1.00 12.00 C ATOM 1306 O SER A 84 -23.257 3.497 -8.419 1.00 12.00 O ATOM 1307 CB SER A 84 -26.099 4.104 -9.339 1.00 12.00 C ATOM 1308 OG SER A 84 -25.562 5.380 -9.014 1.00 12.00 O ATOM 0 H SER A 84 -25.223 4.596 -6.867 1.00 12.00 H new ATOM 0 HA SER A 84 -26.255 2.196 -8.378 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.791 3.813 -10.343 1.00 12.00 H new ATOM 0 HB3 SER A 84 -27.188 4.144 -9.338 1.00 12.00 H new ATOM 0 HG SER A 84 -24.598 5.299 -8.858 1.00 12.00 H new ATOM 1314 N SER A 85 -23.916 1.477 -9.065 1.00 12.00 N ATOM 1315 CA SER A 85 -22.511 1.024 -9.345 1.00 12.00 C ATOM 1316 C SER A 85 -22.163 1.181 -10.830 1.00 12.00 C ATOM 1317 O SER A 85 -23.002 0.996 -11.696 1.00 12.00 O ATOM 1318 CB SER A 85 -22.376 -0.450 -8.955 1.00 12.00 C ATOM 1319 OG SER A 85 -22.988 -0.661 -7.689 1.00 12.00 O ATOM 0 H SER A 85 -24.636 0.778 -9.246 1.00 12.00 H new ATOM 0 HA SER A 85 -21.827 1.641 -8.763 1.00 12.00 H new ATOM 0 HB2 SER A 85 -22.846 -1.082 -9.709 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.324 -0.732 -8.914 1.00 12.00 H new ATOM 0 HG SER A 85 -22.413 -0.298 -6.983 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.915 1.508 -11.113 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.448 1.672 -12.531 1.00 12.00 C ATOM 1327 C ARG A 86 -18.920 1.541 -12.579 1.00 12.00 C ATOM 1328 O ARG A 86 -18.226 2.054 -11.716 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.850 3.051 -13.056 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.517 3.145 -14.549 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.558 4.012 -15.264 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.542 3.136 -15.960 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.623 2.749 -15.340 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -24.469 3.635 -14.890 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -23.858 1.477 -15.170 1.00 12.00 N ATOM 0 H ARG A 86 -20.194 1.669 -10.410 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.907 0.902 -13.151 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.916 3.215 -12.899 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.323 3.830 -12.505 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.523 3.572 -14.682 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.498 2.148 -14.989 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.070 4.652 -14.545 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.068 4.669 -15.983 1.00 12.00 H new ATOM 0 HE ARG A 86 -22.371 2.839 -16.921 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -24.285 4.629 -15.023 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -25.314 3.333 -14.405 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -23.197 0.785 -15.522 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -24.703 1.175 -14.685 1.00 12.00 H new ATOM 1349 N THR A 87 -18.398 0.859 -13.583 1.00 12.00 N ATOM 1350 CA THR A 87 -16.908 0.681 -13.709 1.00 12.00 C ATOM 1351 C THR A 87 -16.354 1.696 -14.714 1.00 12.00 C ATOM 1352 O THR A 87 -17.048 2.099 -15.635 1.00 12.00 O ATOM 1353 CB THR A 87 -16.597 -0.736 -14.203 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.470 -1.663 -13.575 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.147 -1.090 -13.864 1.00 12.00 C ATOM 0 H THR A 87 -18.944 0.417 -14.322 1.00 12.00 H new ATOM 0 HA THR A 87 -16.445 0.838 -12.735 1.00 12.00 H new ATOM 0 HB THR A 87 -16.739 -0.780 -15.283 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.270 -2.568 -13.894 1.00 12.00 H new ATOM 0 HG21 THR A 87 -14.927 -2.098 -14.216 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.476 -0.381 -14.350 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.004 -1.043 -12.784 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.112 2.105 -14.540 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.491 3.102 -15.479 1.00 12.00 C ATOM 1365 C GLU A 88 -12.958 3.077 -15.349 1.00 12.00 C ATOM 1366 O GLU A 88 -12.387 2.135 -14.828 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.015 4.504 -15.140 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.290 5.282 -16.429 1.00 12.00 C ATOM 1369 CD GLU A 88 -14.922 6.753 -16.225 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.726 7.472 -15.656 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -13.839 7.135 -16.638 1.00 12.00 O ATOM 0 H GLU A 88 -14.502 1.789 -13.786 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.758 2.844 -16.504 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.928 4.428 -14.549 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.285 5.038 -14.531 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.710 4.862 -17.251 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.341 5.194 -16.703 1.00 12.00 H new ATOM 1378 N THR A 89 -12.304 4.119 -15.830 1.00 12.00 N ATOM 1379 CA THR A 89 -10.807 4.214 -15.762 1.00 12.00 C ATOM 1380 C THR A 89 -10.398 4.650 -14.350 1.00 12.00 C ATOM 1381 O THR A 89 -10.904 5.637 -13.844 1.00 12.00 O ATOM 1382 CB THR A 89 -10.339 5.267 -16.786 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.753 4.869 -18.083 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.813 5.394 -16.762 1.00 12.00 C ATOM 0 H THR A 89 -12.756 4.919 -16.273 1.00 12.00 H new ATOM 0 HA THR A 89 -10.352 3.250 -15.987 1.00 12.00 H new ATOM 0 HB THR A 89 -10.778 6.231 -16.529 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.460 5.536 -18.739 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.499 6.141 -17.491 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.489 5.698 -15.767 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.364 4.433 -17.012 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.496 3.921 -13.710 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.080 4.303 -12.307 1.00 12.00 C ATOM 1394 C ASN A 90 -7.813 5.165 -12.299 1.00 12.00 C ATOM 1395 O ASN A 90 -6.702 4.690 -12.112 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.863 3.062 -11.432 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.639 3.495 -9.978 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -7.579 3.976 -9.634 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -9.599 3.349 -9.105 1.00 12.00 N ATOM 0 H ASN A 90 -9.038 3.093 -14.091 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.898 4.892 -11.892 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.728 2.402 -11.497 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.003 2.497 -11.791 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -9.457 3.639 -8.137 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -10.491 2.945 -9.391 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.011 6.451 -12.416 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.877 7.423 -12.326 1.00 12.00 C ATOM 1408 C TYR A 91 -6.995 8.028 -10.930 1.00 12.00 C ATOM 1409 O TYR A 91 -7.882 8.830 -10.681 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.980 8.520 -13.402 1.00 12.00 C ATOM 1411 CG TYR A 91 -8.413 8.974 -13.579 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -9.264 8.273 -14.440 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.882 10.102 -12.894 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.586 8.697 -14.615 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -10.205 10.527 -13.072 1.00 12.00 C ATOM 1416 CZ TYR A 91 -11.056 9.824 -13.932 1.00 12.00 C ATOM 1417 OH TYR A 91 -12.359 10.241 -14.105 1.00 12.00 O ATOM 0 H TYR A 91 -8.924 6.878 -12.573 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.917 6.934 -12.492 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -6.358 9.370 -13.121 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.595 8.142 -14.349 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.901 7.405 -14.970 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -8.225 10.643 -12.230 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -11.244 8.154 -15.278 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.568 11.397 -12.545 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.523 11.037 -13.558 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.174 7.580 -9.995 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.320 8.058 -8.580 1.00 12.00 C ATOM 1429 C ILE A 92 -5.068 8.772 -8.053 1.00 12.00 C ATOM 1430 O ILE A 92 -3.983 8.628 -8.583 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.637 6.827 -7.706 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.939 7.264 -6.272 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -5.456 5.846 -7.704 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -7.707 6.156 -5.547 1.00 12.00 C ATOM 0 H ILE A 92 -5.419 6.912 -10.153 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.122 8.796 -8.543 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.511 6.327 -8.125 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.010 7.481 -5.744 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -7.525 8.183 -6.277 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -5.700 4.985 -7.082 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.258 5.513 -8.723 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -4.571 6.343 -7.306 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -7.921 6.470 -4.525 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -8.643 5.960 -6.070 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -7.105 5.248 -5.529 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.243 9.516 -6.980 1.00 12.00 N ATOM 1447 CA CYS A 93 -4.105 10.239 -6.322 1.00 12.00 C ATOM 1448 C CYS A 93 -3.853 9.552 -4.979 1.00 12.00 C ATOM 1449 O CYS A 93 -4.643 9.668 -4.053 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.468 11.719 -6.111 1.00 12.00 C ATOM 1451 SG CYS A 93 -3.218 12.531 -5.080 1.00 12.00 S ATOM 0 H CYS A 93 -6.146 9.653 -6.526 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.210 10.206 -6.944 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.539 12.224 -7.074 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.447 11.797 -5.637 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.769 8.813 -4.890 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.440 8.068 -3.640 1.00 12.00 C ATOM 1458 C VAL A 94 -1.009 8.396 -3.214 1.00 12.00 C ATOM 1459 O VAL A 94 -0.374 9.257 -3.804 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.593 6.567 -3.920 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -4.001 6.314 -4.462 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -1.565 6.117 -4.969 1.00 12.00 C ATOM 0 H VAL A 94 -2.092 8.696 -5.644 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.112 8.356 -2.831 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.430 6.007 -2.999 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -4.127 5.251 -4.667 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -4.738 6.631 -3.724 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -4.144 6.880 -5.383 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.683 5.050 -5.160 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.723 6.671 -5.894 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -0.558 6.310 -4.598 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.502 7.714 -2.209 1.00 12.00 N ATOM 1473 CA LYS A 95 0.891 7.988 -1.750 1.00 12.00 C ATOM 1474 C LYS A 95 1.588 6.693 -1.329 1.00 12.00 C ATOM 1475 O LYS A 95 0.945 5.682 -1.112 1.00 12.00 O ATOM 1476 CB LYS A 95 0.866 8.977 -0.582 1.00 12.00 C ATOM 1477 CG LYS A 95 0.737 10.416 -1.110 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.415 11.126 -0.394 1.00 12.00 C ATOM 1479 CE LYS A 95 0.056 11.601 0.980 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.853 12.851 0.827 1.00 12.00 N ATOM 0 H LYS A 95 -0.994 6.985 -1.693 1.00 12.00 H new ATOM 0 HA LYS A 95 1.451 8.423 -2.578 1.00 12.00 H new ATOM 0 HB2 LYS A 95 0.031 8.748 0.080 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.777 8.878 0.008 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.668 10.958 -0.948 1.00 12.00 H new ATOM 0 HG3 LYS A 95 0.558 10.405 -2.185 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.758 11.974 -0.986 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -1.263 10.449 -0.286 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -0.802 11.781 1.628 1.00 12.00 H new ATOM 0 HE3 LYS A 95 0.659 10.828 1.457 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 1.658 12.832 1.485 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 1.205 12.921 -0.149 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 0.253 13.674 1.038 1.00 12.00 H new ATOM 1494 N CYS A 96 2.907 6.725 -1.234 1.00 12.00 N ATOM 1495 CA CYS A 96 3.691 5.500 -0.859 1.00 12.00 C ATOM 1496 C CYS A 96 4.421 5.676 0.479 1.00 12.00 C ATOM 1497 O CYS A 96 5.144 6.627 0.688 1.00 12.00 O ATOM 1498 CB CYS A 96 4.728 5.214 -1.950 1.00 12.00 C ATOM 1499 SG CYS A 96 3.969 5.376 -3.587 1.00 12.00 S ATOM 0 H CYS A 96 3.473 7.556 -1.403 1.00 12.00 H new ATOM 0 HA CYS A 96 2.989 4.672 -0.759 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.565 5.907 -1.858 1.00 12.00 H new ATOM 0 HB3 CYS A 96 5.131 4.209 -1.825 1.00 12.00 H new ATOM 1504 N GLU A 97 4.258 4.711 1.348 1.00 12.00 N ATOM 1505 CA GLU A 97 4.946 4.689 2.679 1.00 12.00 C ATOM 1506 C GLU A 97 5.389 3.242 2.868 1.00 12.00 C ATOM 1507 O GLU A 97 4.644 2.331 2.536 1.00 12.00 O ATOM 1508 CB GLU A 97 3.988 5.096 3.806 1.00 12.00 C ATOM 1509 CG GLU A 97 4.694 4.976 5.159 1.00 12.00 C ATOM 1510 CD GLU A 97 3.696 5.261 6.281 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.784 4.469 6.452 1.00 12.00 O ATOM 1512 OE2 GLU A 97 3.860 6.268 6.951 1.00 12.00 O ATOM 0 H GLU A 97 3.653 3.906 1.184 1.00 12.00 H new ATOM 0 HA GLU A 97 5.779 5.391 2.710 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.647 6.120 3.653 1.00 12.00 H new ATOM 0 HB3 GLU A 97 3.103 4.460 3.790 1.00 12.00 H new ATOM 0 HG2 GLU A 97 5.113 3.976 5.275 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.526 5.678 5.211 1.00 12.00 H new ATOM 1519 N ASN A 98 6.595 3.004 3.343 1.00 12.00 N ATOM 1520 CA ASN A 98 7.081 1.583 3.482 1.00 12.00 C ATOM 1521 C ASN A 98 6.978 0.881 2.102 1.00 12.00 C ATOM 1522 O ASN A 98 6.930 -0.330 2.022 1.00 12.00 O ATOM 1523 CB ASN A 98 6.199 0.850 4.495 1.00 12.00 C ATOM 1524 CG ASN A 98 6.830 0.944 5.883 1.00 12.00 C ATOM 1525 OD1 ASN A 98 7.990 0.624 6.059 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.112 1.371 6.886 1.00 12.00 N ATOM 0 H ASN A 98 7.258 3.721 3.638 1.00 12.00 H new ATOM 0 HA ASN A 98 8.116 1.572 3.825 1.00 12.00 H new ATOM 0 HB2 ASN A 98 5.201 1.287 4.507 1.00 12.00 H new ATOM 0 HB3 ASN A 98 6.086 -0.195 4.206 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.524 1.436 7.817 1.00 12.00 H new ATOM 0 HD22 ASN A 98 5.139 1.640 6.739 1.00 12.00 H new ATOM 1533 N GLN A 99 6.929 1.666 1.028 1.00 12.00 N ATOM 1534 CA GLN A 99 6.823 1.143 -0.380 1.00 12.00 C ATOM 1535 C GLN A 99 5.397 0.677 -0.734 1.00 12.00 C ATOM 1536 O GLN A 99 5.078 0.575 -1.909 1.00 12.00 O ATOM 1537 CB GLN A 99 7.831 0.012 -0.647 1.00 12.00 C ATOM 1538 CG GLN A 99 9.252 0.589 -0.750 1.00 12.00 C ATOM 1539 CD GLN A 99 9.992 -0.075 -1.915 1.00 12.00 C ATOM 1540 OE1 GLN A 99 10.100 0.492 -2.983 1.00 12.00 O ATOM 1541 NE2 GLN A 99 10.512 -1.262 -1.749 1.00 12.00 N ATOM 0 H GLN A 99 6.960 2.684 1.083 1.00 12.00 H new ATOM 0 HA GLN A 99 7.066 1.985 -1.029 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.786 -0.724 0.156 1.00 12.00 H new ATOM 0 HB3 GLN A 99 7.572 -0.507 -1.570 1.00 12.00 H new ATOM 0 HG2 GLN A 99 9.208 1.668 -0.901 1.00 12.00 H new ATOM 0 HG3 GLN A 99 9.793 0.420 0.181 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.421 -1.738 -0.851 1.00 12.00 H new ATOM 0 HE22 GLN A 99 11.009 -1.713 -2.517 1.00 12.00 H new ATOM 1550 N TYR A 100 4.527 0.444 0.235 1.00 12.00 N ATOM 1551 CA TYR A 100 3.116 0.049 -0.099 1.00 12.00 C ATOM 1552 C TYR A 100 2.280 1.333 0.011 1.00 12.00 C ATOM 1553 O TYR A 100 2.560 2.144 0.870 1.00 12.00 O ATOM 1554 CB TYR A 100 2.630 -1.111 0.838 1.00 12.00 C ATOM 1555 CG TYR A 100 1.539 -0.718 1.850 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.259 -0.303 1.425 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.811 -0.796 3.225 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.725 0.032 2.369 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.824 -0.464 4.161 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.442 -0.048 3.733 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.410 0.281 4.659 1.00 12.00 O ATOM 0 H TYR A 100 4.734 0.511 1.231 1.00 12.00 H new ATOM 0 HA TYR A 100 3.020 -0.357 -1.106 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.253 -1.924 0.218 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.489 -1.499 1.385 1.00 12.00 H new ATOM 0 HD1 TYR A 100 0.035 -0.243 0.370 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.786 -1.114 3.563 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.702 0.352 2.039 1.00 12.00 H new ATOM 0 HE2 TYR A 100 1.040 -0.529 5.217 1.00 12.00 H new ATOM 0 HH TYR A 100 -1.996 0.973 4.288 1.00 12.00 H new ATOM 1571 N PRO A 101 1.289 1.503 -0.852 1.00 12.00 N ATOM 1572 CA PRO A 101 0.456 2.719 -0.831 1.00 12.00 C ATOM 1573 C PRO A 101 -0.278 2.791 0.499 1.00 12.00 C ATOM 1574 O PRO A 101 -1.192 2.044 0.729 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.477 2.553 -2.039 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.476 1.046 -2.374 1.00 12.00 C ATOM 1577 CD PRO A 101 0.874 0.508 -1.872 1.00 12.00 C ATOM 0 HA PRO A 101 1.011 3.654 -0.909 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.483 2.900 -1.805 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.126 3.141 -2.887 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.306 0.536 -1.886 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.588 0.883 -3.446 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.774 -0.489 -1.442 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.602 0.435 -2.680 1.00 12.00 H new ATOM 1585 N VAL A 102 0.169 3.655 1.395 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.466 3.731 2.762 1.00 12.00 C ATOM 1587 C VAL A 102 -1.136 5.082 3.014 1.00 12.00 C ATOM 1588 O VAL A 102 -1.514 5.372 4.142 1.00 12.00 O ATOM 1589 CB VAL A 102 0.598 3.508 3.849 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.092 3.170 5.179 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.538 2.361 3.453 1.00 12.00 C ATOM 0 H VAL A 102 0.940 4.305 1.240 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.229 2.953 2.800 1.00 12.00 H new ATOM 0 HB VAL A 102 1.185 4.420 3.959 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.662 3.012 5.950 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.742 3.994 5.471 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.686 2.264 5.061 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.285 2.217 4.234 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.961 1.444 3.329 1.00 12.00 H new ATOM 0 HG23 VAL A 102 2.036 2.606 2.515 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.312 5.900 1.998 1.00 12.00 N ATOM 1602 CA HIS A 103 -1.986 7.217 2.213 1.00 12.00 C ATOM 1603 C HIS A 103 -2.881 7.513 1.013 1.00 12.00 C ATOM 1604 O HIS A 103 -2.457 7.366 -0.119 1.00 12.00 O ATOM 1605 CB HIS A 103 -0.988 8.396 2.415 1.00 12.00 C ATOM 1606 CG HIS A 103 0.478 7.989 2.386 1.00 12.00 C ATOM 1607 ND1 HIS A 103 1.425 8.670 3.142 1.00 12.00 N ATOM 1608 CD2 HIS A 103 1.191 7.055 1.664 1.00 12.00 C ATOM 1609 CE1 HIS A 103 2.629 8.150 2.852 1.00 12.00 C ATOM 1610 NE2 HIS A 103 2.540 7.168 1.959 1.00 12.00 N ATOM 0 H HIS A 103 -1.020 5.711 1.039 1.00 12.00 H new ATOM 0 HA HIS A 103 -2.566 7.137 3.132 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.162 9.140 1.638 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -1.200 8.877 3.370 1.00 12.00 H new ATOM 0 HD1 HIS A 103 1.239 9.428 3.799 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.763 6.344 0.973 1.00 12.00 H new ATOM 0 HE1 HIS A 103 3.556 8.488 3.290 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.105 7.940 1.257 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.039 8.262 0.123 1.00 12.00 C ATOM 1620 C PHE A 104 -5.415 9.743 0.190 1.00 12.00 C ATOM 1621 O PHE A 104 -5.784 10.240 1.241 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.302 7.375 0.197 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.224 6.263 -0.837 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -4.987 5.701 -1.197 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -7.396 5.797 -1.440 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -4.921 4.691 -2.146 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -7.333 4.779 -2.395 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.098 4.226 -2.747 1.00 12.00 C ATOM 0 H PHE A 104 -4.495 8.079 2.189 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.543 8.060 -0.826 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.397 6.947 1.195 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.191 7.981 0.024 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -4.081 6.058 -0.731 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -8.350 6.224 -1.168 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -3.967 4.265 -2.420 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -8.238 4.419 -2.861 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.051 3.438 -3.484 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.283 10.457 -0.915 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.588 11.928 -0.912 1.00 12.00 C ATOM 1640 C ALA A 105 -6.779 12.285 -1.811 1.00 12.00 C ATOM 1641 O ALA A 105 -7.431 13.290 -1.574 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.355 12.695 -1.392 1.00 12.00 C ATOM 0 H ALA A 105 -4.978 10.082 -1.813 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.852 12.205 0.109 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -4.569 13.764 -1.393 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.518 12.493 -0.724 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.098 12.376 -2.402 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.066 11.502 -2.834 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.218 11.843 -3.735 1.00 12.00 C ATOM 1650 C GLY A 106 -8.418 10.771 -4.805 1.00 12.00 C ATOM 1651 O GLY A 106 -7.767 9.740 -4.793 1.00 12.00 O ATOM 0 H GLY A 106 -6.558 10.653 -3.079 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.128 11.945 -3.144 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.038 12.807 -4.211 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.336 11.021 -5.718 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.647 10.048 -6.811 1.00 12.00 C ATOM 1657 C ILE A 107 -8.901 10.436 -8.104 1.00 12.00 C ATOM 1658 O ILE A 107 -9.367 10.178 -9.202 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.173 10.046 -7.032 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -11.561 9.033 -8.116 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.642 11.443 -7.451 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -13.018 8.610 -7.916 1.00 12.00 C ATOM 0 H ILE A 107 -9.890 11.877 -5.747 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.316 9.048 -6.532 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.655 9.763 -6.096 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -11.431 9.473 -9.105 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -10.908 8.162 -8.066 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.721 11.434 -7.605 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.394 12.160 -6.669 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.146 11.731 -8.378 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -13.297 7.890 -8.685 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -13.133 8.153 -6.933 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -13.664 9.485 -7.987 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.733 11.037 -7.976 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.938 11.426 -9.189 1.00 12.00 C ATOM 1676 C GLY A 108 -6.439 12.865 -9.059 1.00 12.00 C ATOM 1677 O GLY A 108 -5.249 13.102 -8.943 1.00 12.00 O ATOM 0 H GLY A 108 -7.299 11.273 -7.084 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.091 10.750 -9.309 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -7.554 11.327 -10.083 1.00 12.00 H new ATOM 1681 N ARG A 109 -7.341 13.824 -9.087 1.00 12.00 N ATOM 1682 CA ARG A 109 -6.932 15.261 -8.968 1.00 12.00 C ATOM 1683 C ARG A 109 -6.331 15.494 -7.580 1.00 12.00 C ATOM 1684 O ARG A 109 -6.865 15.035 -6.585 1.00 12.00 O ATOM 1685 CB ARG A 109 -8.149 16.174 -9.163 1.00 12.00 C ATOM 1686 CG ARG A 109 -9.254 15.791 -8.174 1.00 12.00 C ATOM 1687 CD ARG A 109 -10.413 16.785 -8.277 1.00 12.00 C ATOM 1688 NE ARG A 109 -11.130 16.834 -6.972 1.00 12.00 N ATOM 1689 CZ ARG A 109 -12.428 16.712 -6.934 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -13.186 17.765 -7.076 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -12.968 15.540 -6.748 1.00 12.00 N ATOM 0 H ARG A 109 -8.344 13.670 -9.187 1.00 12.00 H new ATOM 0 HA ARG A 109 -6.194 15.493 -9.736 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -7.861 17.215 -9.014 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -8.518 16.088 -10.185 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -9.609 14.782 -8.385 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -8.859 15.784 -7.158 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -10.038 17.775 -8.537 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -11.097 16.484 -9.071 1.00 12.00 H new ATOM 0 HE ARG A 109 -10.605 16.963 -6.107 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -12.763 18.683 -7.217 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -14.201 17.670 -7.046 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -12.375 14.718 -6.632 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -13.983 15.445 -6.718 1.00 12.00 H new ATOM 1705 N CYS A 110 -5.224 16.203 -7.518 1.00 12.00 N ATOM 1706 CA CYS A 110 -4.560 16.485 -6.206 1.00 12.00 C ATOM 1707 C CYS A 110 -3.917 17.900 -6.246 1.00 12.00 C ATOM 1708 O CYS A 110 -2.711 18.038 -6.093 1.00 12.00 O ATOM 1709 CB CYS A 110 -3.501 15.406 -5.956 1.00 12.00 C ATOM 1710 SG CYS A 110 -4.048 14.315 -4.620 1.00 12.00 S ATOM 0 H CYS A 110 -4.751 16.600 -8.329 1.00 12.00 H new ATOM 0 HA CYS A 110 -5.287 16.466 -5.394 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -3.334 14.828 -6.865 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -2.550 15.870 -5.694 1.00 12.00 H new ATOM 1715 N PRO A 111 -4.740 18.926 -6.453 1.00 12.00 N ATOM 1716 CA PRO A 111 -4.259 20.323 -6.517 1.00 12.00 C ATOM 1717 C PRO A 111 -4.028 20.870 -5.104 1.00 12.00 C ATOM 1718 O PRO A 111 -4.975 20.888 -4.335 1.00 12.00 O ATOM 1719 CB PRO A 111 -5.402 21.071 -7.203 1.00 12.00 C ATOM 1720 CG PRO A 111 -6.676 20.227 -6.974 1.00 12.00 C ATOM 1721 CD PRO A 111 -6.208 18.799 -6.646 1.00 12.00 C ATOM 1722 OXT PRO A 111 -2.910 21.266 -4.820 1.00 12.00 O ATOM 0 HA PRO A 111 -3.312 20.424 -7.047 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -5.518 22.071 -6.784 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -5.203 21.192 -8.268 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -7.270 20.637 -6.157 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -7.308 20.233 -7.862 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -6.695 18.418 -5.749 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -6.444 18.108 -7.455 1.00 12.00 H new TER 1730 PRO A 111