USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 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 Set 1.1: A 13 TYR OH : rot -69:sc= 1.09 USER MOD Set 1.2: A 16 ASN : amide:sc= 1.6 K(o=4.1,f=-2!) USER MOD Set 1.3: A 92 GLN : amide:sc= 1.46 K(o=4.1,f=-0.75!) USER MOD Set 2.1: A 57 SER OG : rot -35:sc= 1.23 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -172:sc= 1.56 (180deg=1.05) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.71 K(o=1.5,f=0.43) USER MOD Set 3.2: A 34 GLN : amide:sc= 0.81 K(o=1.5,f=0.43) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -115:sc= 2.36 (180deg=-0.875) USER MOD Set 4.2: A 25 GLN : amide:sc= 1.42 K(o=3.8,f=-8.5!) USER MOD Set 5.1: A 8 TYR OH : rot 4:sc= 1.72 USER MOD Set 5.2: A 10 GLN : amide:sc= 1.38 K(o=7.1,f=0.15) USER MOD Set 5.3: A 14 GLN : amide:sc= -0.0858 K(o=7.1,f=2.5) USER MOD Set 5.4: A 21 ASN : amide:sc= 1.46 K(o=7.1,f=1) USER MOD Set 5.5: A 95 GLN : amide:sc= 0.665 K(o=7.1,f=2.5!) USER MOD Set 5.6: A 98 LYS NZ :NH3+ 170:sc= 1.92 (180deg=0.697) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 2.4 (180deg=0.338) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 1.97 (180deg=0.411) USER MOD Single : A 20 GLN : amide:sc= 1.09 K(o=1.1,f=-0.44) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 2:sc= 1.17 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 3.15 (180deg=3.02) USER MOD Single : A 36 SER OG : rot -137:sc= 0.973 USER MOD Single : A 41 THR OG1 : rot -7:sc= 0.783 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 51 GLN : amide:sc= 0.703 K(o=0.7,f=-7.3!) USER MOD Single : A 55 TYR OH : rot 113:sc= 1 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 9:sc= 1.8 USER MOD Single : A 59 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 33:sc= 0.861 USER MOD Single : A 71 ASN : amide:sc=-0.00342 K(o=-0.0034,f=-0.56) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 1.19 K(o=1.2,f=-4.1!) USER MOD Single : A 80 GLN : amide:sc= 1.25 K(o=1.2,f=-0.024) USER MOD Single : A 88 TYR OH : rot -139:sc= 1.7 USER MOD Single : A 91 SER OG : rot -49:sc= 0.585 USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.05) USER MOD Single : A 103 GLN : amide:sc= 0.0736 X(o=0.074,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.915) USER MOD Single : A 114 LYS NZ :NH3+ 165:sc= 1.82 (180deg=1.57) USER MOD Single : A 115 GLN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.247 6.779 9.002 1.00 0.00 N ATOM 2 CA MET A 1 12.667 6.097 10.263 1.00 0.00 C ATOM 3 C MET A 1 11.724 4.875 10.499 1.00 0.00 C ATOM 4 O MET A 1 10.623 5.034 11.031 1.00 0.00 O ATOM 5 CB MET A 1 12.649 7.072 11.465 1.00 0.00 C ATOM 6 CG MET A 1 13.702 8.188 11.436 1.00 0.00 C ATOM 7 SD MET A 1 13.269 9.476 10.254 1.00 0.00 S ATOM 8 CE MET A 1 14.675 10.578 10.478 1.00 0.00 C ATOM 0 H1 MET A 1 12.321 7.809 9.123 1.00 0.00 H new ATOM 0 H2 MET A 1 12.865 6.477 8.222 1.00 0.00 H new ATOM 0 H3 MET A 1 11.263 6.526 8.782 1.00 0.00 H new ATOM 0 HA MET A 1 13.695 5.749 10.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.662 7.531 11.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.785 6.494 12.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.799 8.624 12.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.673 7.766 11.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.572 11.439 9.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.710 10.917 11.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.596 10.046 10.239 1.00 0.00 H new ATOM 20 N ALA A 2 12.127 3.681 10.036 1.00 0.00 N ATOM 21 CA ALA A 2 11.206 2.520 9.942 1.00 0.00 C ATOM 22 C ALA A 2 11.034 1.747 11.275 1.00 0.00 C ATOM 23 O ALA A 2 11.808 0.842 11.599 1.00 0.00 O ATOM 24 CB ALA A 2 11.721 1.636 8.794 1.00 0.00 C ATOM 0 H ALA A 2 13.078 3.487 9.721 1.00 0.00 H new ATOM 0 HA ALA A 2 10.195 2.869 9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.073 0.766 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.719 2.207 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.736 1.307 9.015 1.00 0.00 H new ATOM 30 N GLY A 3 9.988 2.105 12.034 1.00 0.00 N ATOM 31 CA GLY A 3 9.756 1.546 13.383 1.00 0.00 C ATOM 32 C GLY A 3 10.572 2.184 14.514 1.00 0.00 C ATOM 33 O GLY A 3 11.445 1.527 15.084 1.00 0.00 O ATOM 0 H GLY A 3 9.284 2.782 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.697 1.647 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.977 0.479 13.357 1.00 0.00 H new ATOM 37 N SER A 4 10.245 3.434 14.873 1.00 0.00 N ATOM 38 CA SER A 4 10.887 4.133 16.018 1.00 0.00 C ATOM 39 C SER A 4 10.279 3.664 17.370 1.00 0.00 C ATOM 40 O SER A 4 9.243 4.169 17.812 1.00 0.00 O ATOM 41 CB SER A 4 10.725 5.651 15.776 1.00 0.00 C ATOM 42 OG SER A 4 11.353 6.408 16.808 1.00 0.00 O ATOM 0 H SER A 4 9.539 3.991 14.391 1.00 0.00 H new ATOM 0 HA SER A 4 11.948 3.892 16.083 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.158 5.916 14.812 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.666 5.903 15.730 1.00 0.00 H new ATOM 0 HG SER A 4 11.237 7.364 16.629 1.00 0.00 H new ATOM 48 N GLY A 5 10.897 2.637 17.975 1.00 0.00 N ATOM 49 CA GLY A 5 10.238 1.840 19.037 1.00 0.00 C ATOM 50 C GLY A 5 9.557 0.562 18.517 1.00 0.00 C ATOM 51 O GLY A 5 9.983 -0.545 18.851 1.00 0.00 O ATOM 0 H GLY A 5 11.846 2.336 17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.980 1.566 19.787 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.494 2.461 19.536 1.00 0.00 H new ATOM 55 N ILE A 6 8.513 0.719 17.688 1.00 0.00 N ATOM 56 CA ILE A 6 7.778 -0.424 17.060 1.00 0.00 C ATOM 57 C ILE A 6 8.547 -1.097 15.878 1.00 0.00 C ATOM 58 O ILE A 6 8.204 -0.970 14.695 1.00 0.00 O ATOM 59 CB ILE A 6 6.296 -0.010 16.787 1.00 0.00 C ATOM 60 CG1 ILE A 6 5.361 -1.160 16.333 1.00 0.00 C ATOM 61 CG2 ILE A 6 6.147 1.159 15.792 1.00 0.00 C ATOM 62 CD1 ILE A 6 5.202 -2.305 17.331 1.00 0.00 C ATOM 0 H ILE A 6 8.145 1.633 17.426 1.00 0.00 H new ATOM 0 HA ILE A 6 7.730 -1.251 17.768 1.00 0.00 H new ATOM 0 HB ILE A 6 5.974 0.313 17.777 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.376 -0.744 16.123 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.741 -1.567 15.396 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.090 1.387 15.655 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.660 2.037 16.183 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.585 0.879 14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.529 -3.057 16.918 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.175 -2.756 17.525 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.788 -1.920 18.263 1.00 0.00 H new ATOM 74 N ILE A 7 9.591 -1.866 16.226 1.00 0.00 N ATOM 75 CA ILE A 7 10.485 -2.531 15.230 1.00 0.00 C ATOM 76 C ILE A 7 10.026 -3.978 14.872 1.00 0.00 C ATOM 77 O ILE A 7 10.667 -4.984 15.181 1.00 0.00 O ATOM 78 CB ILE A 7 11.974 -2.328 15.645 1.00 0.00 C ATOM 79 CG1 ILE A 7 12.998 -2.732 14.545 1.00 0.00 C ATOM 80 CG2 ILE A 7 12.390 -3.016 16.964 1.00 0.00 C ATOM 81 CD1 ILE A 7 12.861 -1.975 13.224 1.00 0.00 C ATOM 0 H ILE A 7 9.849 -2.051 17.195 1.00 0.00 H new ATOM 0 HA ILE A 7 10.399 -2.044 14.259 1.00 0.00 H new ATOM 0 HB ILE A 7 12.010 -1.250 15.799 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.005 -2.576 14.933 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.894 -3.799 14.347 1.00 0.00 H new ATOM 0 HG21 ILE A 7 13.442 -2.814 17.163 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.785 -2.628 17.783 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.237 -4.092 16.877 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.618 -2.327 12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.870 -2.149 12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.998 -0.908 13.400 1.00 0.00 H new ATOM 93 N TYR A 8 8.898 -4.038 14.154 1.00 0.00 N ATOM 94 CA TYR A 8 8.310 -5.292 13.617 1.00 0.00 C ATOM 95 C TYR A 8 7.707 -4.966 12.211 1.00 0.00 C ATOM 96 O TYR A 8 6.952 -3.996 12.075 1.00 0.00 O ATOM 97 CB TYR A 8 7.348 -5.933 14.667 1.00 0.00 C ATOM 98 CG TYR A 8 5.850 -5.981 14.342 1.00 0.00 C ATOM 99 CD1 TYR A 8 5.073 -4.815 14.405 1.00 0.00 C ATOM 100 CD2 TYR A 8 5.287 -7.138 13.784 1.00 0.00 C ATOM 101 CE1 TYR A 8 3.796 -4.783 13.845 1.00 0.00 C ATOM 102 CE2 TYR A 8 4.000 -7.111 13.245 1.00 0.00 C ATOM 103 CZ TYR A 8 3.268 -5.925 13.245 1.00 0.00 C ATOM 104 OH TYR A 8 2.093 -5.852 12.559 1.00 0.00 O ATOM 0 H TYR A 8 8.352 -3.209 13.921 1.00 0.00 H new ATOM 0 HA TYR A 8 9.049 -6.076 13.452 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.683 -6.955 14.846 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.468 -5.390 15.604 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.467 -3.935 14.891 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.854 -8.057 13.771 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.216 -3.873 13.876 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.571 -8.010 12.828 1.00 0.00 H new ATOM 0 HH TYR A 8 1.785 -4.922 12.535 1.00 0.00 H new ATOM 114 N LYS A 9 8.026 -5.744 11.172 1.00 0.00 N ATOM 115 CA LYS A 9 7.393 -5.579 9.831 1.00 0.00 C ATOM 116 C LYS A 9 7.166 -6.996 9.206 1.00 0.00 C ATOM 117 O LYS A 9 8.086 -7.816 9.164 1.00 0.00 O ATOM 118 CB LYS A 9 8.230 -4.676 8.882 1.00 0.00 C ATOM 119 CG LYS A 9 8.134 -3.157 9.163 1.00 0.00 C ATOM 120 CD LYS A 9 9.234 -2.613 10.090 1.00 0.00 C ATOM 121 CE LYS A 9 8.901 -1.265 10.760 1.00 0.00 C ATOM 122 NZ LYS A 9 7.912 -1.449 11.863 1.00 0.00 N ATOM 0 H LYS A 9 8.714 -6.495 11.219 1.00 0.00 H new ATOM 0 HA LYS A 9 6.438 -5.071 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.276 -4.976 8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.911 -4.860 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.176 -2.621 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.162 -2.942 9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.433 -3.351 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.153 -2.500 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.812 -0.815 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.500 -0.575 10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.026 -0.963 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.725 -2.463 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.295 -1.049 12.743 1.00 0.00 H new ATOM 136 N GLN A 10 5.938 -7.273 8.740 1.00 0.00 N ATOM 137 CA GLN A 10 5.523 -8.642 8.327 1.00 0.00 C ATOM 138 C GLN A 10 5.956 -8.969 6.848 1.00 0.00 C ATOM 139 O GLN A 10 5.422 -8.312 5.944 1.00 0.00 O ATOM 140 CB GLN A 10 3.976 -8.786 8.455 1.00 0.00 C ATOM 141 CG GLN A 10 3.414 -8.627 9.884 1.00 0.00 C ATOM 142 CD GLN A 10 1.910 -8.875 10.000 1.00 0.00 C ATOM 143 OE1 GLN A 10 1.324 -9.738 9.351 1.00 0.00 O ATOM 144 NE2 GLN A 10 1.221 -8.158 10.852 1.00 0.00 N ATOM 0 H GLN A 10 5.206 -6.571 8.636 1.00 0.00 H new ATOM 0 HA GLN A 10 6.024 -9.349 8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.504 -8.043 7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.686 -9.766 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.936 -9.318 10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.633 -7.619 10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.685 -7.435 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.221 -8.322 10.965 1.00 0.00 H new ATOM 153 N PRO A 11 6.860 -9.937 6.529 1.00 0.00 N ATOM 154 CA PRO A 11 7.418 -10.089 5.134 1.00 0.00 C ATOM 155 C PRO A 11 6.597 -11.001 4.178 1.00 0.00 C ATOM 156 O PRO A 11 7.043 -12.063 3.739 1.00 0.00 O ATOM 157 CB PRO A 11 8.846 -10.614 5.450 1.00 0.00 C ATOM 158 CG PRO A 11 8.645 -11.514 6.692 1.00 0.00 C ATOM 159 CD PRO A 11 7.611 -10.738 7.525 1.00 0.00 C ATOM 0 HA PRO A 11 7.394 -9.164 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.260 -11.176 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.536 -9.796 5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.280 -12.504 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.576 -11.659 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.952 -11.414 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.095 -10.100 8.265 1.00 0.00 H new ATOM 167 N ILE A 12 5.388 -10.539 3.838 1.00 0.00 N ATOM 168 CA ILE A 12 4.421 -11.290 2.987 1.00 0.00 C ATOM 169 C ILE A 12 3.311 -10.309 2.495 1.00 0.00 C ATOM 170 O ILE A 12 2.589 -9.712 3.303 1.00 0.00 O ATOM 171 CB ILE A 12 3.860 -12.578 3.683 1.00 0.00 C ATOM 172 CG1 ILE A 12 3.036 -13.497 2.743 1.00 0.00 C ATOM 173 CG2 ILE A 12 3.038 -12.307 4.961 1.00 0.00 C ATOM 174 CD1 ILE A 12 3.838 -14.143 1.614 1.00 0.00 C ATOM 0 H ILE A 12 5.039 -9.630 4.141 1.00 0.00 H new ATOM 0 HA ILE A 12 4.946 -11.678 2.114 1.00 0.00 H new ATOM 0 HB ILE A 12 4.772 -13.101 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.576 -14.285 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.226 -12.913 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.689 -13.252 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.663 -11.797 5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.181 -11.680 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.179 -14.767 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.276 -13.366 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.632 -14.758 2.037 1.00 0.00 H new ATOM 186 N TYR A 13 3.194 -10.127 1.176 1.00 0.00 N ATOM 187 CA TYR A 13 1.993 -9.507 0.547 1.00 0.00 C ATOM 188 C TYR A 13 1.886 -9.931 -0.953 1.00 0.00 C ATOM 189 O TYR A 13 2.679 -9.502 -1.794 1.00 0.00 O ATOM 190 CB TYR A 13 1.998 -7.964 0.704 1.00 0.00 C ATOM 191 CG TYR A 13 0.703 -7.254 0.260 1.00 0.00 C ATOM 192 CD1 TYR A 13 -0.540 -7.552 0.852 1.00 0.00 C ATOM 193 CD2 TYR A 13 0.754 -6.252 -0.717 1.00 0.00 C ATOM 194 CE1 TYR A 13 -1.695 -6.868 0.467 1.00 0.00 C ATOM 195 CE2 TYR A 13 -0.398 -5.551 -1.078 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.619 -5.860 -0.491 1.00 0.00 C ATOM 197 OH TYR A 13 -2.740 -5.187 -0.872 1.00 0.00 O ATOM 0 H TYR A 13 3.915 -10.398 0.507 1.00 0.00 H new ATOM 0 HA TYR A 13 1.109 -9.874 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.186 -7.722 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.831 -7.559 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.600 -8.317 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.694 -6.019 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.646 -7.120 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.340 -4.765 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.330 -5.790 -1.372 1.00 0.00 H new ATOM 207 N GLN A 14 0.861 -10.727 -1.266 1.00 0.00 N ATOM 208 CA GLN A 14 0.531 -11.161 -2.656 1.00 0.00 C ATOM 209 C GLN A 14 -0.557 -10.363 -3.449 1.00 0.00 C ATOM 210 O GLN A 14 -0.972 -10.798 -4.528 1.00 0.00 O ATOM 211 CB GLN A 14 0.227 -12.681 -2.576 1.00 0.00 C ATOM 212 CG GLN A 14 -1.130 -13.157 -2.012 1.00 0.00 C ATOM 213 CD GLN A 14 -1.457 -12.717 -0.595 1.00 0.00 C ATOM 214 OE1 GLN A 14 -0.731 -12.975 0.361 1.00 0.00 O ATOM 215 NE2 GLN A 14 -2.509 -11.965 -0.409 1.00 0.00 N ATOM 0 H GLN A 14 0.221 -11.101 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 14 1.399 -10.929 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.322 -13.087 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.010 -13.139 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.920 -12.800 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.153 -14.246 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.122 -11.742 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.718 -11.601 0.521 1.00 0.00 H new ATOM 224 N GLY A 15 -0.975 -9.201 -2.935 1.00 0.00 N ATOM 225 CA GLY A 15 -1.887 -8.282 -3.645 1.00 0.00 C ATOM 226 C GLY A 15 -1.253 -7.431 -4.753 1.00 0.00 C ATOM 227 O GLY A 15 -1.539 -7.613 -5.938 1.00 0.00 O ATOM 0 H GLY A 15 -0.693 -8.866 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.695 -8.869 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.339 -7.612 -2.913 1.00 0.00 H new ATOM 231 N ASN A 16 -0.440 -6.459 -4.336 1.00 0.00 N ATOM 232 CA ASN A 16 0.019 -5.350 -5.193 1.00 0.00 C ATOM 233 C ASN A 16 1.426 -4.852 -4.738 1.00 0.00 C ATOM 234 O ASN A 16 2.442 -5.378 -5.195 1.00 0.00 O ATOM 235 CB ASN A 16 -1.107 -4.299 -5.371 1.00 0.00 C ATOM 236 CG ASN A 16 -1.714 -3.634 -4.147 1.00 0.00 C ATOM 237 OD1 ASN A 16 -1.116 -2.738 -3.558 1.00 0.00 O ATOM 238 ND2 ASN A 16 -2.884 -4.023 -3.702 1.00 0.00 N ATOM 0 H ASN A 16 -0.074 -6.414 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 16 0.202 -5.681 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.717 -3.508 -6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.919 -4.780 -5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.287 -3.582 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.391 -4.766 -4.182 1.00 0.00 H new ATOM 245 N LEU A 17 1.475 -3.860 -3.848 1.00 0.00 N ATOM 246 CA LEU A 17 2.711 -3.266 -3.293 1.00 0.00 C ATOM 247 C LEU A 17 2.465 -2.794 -1.806 1.00 0.00 C ATOM 248 O LEU A 17 3.295 -3.086 -0.943 1.00 0.00 O ATOM 249 CB LEU A 17 3.134 -2.118 -4.246 1.00 0.00 C ATOM 250 CG LEU A 17 4.572 -1.574 -4.155 1.00 0.00 C ATOM 251 CD1 LEU A 17 4.911 -1.001 -2.780 1.00 0.00 C ATOM 252 CD2 LEU A 17 5.599 -2.621 -4.592 1.00 0.00 C ATOM 0 H LEU A 17 0.630 -3.427 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 17 3.525 -3.989 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.974 -2.461 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.453 -1.283 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 17 4.623 -0.740 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.938 -0.635 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.233 -0.179 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.805 -1.780 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.602 -2.201 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.522 -3.497 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.406 -2.911 -5.625 1.00 0.00 H new ATOM 264 N ILE A 18 1.359 -2.069 -1.542 1.00 0.00 N ATOM 265 CA ILE A 18 0.948 -1.530 -0.214 1.00 0.00 C ATOM 266 C ILE A 18 1.181 -2.456 1.021 1.00 0.00 C ATOM 267 O ILE A 18 0.948 -3.665 0.977 1.00 0.00 O ATOM 268 CB ILE A 18 -0.602 -1.220 -0.363 1.00 0.00 C ATOM 269 CG1 ILE A 18 -0.977 -0.122 -1.399 1.00 0.00 C ATOM 270 CG2 ILE A 18 -1.338 -0.884 0.950 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.174 1.169 -1.361 1.00 0.00 C ATOM 0 H ILE A 18 0.693 -1.828 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 18 1.575 -0.666 0.006 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.944 -2.186 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.881 -0.551 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.028 0.129 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.389 -0.689 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.257 -1.725 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.889 -0.000 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.538 1.846 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.287 1.639 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.879 0.948 -1.538 1.00 0.00 H new ATOM 283 N LYS A 19 1.526 -1.842 2.160 1.00 0.00 N ATOM 284 CA LYS A 19 1.412 -2.512 3.478 1.00 0.00 C ATOM 285 C LYS A 19 0.813 -1.512 4.506 1.00 0.00 C ATOM 286 O LYS A 19 1.519 -0.616 4.979 1.00 0.00 O ATOM 287 CB LYS A 19 2.791 -3.061 3.925 1.00 0.00 C ATOM 288 CG LYS A 19 3.229 -4.294 3.111 1.00 0.00 C ATOM 289 CD LYS A 19 4.514 -4.949 3.641 1.00 0.00 C ATOM 290 CE LYS A 19 4.647 -6.416 3.197 1.00 0.00 C ATOM 291 NZ LYS A 19 3.769 -7.263 4.053 1.00 0.00 N ATOM 0 H LYS A 19 1.885 -0.888 2.204 1.00 0.00 H new ATOM 0 HA LYS A 19 0.741 -3.368 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.541 -2.277 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.748 -3.324 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.425 -5.030 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.382 -3.999 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.378 -4.385 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.522 -4.899 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.365 -6.519 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.684 -6.743 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.391 -8.051 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.321 -7.640 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.982 -6.689 4.418 1.00 0.00 H new ATOM 305 N GLN A 20 -0.465 -1.691 4.892 1.00 0.00 N ATOM 306 CA GLN A 20 -1.160 -0.794 5.878 1.00 0.00 C ATOM 307 C GLN A 20 -0.753 -1.046 7.380 1.00 0.00 C ATOM 308 O GLN A 20 -1.579 -1.304 8.254 1.00 0.00 O ATOM 309 CB GLN A 20 -2.676 -0.955 5.579 1.00 0.00 C ATOM 310 CG GLN A 20 -3.597 0.099 6.233 1.00 0.00 C ATOM 311 CD GLN A 20 -5.068 0.006 5.810 1.00 0.00 C ATOM 312 OE1 GLN A 20 -5.435 -0.471 4.738 1.00 0.00 O ATOM 313 NE2 GLN A 20 -5.960 0.520 6.622 1.00 0.00 N ATOM 0 H GLN A 20 -1.052 -2.448 4.543 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.852 0.244 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.822 -0.920 4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.991 -1.944 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.536 -0.005 7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.223 1.093 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.668 0.919 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.946 0.521 6.361 1.00 0.00 H new ATOM 322 N ASN A 21 0.561 -0.950 7.621 1.00 0.00 N ATOM 323 CA ASN A 21 1.236 -1.146 8.932 1.00 0.00 C ATOM 324 C ASN A 21 2.775 -0.811 8.799 1.00 0.00 C ATOM 325 O ASN A 21 3.304 -0.069 9.626 1.00 0.00 O ATOM 326 CB ASN A 21 0.981 -2.534 9.559 1.00 0.00 C ATOM 327 CG ASN A 21 1.188 -2.653 11.065 1.00 0.00 C ATOM 328 OD1 ASN A 21 1.912 -3.524 11.537 1.00 0.00 O ATOM 329 ND2 ASN A 21 0.520 -1.876 11.887 1.00 0.00 N ATOM 0 H ASN A 21 1.223 -0.723 6.879 1.00 0.00 H new ATOM 0 HA ASN A 21 0.789 -0.446 9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.044 -2.827 9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.635 -3.255 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.609 -2.003 12.895 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.088 -1.145 11.517 1.00 0.00 H new ATOM 336 N ALA A 22 3.476 -1.293 7.749 1.00 0.00 N ATOM 337 CA ALA A 22 4.793 -0.732 7.348 1.00 0.00 C ATOM 338 C ALA A 22 4.772 0.668 6.646 1.00 0.00 C ATOM 339 O ALA A 22 5.667 1.462 6.935 1.00 0.00 O ATOM 340 CB ALA A 22 5.522 -1.782 6.500 1.00 0.00 C ATOM 0 H ALA A 22 3.157 -2.065 7.164 1.00 0.00 H new ATOM 0 HA ALA A 22 5.329 -0.519 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.493 -1.392 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.664 -2.689 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.928 -2.012 5.616 1.00 0.00 H new ATOM 346 N VAL A 23 3.785 1.007 5.793 1.00 0.00 N ATOM 347 CA VAL A 23 3.563 2.420 5.328 1.00 0.00 C ATOM 348 C VAL A 23 3.165 3.399 6.493 1.00 0.00 C ATOM 349 O VAL A 23 3.739 4.482 6.576 1.00 0.00 O ATOM 350 CB VAL A 23 2.559 2.502 4.133 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.407 3.947 3.592 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.968 1.641 2.917 1.00 0.00 C ATOM 0 H VAL A 23 3.123 0.335 5.405 1.00 0.00 H new ATOM 0 HA VAL A 23 4.530 2.762 4.959 1.00 0.00 H new ATOM 0 HB VAL A 23 1.628 2.131 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.699 3.953 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.040 4.596 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.375 4.309 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.224 1.749 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.939 1.971 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.030 0.595 3.216 1.00 0.00 H new ATOM 362 N GLU A 24 2.255 3.007 7.395 1.00 0.00 N ATOM 363 CA GLU A 24 2.094 3.653 8.741 1.00 0.00 C ATOM 364 C GLU A 24 3.425 3.962 9.515 1.00 0.00 C ATOM 365 O GLU A 24 3.627 5.089 9.970 1.00 0.00 O ATOM 366 CB GLU A 24 1.164 2.672 9.500 1.00 0.00 C ATOM 367 CG GLU A 24 0.786 2.970 10.962 1.00 0.00 C ATOM 368 CD GLU A 24 0.540 1.691 11.774 1.00 0.00 C ATOM 369 OE1 GLU A 24 -0.332 0.878 11.401 1.00 0.00 O ATOM 370 OE2 GLU A 24 1.256 1.473 12.774 1.00 0.00 O ATOM 0 H GLU A 24 1.604 2.239 7.231 1.00 0.00 H new ATOM 0 HA GLU A 24 1.683 4.657 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.237 2.593 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.636 1.690 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.583 3.547 11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.111 3.589 10.984 1.00 0.00 H new ATOM 377 N GLN A 25 4.311 2.965 9.634 1.00 0.00 N ATOM 378 CA GLN A 25 5.536 3.058 10.467 1.00 0.00 C ATOM 379 C GLN A 25 6.868 3.453 9.737 1.00 0.00 C ATOM 380 O GLN A 25 7.879 3.599 10.430 1.00 0.00 O ATOM 381 CB GLN A 25 5.689 1.690 11.201 1.00 0.00 C ATOM 382 CG GLN A 25 4.590 1.444 12.265 1.00 0.00 C ATOM 383 CD GLN A 25 4.449 0.004 12.734 1.00 0.00 C ATOM 384 OE1 GLN A 25 5.355 -0.820 12.652 1.00 0.00 O ATOM 385 NE2 GLN A 25 3.304 -0.353 13.258 1.00 0.00 N ATOM 0 H GLN A 25 4.207 2.068 9.159 1.00 0.00 H new ATOM 0 HA GLN A 25 5.388 3.898 11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.661 0.885 10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.667 1.650 11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.799 2.072 13.131 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.633 1.771 11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.544 0.323 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.172 -1.307 13.593 1.00 0.00 H new ATOM 394 N LEU A 26 6.894 3.667 8.404 1.00 0.00 N ATOM 395 CA LEU A 26 8.116 4.126 7.681 1.00 0.00 C ATOM 396 C LEU A 26 8.718 5.514 8.043 1.00 0.00 C ATOM 397 O LEU A 26 9.942 5.660 7.965 1.00 0.00 O ATOM 398 CB LEU A 26 8.023 3.839 6.162 1.00 0.00 C ATOM 399 CG LEU A 26 6.943 4.496 5.290 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.150 5.978 4.984 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.876 3.755 3.934 1.00 0.00 C ATOM 0 H LEU A 26 6.084 3.531 7.799 1.00 0.00 H new ATOM 0 HA LEU A 26 8.897 3.492 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.987 4.106 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.910 2.761 6.049 1.00 0.00 H new ATOM 0 HG LEU A 26 6.027 4.423 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.330 6.339 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.174 6.542 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.093 6.112 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.112 4.213 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.843 3.821 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.626 2.708 4.104 1.00 0.00 H new ATOM 413 N GLN A 27 7.886 6.501 8.425 1.00 0.00 N ATOM 414 CA GLN A 27 8.313 7.870 8.850 1.00 0.00 C ATOM 415 C GLN A 27 9.424 8.573 8.001 1.00 0.00 C ATOM 416 O GLN A 27 10.491 8.938 8.505 1.00 0.00 O ATOM 417 CB GLN A 27 8.543 7.843 10.379 1.00 0.00 C ATOM 418 CG GLN A 27 8.641 9.207 11.093 1.00 0.00 C ATOM 419 CD GLN A 27 7.372 10.047 11.069 1.00 0.00 C ATOM 420 OE1 GLN A 27 6.423 9.804 11.806 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.297 11.056 10.233 1.00 0.00 N ATOM 0 H GLN A 27 6.874 6.378 8.451 1.00 0.00 H new ATOM 0 HA GLN A 27 7.499 8.557 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.729 7.279 10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.462 7.291 10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.924 9.035 12.132 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.446 9.781 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.081 11.266 9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.454 11.630 10.201 1.00 0.00 H new ATOM 430 N VAL A 28 9.147 8.729 6.704 1.00 0.00 N ATOM 431 CA VAL A 28 10.063 9.390 5.733 1.00 0.00 C ATOM 432 C VAL A 28 9.435 10.774 5.352 1.00 0.00 C ATOM 433 O VAL A 28 8.313 10.830 4.844 1.00 0.00 O ATOM 434 CB VAL A 28 10.267 8.481 4.472 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.165 9.143 3.398 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.917 7.116 4.801 1.00 0.00 C ATOM 0 H VAL A 28 8.278 8.402 6.282 1.00 0.00 H new ATOM 0 HA VAL A 28 11.048 9.546 6.173 1.00 0.00 H new ATOM 0 HB VAL A 28 9.254 8.335 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.272 8.469 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.709 10.076 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.147 9.350 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.030 6.536 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.897 7.278 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.283 6.570 5.500 1.00 0.00 H new ATOM 446 N GLY A 29 10.196 11.857 5.557 1.00 0.00 N ATOM 447 CA GLY A 29 9.816 13.211 5.091 1.00 0.00 C ATOM 448 C GLY A 29 10.858 13.799 4.131 1.00 0.00 C ATOM 449 O GLY A 29 11.611 14.692 4.516 1.00 0.00 O ATOM 0 H GLY A 29 11.090 11.827 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.848 13.165 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.701 13.872 5.950 1.00 0.00 H new ATOM 453 N GLN A 30 10.903 13.267 2.901 1.00 0.00 N ATOM 454 CA GLN A 30 12.006 13.555 1.940 1.00 0.00 C ATOM 455 C GLN A 30 11.503 14.010 0.544 1.00 0.00 C ATOM 456 O GLN A 30 11.958 15.047 0.055 1.00 0.00 O ATOM 457 CB GLN A 30 12.926 12.304 1.894 1.00 0.00 C ATOM 458 CG GLN A 30 14.216 12.425 1.058 1.00 0.00 C ATOM 459 CD GLN A 30 15.221 13.461 1.536 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.211 14.612 1.117 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.123 13.107 2.420 1.00 0.00 N ATOM 0 H GLN A 30 10.192 12.632 2.537 1.00 0.00 H new ATOM 0 HA GLN A 30 12.581 14.414 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.205 12.049 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.345 11.468 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.707 11.452 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.940 12.662 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.141 12.151 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.807 13.787 2.752 1.00 0.00 H new ATOM 470 N SER A 31 10.647 13.235 -0.147 1.00 0.00 N ATOM 471 CA SER A 31 10.232 13.554 -1.541 1.00 0.00 C ATOM 472 C SER A 31 8.953 12.779 -1.970 1.00 0.00 C ATOM 473 O SER A 31 8.767 11.606 -1.626 1.00 0.00 O ATOM 474 CB SER A 31 11.389 13.252 -2.532 1.00 0.00 C ATOM 475 OG SER A 31 12.471 14.168 -2.356 1.00 0.00 O ATOM 0 H SER A 31 10.226 12.385 0.228 1.00 0.00 H new ATOM 0 HA SER A 31 9.996 14.618 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.744 12.232 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.020 13.313 -3.556 1.00 0.00 H new ATOM 0 HG SER A 31 12.262 14.785 -1.624 1.00 0.00 H new ATOM 481 N LYS A 32 8.116 13.433 -2.792 1.00 0.00 N ATOM 482 CA LYS A 32 6.969 12.774 -3.466 1.00 0.00 C ATOM 483 C LYS A 32 7.349 11.762 -4.571 1.00 0.00 C ATOM 484 O LYS A 32 6.824 10.650 -4.571 1.00 0.00 O ATOM 485 CB LYS A 32 5.902 13.807 -3.889 1.00 0.00 C ATOM 486 CG LYS A 32 6.017 14.517 -5.239 1.00 0.00 C ATOM 487 CD LYS A 32 4.902 15.557 -5.435 1.00 0.00 C ATOM 488 CE LYS A 32 5.137 16.910 -4.759 1.00 0.00 C ATOM 489 NZ LYS A 32 6.157 17.705 -5.497 1.00 0.00 N ATOM 0 H LYS A 32 8.208 14.425 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 32 6.509 12.131 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.936 13.302 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.874 14.578 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.988 15.007 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.972 13.781 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.768 15.723 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.969 15.139 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.200 17.466 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.465 16.755 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.249 18.644 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.073 17.214 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.862 17.813 -6.488 1.00 0.00 H new ATOM 503 N GLN A 33 8.268 12.131 -5.480 1.00 0.00 N ATOM 504 CA GLN A 33 8.795 11.208 -6.515 1.00 0.00 C ATOM 505 C GLN A 33 9.503 9.912 -6.034 1.00 0.00 C ATOM 506 O GLN A 33 9.391 8.899 -6.721 1.00 0.00 O ATOM 507 CB GLN A 33 9.599 11.987 -7.582 1.00 0.00 C ATOM 508 CG GLN A 33 10.751 12.913 -7.150 1.00 0.00 C ATOM 509 CD GLN A 33 12.032 12.283 -6.635 1.00 0.00 C ATOM 510 OE1 GLN A 33 12.408 11.158 -6.948 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.787 13.008 -5.846 1.00 0.00 N ATOM 0 H GLN A 33 8.667 13.069 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 33 7.900 10.788 -6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.013 11.255 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.889 12.593 -8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.010 13.540 -8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.371 13.574 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.490 13.946 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.672 12.635 -5.502 1.00 0.00 H new ATOM 520 N GLN A 34 10.147 9.909 -4.858 1.00 0.00 N ATOM 521 CA GLN A 34 10.650 8.661 -4.233 1.00 0.00 C ATOM 522 C GLN A 34 9.518 7.753 -3.653 1.00 0.00 C ATOM 523 O GLN A 34 9.434 6.587 -4.045 1.00 0.00 O ATOM 524 CB GLN A 34 11.714 8.988 -3.159 1.00 0.00 C ATOM 525 CG GLN A 34 13.013 9.650 -3.662 1.00 0.00 C ATOM 526 CD GLN A 34 13.907 8.761 -4.512 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.615 7.893 -4.013 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.919 8.934 -5.812 1.00 0.00 N ATOM 0 H GLN A 34 10.335 10.752 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 34 11.114 8.078 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.260 9.645 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.978 8.063 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.750 10.534 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.584 9.993 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.333 9.653 -6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.514 8.349 -6.399 1.00 0.00 H new ATOM 537 N VAL A 35 8.642 8.270 -2.771 1.00 0.00 N ATOM 538 CA VAL A 35 7.489 7.480 -2.236 1.00 0.00 C ATOM 539 C VAL A 35 6.425 7.050 -3.294 1.00 0.00 C ATOM 540 O VAL A 35 5.984 5.898 -3.258 1.00 0.00 O ATOM 541 CB VAL A 35 6.937 8.177 -0.955 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.088 9.433 -1.194 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.128 7.213 -0.067 1.00 0.00 C ATOM 0 H VAL A 35 8.699 9.222 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 35 7.861 6.500 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 35 7.849 8.497 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.757 9.836 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.684 10.181 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.219 9.175 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.765 7.746 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.280 6.824 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.765 6.386 0.247 1.00 0.00 H new ATOM 553 N SER A 36 6.062 7.922 -4.250 1.00 0.00 N ATOM 554 CA SER A 36 5.171 7.556 -5.382 1.00 0.00 C ATOM 555 C SER A 36 5.776 6.567 -6.419 1.00 0.00 C ATOM 556 O SER A 36 5.066 5.648 -6.827 1.00 0.00 O ATOM 557 CB SER A 36 4.674 8.875 -6.029 1.00 0.00 C ATOM 558 OG SER A 36 3.477 8.674 -6.771 1.00 0.00 O ATOM 0 H SER A 36 6.371 8.894 -4.267 1.00 0.00 H new ATOM 0 HA SER A 36 4.337 6.981 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.501 9.620 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.448 9.273 -6.686 1.00 0.00 H new ATOM 0 HG SER A 36 3.534 9.158 -7.621 1.00 0.00 H new ATOM 564 N ALA A 37 7.070 6.673 -6.786 1.00 0.00 N ATOM 565 CA ALA A 37 7.760 5.611 -7.568 1.00 0.00 C ATOM 566 C ALA A 37 7.857 4.208 -6.889 1.00 0.00 C ATOM 567 O ALA A 37 7.597 3.207 -7.559 1.00 0.00 O ATOM 568 CB ALA A 37 9.155 6.130 -7.944 1.00 0.00 C ATOM 0 H ALA A 37 7.659 7.474 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 37 7.139 5.423 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.683 5.370 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.057 7.035 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.716 6.354 -7.037 1.00 0.00 H new ATOM 574 N LEU A 38 8.183 4.139 -5.586 1.00 0.00 N ATOM 575 CA LEU A 38 8.153 2.867 -4.813 1.00 0.00 C ATOM 576 C LEU A 38 6.727 2.240 -4.641 1.00 0.00 C ATOM 577 O LEU A 38 6.565 1.049 -4.907 1.00 0.00 O ATOM 578 CB LEU A 38 8.863 3.069 -3.446 1.00 0.00 C ATOM 579 CG LEU A 38 10.381 2.769 -3.421 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.230 3.692 -4.299 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.888 2.875 -1.968 1.00 0.00 C ATOM 0 H LEU A 38 8.473 4.948 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 38 8.698 2.132 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.711 4.101 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.375 2.433 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 38 10.494 1.765 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.279 3.407 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.909 3.604 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.108 4.723 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.957 2.665 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.706 3.881 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.360 2.153 -1.345 1.00 0.00 H new ATOM 593 N LEU A 39 5.720 3.024 -4.240 1.00 0.00 N ATOM 594 CA LEU A 39 4.297 2.579 -4.222 1.00 0.00 C ATOM 595 C LEU A 39 3.602 2.300 -5.607 1.00 0.00 C ATOM 596 O LEU A 39 2.644 1.522 -5.659 1.00 0.00 O ATOM 597 CB LEU A 39 3.503 3.671 -3.457 1.00 0.00 C ATOM 598 CG LEU A 39 3.755 3.722 -1.926 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.183 5.031 -1.365 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.107 2.546 -1.185 1.00 0.00 C ATOM 0 H LEU A 39 5.854 3.983 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 39 4.295 1.598 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.752 4.643 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.439 3.511 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 39 4.832 3.662 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.357 5.073 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.674 5.878 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.112 5.073 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.314 2.630 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.029 2.562 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.517 1.609 -1.561 1.00 0.00 H new ATOM 612 N GLY A 40 4.057 2.952 -6.678 1.00 0.00 N ATOM 613 CA GLY A 40 3.623 2.682 -8.065 1.00 0.00 C ATOM 614 C GLY A 40 2.622 3.705 -8.616 1.00 0.00 C ATOM 615 O GLY A 40 1.434 3.398 -8.757 1.00 0.00 O ATOM 0 H GLY A 40 4.750 3.697 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.500 2.663 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.173 1.690 -8.107 1.00 0.00 H new ATOM 619 N THR A 41 3.086 4.934 -8.858 1.00 0.00 N ATOM 620 CA THR A 41 2.230 6.109 -9.219 1.00 0.00 C ATOM 621 C THR A 41 3.180 7.277 -9.701 1.00 0.00 C ATOM 622 O THR A 41 4.281 7.422 -9.156 1.00 0.00 O ATOM 623 CB THR A 41 1.348 6.540 -8.005 1.00 0.00 C ATOM 624 OG1 THR A 41 0.464 5.477 -7.658 1.00 0.00 O ATOM 625 CG2 THR A 41 0.435 7.739 -8.209 1.00 0.00 C ATOM 0 H THR A 41 4.079 5.163 -8.813 1.00 0.00 H new ATOM 0 HA THR A 41 1.544 5.849 -10.025 1.00 0.00 H new ATOM 0 HB THR A 41 2.089 6.804 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.536 4.761 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.121 7.933 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.034 8.614 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.263 7.531 -9.020 1.00 0.00 H new ATOM 633 N PRO A 42 2.809 8.161 -10.665 1.00 0.00 N ATOM 634 CA PRO A 42 3.624 9.382 -10.993 1.00 0.00 C ATOM 635 C PRO A 42 3.685 10.475 -9.882 1.00 0.00 C ATOM 636 O PRO A 42 3.125 10.344 -8.787 1.00 0.00 O ATOM 637 CB PRO A 42 2.967 9.841 -12.327 1.00 0.00 C ATOM 638 CG PRO A 42 1.506 9.351 -12.240 1.00 0.00 C ATOM 639 CD PRO A 42 1.628 7.993 -11.537 1.00 0.00 C ATOM 0 HA PRO A 42 4.690 9.170 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.014 10.924 -12.438 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.478 9.409 -13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.883 10.043 -11.673 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.055 9.253 -13.228 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.733 7.758 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.769 7.182 -12.252 1.00 0.00 H new ATOM 647 N SER A 43 4.442 11.537 -10.172 1.00 0.00 N ATOM 648 CA SER A 43 4.648 12.689 -9.273 1.00 0.00 C ATOM 649 C SER A 43 3.941 13.992 -9.770 1.00 0.00 C ATOM 650 O SER A 43 3.311 14.051 -10.829 1.00 0.00 O ATOM 651 CB SER A 43 6.194 12.831 -9.142 1.00 0.00 C ATOM 652 OG SER A 43 6.840 13.210 -10.360 1.00 0.00 O ATOM 0 H SER A 43 4.942 11.627 -11.056 1.00 0.00 H new ATOM 0 HA SER A 43 4.186 12.523 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.419 13.573 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.610 11.883 -8.800 1.00 0.00 H new ATOM 0 HG SER A 43 7.806 13.283 -10.209 1.00 0.00 H new ATOM 658 N ILE A 44 4.088 15.045 -8.963 1.00 0.00 N ATOM 659 CA ILE A 44 3.550 16.406 -9.256 1.00 0.00 C ATOM 660 C ILE A 44 4.800 17.371 -9.345 1.00 0.00 C ATOM 661 O ILE A 44 5.243 17.856 -8.293 1.00 0.00 O ATOM 662 CB ILE A 44 2.494 16.889 -8.189 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.314 15.894 -7.992 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.910 18.270 -8.591 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.468 16.173 -6.747 1.00 0.00 C ATOM 0 H ILE A 44 4.587 14.992 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 44 2.997 16.401 -10.195 1.00 0.00 H new ATOM 0 HB ILE A 44 3.036 16.954 -7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.671 15.930 -8.871 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.712 14.881 -7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.183 18.589 -7.844 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.715 19.002 -8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.421 18.190 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.334 15.437 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.096 16.108 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.038 17.172 -6.815 1.00 0.00 H new ATOM 677 N PRO A 45 5.395 17.660 -10.536 1.00 0.00 N ATOM 678 CA PRO A 45 6.613 18.534 -10.638 1.00 0.00 C ATOM 679 C PRO A 45 6.313 20.039 -10.907 1.00 0.00 C ATOM 680 O PRO A 45 6.579 20.561 -11.993 1.00 0.00 O ATOM 681 CB PRO A 45 7.374 17.818 -11.791 1.00 0.00 C ATOM 682 CG PRO A 45 6.251 17.348 -12.746 1.00 0.00 C ATOM 683 CD PRO A 45 5.127 16.915 -11.791 1.00 0.00 C ATOM 0 HA PRO A 45 7.177 18.617 -9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.067 18.494 -12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.961 16.977 -11.420 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.927 18.149 -13.410 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.581 16.524 -13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.146 17.161 -12.196 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.142 15.838 -11.624 1.00 0.00 H new ATOM 691 N ASP A 46 5.806 20.735 -9.882 1.00 0.00 N ATOM 692 CA ASP A 46 5.635 22.210 -9.902 1.00 0.00 C ATOM 693 C ASP A 46 6.595 22.883 -8.859 1.00 0.00 C ATOM 694 O ASP A 46 6.508 22.549 -7.671 1.00 0.00 O ATOM 695 CB ASP A 46 4.145 22.562 -9.670 1.00 0.00 C ATOM 696 CG ASP A 46 3.815 24.060 -9.653 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.492 24.853 -10.342 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.902 24.462 -8.904 1.00 0.00 O ATOM 0 H ASP A 46 5.500 20.300 -9.011 1.00 0.00 H new ATOM 0 HA ASP A 46 5.912 22.607 -10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.552 22.086 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.831 22.128 -8.721 1.00 0.00 H new ATOM 703 N PRO A 47 7.465 23.864 -9.217 1.00 0.00 N ATOM 704 CA PRO A 47 8.105 24.769 -8.211 1.00 0.00 C ATOM 705 C PRO A 47 7.223 25.878 -7.554 1.00 0.00 C ATOM 706 O PRO A 47 7.688 26.473 -6.580 1.00 0.00 O ATOM 707 CB PRO A 47 9.273 25.359 -9.049 1.00 0.00 C ATOM 708 CG PRO A 47 8.704 25.461 -10.483 1.00 0.00 C ATOM 709 CD PRO A 47 7.793 24.227 -10.613 1.00 0.00 C ATOM 0 HA PRO A 47 8.379 24.217 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.579 26.335 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.152 24.715 -9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.145 26.386 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.499 25.450 -11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.894 24.455 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.300 23.411 -11.127 1.00 0.00 H new ATOM 717 N PHE A 48 6.003 26.166 -8.044 1.00 0.00 N ATOM 718 CA PHE A 48 5.095 27.173 -7.430 1.00 0.00 C ATOM 719 C PHE A 48 4.337 26.580 -6.207 1.00 0.00 C ATOM 720 O PHE A 48 4.648 26.975 -5.080 1.00 0.00 O ATOM 721 CB PHE A 48 4.216 27.747 -8.570 1.00 0.00 C ATOM 722 CG PHE A 48 3.599 29.143 -8.338 1.00 0.00 C ATOM 723 CD1 PHE A 48 2.906 29.479 -7.159 1.00 0.00 C ATOM 724 CD2 PHE A 48 3.698 30.116 -9.346 1.00 0.00 C ATOM 725 CE1 PHE A 48 2.342 30.745 -6.993 1.00 0.00 C ATOM 726 CE2 PHE A 48 3.133 31.383 -9.181 1.00 0.00 C ATOM 727 CZ PHE A 48 2.456 31.694 -8.005 1.00 0.00 C ATOM 0 H PHE A 48 5.614 25.714 -8.872 1.00 0.00 H new ATOM 0 HA PHE A 48 5.636 28.010 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.820 27.789 -9.476 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.405 27.044 -8.760 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.809 28.746 -6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.219 29.881 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.818 30.988 -6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.221 32.120 -9.965 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.019 32.673 -7.878 1.00 0.00 H new ATOM 737 N HIS A 49 3.362 25.670 -6.394 1.00 0.00 N ATOM 738 CA HIS A 49 2.784 24.890 -5.271 1.00 0.00 C ATOM 739 C HIS A 49 2.335 23.489 -5.779 1.00 0.00 C ATOM 740 O HIS A 49 1.173 23.272 -6.143 1.00 0.00 O ATOM 741 CB HIS A 49 1.668 25.695 -4.563 1.00 0.00 C ATOM 742 CG HIS A 49 1.143 25.013 -3.288 1.00 0.00 C ATOM 743 ND1 HIS A 49 1.917 24.752 -2.172 1.00 0.00 N ATOM 744 CD2 HIS A 49 -0.108 24.384 -3.145 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.072 23.936 -1.472 1.00 0.00 C ATOM 746 NE2 HIS A 49 -0.182 23.670 -1.960 1.00 0.00 N ATOM 0 H HIS A 49 2.957 25.454 -7.305 1.00 0.00 H new ATOM 0 HA HIS A 49 3.541 24.712 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.049 26.684 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.840 25.842 -5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.908 24.450 -3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.392 23.502 -0.536 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.941 23.113 -1.568 1.00 0.00 H new ATOM 754 N ALA A 50 3.255 22.518 -5.717 1.00 0.00 N ATOM 755 CA ALA A 50 2.940 21.102 -5.965 1.00 0.00 C ATOM 756 C ALA A 50 2.251 20.439 -4.739 1.00 0.00 C ATOM 757 O ALA A 50 2.865 20.197 -3.695 1.00 0.00 O ATOM 758 CB ALA A 50 4.266 20.433 -6.315 1.00 0.00 C ATOM 0 H ALA A 50 4.236 22.689 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 50 2.224 20.993 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.099 19.374 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.688 20.904 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.960 20.542 -5.481 1.00 0.00 H new ATOM 764 N GLN A 51 0.952 20.180 -4.901 1.00 0.00 N ATOM 765 CA GLN A 51 0.043 19.816 -3.784 1.00 0.00 C ATOM 766 C GLN A 51 0.245 18.363 -3.224 1.00 0.00 C ATOM 767 O GLN A 51 1.151 17.624 -3.622 1.00 0.00 O ATOM 768 CB GLN A 51 -1.403 20.030 -4.347 1.00 0.00 C ATOM 769 CG GLN A 51 -1.800 21.504 -4.573 1.00 0.00 C ATOM 770 CD GLN A 51 -3.188 21.672 -5.177 1.00 0.00 C ATOM 771 OE1 GLN A 51 -4.208 21.511 -4.511 1.00 0.00 O ATOM 772 NE2 GLN A 51 -3.284 22.013 -6.438 1.00 0.00 N ATOM 0 H GLN A 51 0.488 20.214 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 51 0.253 20.441 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.492 19.496 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.116 19.578 -3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.760 22.033 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.067 21.973 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.441 22.148 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.202 22.144 -6.863 1.00 0.00 H new ATOM 781 N ARG A 52 -0.639 17.960 -2.297 1.00 0.00 N ATOM 782 CA ARG A 52 -0.821 16.542 -1.896 1.00 0.00 C ATOM 783 C ARG A 52 -1.100 15.558 -3.086 1.00 0.00 C ATOM 784 O ARG A 52 -1.636 15.945 -4.129 1.00 0.00 O ATOM 785 CB ARG A 52 -1.962 16.542 -0.821 1.00 0.00 C ATOM 786 CG ARG A 52 -3.405 16.523 -1.349 1.00 0.00 C ATOM 787 CD ARG A 52 -4.454 17.334 -0.592 1.00 0.00 C ATOM 788 NE ARG A 52 -4.255 18.797 -0.720 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.544 19.527 -1.796 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.143 19.081 -2.874 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.190 20.777 -1.790 1.00 0.00 N ATOM 0 H ARG A 52 -1.253 18.605 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 52 0.111 16.152 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.823 15.673 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.840 17.426 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.388 16.877 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.738 15.486 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.445 17.073 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.427 17.060 0.463 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.863 19.287 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.426 18.103 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.326 19.712 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.708 21.167 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.394 21.369 -2.596 1.00 0.00 H new ATOM 805 N TRP A 53 -0.819 14.274 -2.875 1.00 0.00 N ATOM 806 CA TRP A 53 -1.372 13.186 -3.744 1.00 0.00 C ATOM 807 C TRP A 53 -2.750 12.778 -3.172 1.00 0.00 C ATOM 808 O TRP A 53 -2.818 11.952 -2.267 1.00 0.00 O ATOM 809 CB TRP A 53 -0.290 12.098 -3.788 1.00 0.00 C ATOM 810 CG TRP A 53 -0.578 10.643 -4.263 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.771 10.066 -4.789 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.287 9.560 -4.109 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.670 8.675 -4.951 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.395 8.379 -4.512 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.618 9.472 -3.580 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.246 7.112 -4.391 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.209 8.222 -3.460 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.535 7.057 -3.868 1.00 0.00 C ATOM 0 H TRP A 53 -0.218 13.942 -2.121 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.578 13.463 -4.778 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.509 12.480 -4.423 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.115 12.021 -2.779 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.655 10.636 -5.036 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.376 8.032 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.150 10.363 -3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.260 6.209 -4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.203 8.143 -3.046 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.027 6.100 -3.774 1.00 0.00 H new ATOM 829 N ASP A 54 -3.828 13.351 -3.713 1.00 0.00 N ATOM 830 CA ASP A 54 -5.227 13.030 -3.338 1.00 0.00 C ATOM 831 C ASP A 54 -5.965 12.177 -4.421 1.00 0.00 C ATOM 832 O ASP A 54 -6.997 12.585 -4.962 1.00 0.00 O ATOM 833 CB ASP A 54 -5.955 14.336 -2.931 1.00 0.00 C ATOM 834 CG ASP A 54 -5.810 15.648 -3.710 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.160 15.717 -4.774 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.290 16.676 -3.185 1.00 0.00 O ATOM 0 H ASP A 54 -3.763 14.065 -4.438 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.229 12.375 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.020 14.104 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.656 14.550 -1.905 1.00 0.00 H new ATOM 841 N TYR A 55 -5.439 10.970 -4.731 1.00 0.00 N ATOM 842 CA TYR A 55 -5.823 10.234 -5.967 1.00 0.00 C ATOM 843 C TYR A 55 -5.913 8.692 -5.723 1.00 0.00 C ATOM 844 O TYR A 55 -5.040 8.079 -5.095 1.00 0.00 O ATOM 845 CB TYR A 55 -4.807 10.491 -7.137 1.00 0.00 C ATOM 846 CG TYR A 55 -4.607 11.966 -7.520 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.694 12.743 -7.952 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.404 12.613 -7.197 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.624 14.137 -7.919 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.334 14.006 -7.174 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.455 14.765 -7.499 1.00 0.00 C ATOM 852 OH TYR A 55 -4.519 16.051 -7.057 1.00 0.00 O ATOM 0 H TYR A 55 -4.754 10.485 -4.151 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.805 10.614 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.841 10.071 -6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.147 9.947 -8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.590 12.259 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.526 12.028 -6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.477 14.728 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.410 14.496 -6.904 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.317 16.078 -6.098 1.00 0.00 H new ATOM 862 N THR A 56 -6.943 8.064 -6.310 1.00 0.00 N ATOM 863 CA THR A 56 -7.104 6.584 -6.299 1.00 0.00 C ATOM 864 C THR A 56 -6.214 5.924 -7.393 1.00 0.00 C ATOM 865 O THR A 56 -6.635 5.746 -8.540 1.00 0.00 O ATOM 866 CB THR A 56 -8.616 6.230 -6.446 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.368 6.818 -5.390 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.926 4.736 -6.375 1.00 0.00 C ATOM 0 H THR A 56 -7.688 8.554 -6.805 1.00 0.00 H new ATOM 0 HA THR A 56 -6.761 6.178 -5.347 1.00 0.00 H new ATOM 0 HB THR A 56 -8.882 6.608 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.315 6.589 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.999 4.581 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.400 4.217 -7.176 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.601 4.342 -5.412 1.00 0.00 H new ATOM 876 N SER A 57 -4.991 5.521 -7.013 1.00 0.00 N ATOM 877 CA SER A 57 -4.136 4.670 -7.875 1.00 0.00 C ATOM 878 C SER A 57 -4.595 3.188 -7.869 1.00 0.00 C ATOM 879 O SER A 57 -5.016 2.657 -6.838 1.00 0.00 O ATOM 880 CB SER A 57 -2.654 4.851 -7.459 1.00 0.00 C ATOM 881 OG SER A 57 -2.278 4.208 -6.240 1.00 0.00 O ATOM 0 H SER A 57 -4.568 5.767 -6.118 1.00 0.00 H new ATOM 0 HA SER A 57 -4.238 4.991 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.020 4.472 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.448 5.917 -7.366 1.00 0.00 H new ATOM 0 HG SER A 57 -3.028 4.238 -5.609 1.00 0.00 H new ATOM 887 N THR A 58 -4.556 2.524 -9.027 1.00 0.00 N ATOM 888 CA THR A 58 -5.086 1.136 -9.164 1.00 0.00 C ATOM 889 C THR A 58 -4.360 0.360 -10.295 1.00 0.00 C ATOM 890 O THR A 58 -4.165 0.871 -11.402 1.00 0.00 O ATOM 891 CB THR A 58 -6.641 1.103 -9.275 1.00 0.00 C ATOM 892 OG1 THR A 58 -7.119 -0.241 -9.210 1.00 0.00 O ATOM 893 CG2 THR A 58 -7.248 1.741 -10.518 1.00 0.00 C ATOM 0 H THR A 58 -4.168 2.910 -9.888 1.00 0.00 H new ATOM 0 HA THR A 58 -4.859 0.603 -8.241 1.00 0.00 H new ATOM 0 HB THR A 58 -6.961 1.710 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.382 -0.839 -8.965 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.334 1.654 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.969 2.794 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.876 1.232 -11.407 1.00 0.00 H new ATOM 901 N GLN A 59 -3.982 -0.889 -9.995 1.00 0.00 N ATOM 902 CA GLN A 59 -3.342 -1.808 -10.976 1.00 0.00 C ATOM 903 C GLN A 59 -4.298 -2.988 -11.291 1.00 0.00 C ATOM 904 O GLN A 59 -4.551 -3.851 -10.444 1.00 0.00 O ATOM 905 CB GLN A 59 -1.920 -2.201 -10.514 1.00 0.00 C ATOM 906 CG GLN A 59 -1.765 -2.962 -9.186 1.00 0.00 C ATOM 907 CD GLN A 59 -0.313 -3.075 -8.736 1.00 0.00 C ATOM 908 OE1 GLN A 59 0.232 -2.177 -8.101 1.00 0.00 O ATOM 909 NE2 GLN A 59 0.352 -4.170 -9.011 1.00 0.00 N ATOM 0 H GLN A 59 -4.106 -1.301 -9.070 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.182 -1.305 -11.930 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.472 -2.810 -11.299 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.330 -1.287 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.342 -2.455 -8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.186 -3.962 -9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.096 -4.920 -9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.317 -4.273 -8.698 1.00 0.00 H new ATOM 918 N ARG A 60 -4.890 -2.975 -12.497 1.00 0.00 N ATOM 919 CA ARG A 60 -6.039 -3.858 -12.835 1.00 0.00 C ATOM 920 C ARG A 60 -5.720 -4.624 -14.153 1.00 0.00 C ATOM 921 O ARG A 60 -5.876 -4.083 -15.251 1.00 0.00 O ATOM 922 CB ARG A 60 -7.366 -3.046 -12.949 1.00 0.00 C ATOM 923 CG ARG A 60 -7.701 -2.186 -11.714 1.00 0.00 C ATOM 924 CD ARG A 60 -9.087 -1.525 -11.748 1.00 0.00 C ATOM 925 NE ARG A 60 -10.136 -2.339 -11.078 1.00 0.00 N ATOM 926 CZ ARG A 60 -10.329 -2.412 -9.760 1.00 0.00 C ATOM 927 NH1 ARG A 60 -9.590 -1.787 -8.880 1.00 0.00 N ATOM 928 NH2 ARG A 60 -11.294 -3.162 -9.318 1.00 0.00 N ATOM 0 H ARG A 60 -4.598 -2.365 -13.260 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.186 -4.580 -12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.305 -2.396 -13.822 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.187 -3.740 -13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.634 -2.811 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.945 -1.407 -11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.030 -0.549 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.376 -1.353 -12.785 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.758 -2.885 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.814 -1.202 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.790 -1.884 -7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.881 -3.677 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.464 -3.236 -8.315 1.00 0.00 H new ATOM 942 N VAL A 61 -5.236 -5.868 -14.027 1.00 0.00 N ATOM 943 CA VAL A 61 -4.701 -6.647 -15.181 1.00 0.00 C ATOM 944 C VAL A 61 -5.774 -7.321 -16.086 1.00 0.00 C ATOM 945 O VAL A 61 -5.791 -7.064 -17.291 1.00 0.00 O ATOM 946 CB VAL A 61 -3.535 -7.561 -14.676 1.00 0.00 C ATOM 947 CG1 VAL A 61 -3.915 -8.728 -13.750 1.00 0.00 C ATOM 948 CG2 VAL A 61 -2.693 -8.110 -15.845 1.00 0.00 C ATOM 0 H VAL A 61 -5.199 -6.368 -13.139 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.275 -5.952 -15.905 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.958 -6.874 -14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.017 -9.281 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.392 -8.338 -12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.606 -9.394 -14.268 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.894 -8.740 -15.454 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.329 -8.699 -16.506 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.260 -7.280 -16.403 1.00 0.00 H new ATOM 958 N ASP A 62 -6.618 -8.192 -15.519 1.00 0.00 N ATOM 959 CA ASP A 62 -7.522 -9.088 -16.295 1.00 0.00 C ATOM 960 C ASP A 62 -8.894 -9.276 -15.556 1.00 0.00 C ATOM 961 O ASP A 62 -9.114 -8.804 -14.433 1.00 0.00 O ATOM 962 CB ASP A 62 -6.718 -10.401 -16.482 1.00 0.00 C ATOM 963 CG ASP A 62 -7.236 -11.423 -17.488 1.00 0.00 C ATOM 964 OD1 ASP A 62 -8.282 -11.197 -18.137 1.00 0.00 O ATOM 965 OD2 ASP A 62 -6.596 -12.488 -17.614 1.00 0.00 O ATOM 0 H ASP A 62 -6.703 -8.305 -14.509 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.802 -8.680 -17.266 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.703 -10.132 -16.773 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.652 -10.893 -15.511 1.00 0.00 H new ATOM 970 N ARG A 63 -9.813 -10.026 -16.185 1.00 0.00 N ATOM 971 CA ARG A 63 -11.089 -10.466 -15.541 1.00 0.00 C ATOM 972 C ARG A 63 -10.901 -11.660 -14.531 1.00 0.00 C ATOM 973 O ARG A 63 -11.451 -12.752 -14.690 1.00 0.00 O ATOM 974 CB ARG A 63 -12.059 -10.763 -16.713 1.00 0.00 C ATOM 975 CG ARG A 63 -13.535 -10.956 -16.304 1.00 0.00 C ATOM 976 CD ARG A 63 -14.410 -11.262 -17.531 1.00 0.00 C ATOM 977 NE ARG A 63 -15.814 -11.462 -17.095 1.00 0.00 N ATOM 978 CZ ARG A 63 -16.829 -11.771 -17.897 1.00 0.00 C ATOM 979 NH1 ARG A 63 -16.711 -11.925 -19.193 1.00 0.00 N ATOM 980 NH2 ARG A 63 -18.006 -11.929 -17.367 1.00 0.00 N ATOM 0 H ARG A 63 -9.707 -10.349 -17.147 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.500 -9.690 -14.895 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.000 -9.944 -17.430 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.719 -11.662 -17.227 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.613 -11.771 -15.584 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.899 -10.056 -15.808 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.353 -10.442 -18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.044 -12.154 -18.039 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.017 -11.354 -16.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.802 -11.808 -19.640 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.529 -12.162 -19.755 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.132 -11.816 -16.361 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.803 -12.166 -17.957 1.00 0.00 H new ATOM 994 N LEU A 64 -10.123 -11.389 -13.479 1.00 0.00 N ATOM 995 CA LEU A 64 -9.639 -12.382 -12.498 1.00 0.00 C ATOM 996 C LEU A 64 -9.689 -11.767 -11.048 1.00 0.00 C ATOM 997 O LEU A 64 -9.863 -10.556 -10.857 1.00 0.00 O ATOM 998 CB LEU A 64 -8.161 -12.769 -12.833 1.00 0.00 C ATOM 999 CG LEU A 64 -7.881 -13.452 -14.188 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -6.375 -13.730 -14.327 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -8.661 -14.754 -14.374 1.00 0.00 C ATOM 0 H LEU A 64 -9.799 -10.444 -13.274 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.274 -13.266 -12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.559 -11.861 -12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.802 -13.431 -12.045 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.217 -12.765 -14.965 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.181 -14.212 -15.285 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.825 -12.790 -14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.050 -14.385 -13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.421 -15.186 -15.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.388 -15.457 -13.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.730 -14.548 -14.322 1.00 0.00 H new ATOM 1013 N ALA A 65 -9.444 -12.591 -10.016 1.00 0.00 N ATOM 1014 CA ALA A 65 -9.252 -12.087 -8.626 1.00 0.00 C ATOM 1015 C ALA A 65 -7.861 -11.414 -8.323 1.00 0.00 C ATOM 1016 O ALA A 65 -7.176 -11.745 -7.352 1.00 0.00 O ATOM 1017 CB ALA A 65 -9.557 -13.274 -7.701 1.00 0.00 C ATOM 0 H ALA A 65 -9.373 -13.604 -10.106 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.931 -11.251 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.433 -12.967 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.583 -13.606 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.872 -14.093 -7.921 1.00 0.00 H new ATOM 1023 N ARG A 66 -7.494 -10.416 -9.144 1.00 0.00 N ATOM 1024 CA ARG A 66 -6.331 -9.524 -8.889 1.00 0.00 C ATOM 1025 C ARG A 66 -6.546 -8.137 -9.591 1.00 0.00 C ATOM 1026 O ARG A 66 -5.839 -7.772 -10.537 1.00 0.00 O ATOM 1027 CB ARG A 66 -5.018 -10.234 -9.316 1.00 0.00 C ATOM 1028 CG ARG A 66 -3.720 -9.639 -8.726 1.00 0.00 C ATOM 1029 CD ARG A 66 -3.310 -10.200 -7.350 1.00 0.00 C ATOM 1030 NE ARG A 66 -4.215 -9.726 -6.282 1.00 0.00 N ATOM 1031 CZ ARG A 66 -4.592 -10.408 -5.213 1.00 0.00 C ATOM 1032 NH1 ARG A 66 -4.043 -11.530 -4.830 1.00 0.00 N ATOM 1033 NH2 ARG A 66 -5.534 -9.887 -4.489 1.00 0.00 N ATOM 0 H ARG A 66 -7.991 -10.198 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.244 -9.317 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.081 -11.283 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.948 -10.208 -10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.906 -9.814 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.840 -8.559 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.322 -11.289 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.287 -9.899 -7.123 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.585 -8.780 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.274 -11.931 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.383 -12.005 -3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.946 -8.993 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.862 -10.372 -3.654 1.00 0.00 H new ATOM 1047 N THR A 67 -7.526 -7.365 -9.100 1.00 0.00 N ATOM 1048 CA THR A 67 -7.879 -6.039 -9.665 1.00 0.00 C ATOM 1049 C THR A 67 -7.854 -5.004 -8.498 1.00 0.00 C ATOM 1050 O THR A 67 -8.808 -4.916 -7.714 1.00 0.00 O ATOM 1051 CB THR A 67 -9.264 -6.045 -10.369 1.00 0.00 C ATOM 1052 OG1 THR A 67 -10.319 -6.343 -9.452 1.00 0.00 O ATOM 1053 CG2 THR A 67 -9.384 -6.980 -11.567 1.00 0.00 C ATOM 0 H THR A 67 -8.100 -7.635 -8.301 1.00 0.00 H new ATOM 0 HA THR A 67 -7.154 -5.773 -10.434 1.00 0.00 H new ATOM 0 HB THR A 67 -9.357 -5.029 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.094 -5.986 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.388 -6.909 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.654 -6.696 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.196 -8.005 -11.249 1.00 0.00 H new ATOM 1061 N GLU A 68 -6.747 -4.270 -8.363 1.00 0.00 N ATOM 1062 CA GLU A 68 -6.249 -3.864 -7.028 1.00 0.00 C ATOM 1063 C GLU A 68 -6.430 -2.346 -6.777 1.00 0.00 C ATOM 1064 O GLU A 68 -5.877 -1.501 -7.492 1.00 0.00 O ATOM 1065 CB GLU A 68 -4.751 -4.267 -6.967 1.00 0.00 C ATOM 1066 CG GLU A 68 -4.464 -5.783 -6.956 1.00 0.00 C ATOM 1067 CD GLU A 68 -4.894 -6.530 -5.712 1.00 0.00 C ATOM 1068 OE1 GLU A 68 -4.371 -6.240 -4.617 1.00 0.00 O ATOM 1069 OE2 GLU A 68 -5.718 -7.466 -5.832 1.00 0.00 O ATOM 0 H GLU A 68 -6.179 -3.944 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.821 -4.363 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.240 -3.826 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.312 -3.827 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.960 -6.233 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.393 -5.931 -7.093 1.00 0.00 H new ATOM 1076 N ILE A 69 -7.217 -2.016 -5.751 1.00 0.00 N ATOM 1077 CA ILE A 69 -7.461 -0.621 -5.303 1.00 0.00 C ATOM 1078 C ILE A 69 -6.295 -0.186 -4.340 1.00 0.00 C ATOM 1079 O ILE A 69 -5.971 -0.885 -3.376 1.00 0.00 O ATOM 1080 CB ILE A 69 -8.850 -0.496 -4.576 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -10.104 -0.960 -5.378 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -9.139 0.991 -4.200 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -10.370 -2.465 -5.395 1.00 0.00 C ATOM 0 H ILE A 69 -7.714 -2.710 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.486 0.036 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.727 -1.163 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.980 -0.461 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.999 -0.618 -6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -10.104 1.058 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.357 1.356 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.158 1.598 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.266 -2.670 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.519 -2.980 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.515 -2.820 -4.375 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.690 0.981 -4.589 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.663 1.558 -3.682 1.00 0.00 C ATOM 1097 C LYS A 70 -4.737 3.120 -3.654 1.00 0.00 C ATOM 1098 O LYS A 70 -3.957 3.835 -4.294 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.260 0.948 -3.914 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.701 0.941 -5.341 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.262 0.399 -5.396 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.539 0.709 -6.718 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.073 2.126 -6.736 1.00 0.00 N ATOM 0 H LYS A 70 -5.887 1.553 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.895 1.260 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.554 1.487 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.282 -0.083 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.342 0.332 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.722 1.954 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.691 0.824 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.283 -0.681 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.311 0.038 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.210 0.530 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.291 2.360 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.868 2.756 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.683 2.252 -6.033 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.698 3.624 -2.867 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.903 5.061 -2.596 1.00 0.00 C ATOM 1119 C ASN A 71 -5.137 5.511 -1.317 1.00 0.00 C ATOM 1120 O ASN A 71 -5.276 4.943 -0.229 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.417 5.391 -2.520 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.262 4.634 -1.508 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.675 3.507 -1.751 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.517 5.193 -0.350 1.00 0.00 N ATOM 0 H ASN A 71 -6.374 3.031 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.486 5.631 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.517 6.456 -2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.846 5.221 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.060 4.689 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.172 6.132 -0.150 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.331 6.548 -1.504 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.426 7.085 -0.455 1.00 0.00 C ATOM 1133 C PHE A 72 -3.456 8.635 -0.511 1.00 0.00 C ATOM 1134 O PHE A 72 -2.930 9.218 -1.464 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.022 6.514 -0.790 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.897 6.748 0.226 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.041 6.421 1.585 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.355 7.180 -0.224 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.046 6.498 2.455 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.441 7.274 0.651 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.285 6.931 1.988 1.00 0.00 C ATOM 0 H PHE A 72 -4.275 7.054 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.717 6.800 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.123 5.439 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.706 6.937 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.004 6.107 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.485 7.445 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.073 6.222 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.400 7.613 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.124 7.000 2.665 1.00 0.00 H new ATOM 1151 N THR A 73 -4.052 9.302 0.493 1.00 0.00 N ATOM 1152 CA THR A 73 -4.071 10.794 0.545 1.00 0.00 C ATOM 1153 C THR A 73 -2.848 11.293 1.367 1.00 0.00 C ATOM 1154 O THR A 73 -2.881 11.317 2.600 1.00 0.00 O ATOM 1155 CB THR A 73 -5.436 11.329 1.061 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.507 10.825 0.268 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.546 12.854 0.980 1.00 0.00 C ATOM 0 H THR A 73 -4.524 8.848 1.275 1.00 0.00 H new ATOM 0 HA THR A 73 -3.974 11.202 -0.461 1.00 0.00 H new ATOM 0 HB THR A 73 -5.496 11.001 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.358 11.171 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.520 13.169 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.761 13.308 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.435 13.172 -0.057 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.766 11.658 0.668 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.452 11.983 1.300 1.00 0.00 C ATOM 1167 C VAL A 74 -0.026 13.442 0.978 1.00 0.00 C ATOM 1168 O VAL A 74 -0.074 13.901 -0.165 1.00 0.00 O ATOM 1169 CB VAL A 74 0.610 10.889 0.988 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.854 10.598 -0.494 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.993 11.201 1.602 1.00 0.00 C ATOM 0 H VAL A 74 -1.762 11.740 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.553 11.959 2.385 1.00 0.00 H new ATOM 0 HB VAL A 74 0.153 10.011 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.612 9.821 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.074 10.261 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.198 11.505 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.691 10.403 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.363 12.146 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.902 11.275 2.686 1.00 0.00 H new ATOM 1181 N PHE A 75 0.393 14.156 2.025 1.00 0.00 N ATOM 1182 CA PHE A 75 0.498 15.631 2.027 1.00 0.00 C ATOM 1183 C PHE A 75 1.977 16.090 1.897 1.00 0.00 C ATOM 1184 O PHE A 75 2.858 15.649 2.644 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.120 16.152 3.355 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.656 16.026 3.415 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.277 14.860 3.897 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.462 17.079 2.969 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -3.666 14.766 3.965 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.853 16.989 3.044 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.453 15.833 3.540 1.00 0.00 C ATOM 0 H PHE A 75 0.674 13.729 2.908 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.040 16.039 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.314 15.600 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.155 17.198 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.670 14.027 4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.004 17.969 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.130 13.868 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.465 17.817 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.529 15.765 3.595 1.00 0.00 H new ATOM 1201 N PHE A 76 2.216 16.997 0.948 1.00 0.00 N ATOM 1202 CA PHE A 76 3.573 17.512 0.625 1.00 0.00 C ATOM 1203 C PHE A 76 3.555 19.071 0.722 1.00 0.00 C ATOM 1204 O PHE A 76 2.580 19.702 0.292 1.00 0.00 O ATOM 1205 CB PHE A 76 4.013 17.085 -0.807 1.00 0.00 C ATOM 1206 CG PHE A 76 3.929 15.575 -1.100 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.801 14.649 -0.498 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.907 15.092 -1.927 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.627 13.279 -0.703 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.743 13.725 -2.136 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.597 12.820 -1.519 1.00 0.00 C ATOM 0 H PHE A 76 1.479 17.405 0.372 1.00 0.00 H new ATOM 0 HA PHE A 76 4.285 17.093 1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.394 17.614 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.040 17.412 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.609 15.000 0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.237 15.789 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.293 12.574 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.951 13.368 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.462 11.760 -1.672 1.00 0.00 H new ATOM 1221 N GLU A 77 4.617 19.695 1.261 1.00 0.00 N ATOM 1222 CA GLU A 77 4.683 21.198 1.349 1.00 0.00 C ATOM 1223 C GLU A 77 4.825 21.888 -0.046 1.00 0.00 C ATOM 1224 O GLU A 77 3.901 22.541 -0.535 1.00 0.00 O ATOM 1225 CB GLU A 77 5.626 21.645 2.491 1.00 0.00 C ATOM 1226 CG GLU A 77 7.065 22.104 2.231 1.00 0.00 C ATOM 1227 CD GLU A 77 8.099 21.127 1.709 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.787 20.277 0.848 1.00 0.00 O ATOM 1229 OE2 GLU A 77 9.269 21.243 2.125 1.00 0.00 O ATOM 0 H GLU A 77 5.432 19.212 1.639 1.00 0.00 H new ATOM 0 HA GLU A 77 3.716 21.591 1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.125 22.463 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.685 20.813 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.016 22.931 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.448 22.509 3.168 1.00 0.00 H new ATOM 1236 N ASN A 78 5.961 21.640 -0.695 1.00 0.00 N ATOM 1237 CA ASN A 78 6.072 21.553 -2.169 1.00 0.00 C ATOM 1238 C ASN A 78 6.699 20.184 -2.632 1.00 0.00 C ATOM 1239 O ASN A 78 6.347 19.736 -3.721 1.00 0.00 O ATOM 1240 CB ASN A 78 6.870 22.771 -2.692 1.00 0.00 C ATOM 1241 CG ASN A 78 6.735 22.998 -4.192 1.00 0.00 C ATOM 1242 OD1 ASN A 78 5.749 23.540 -4.671 1.00 0.00 O ATOM 1243 ND2 ASN A 78 7.673 22.563 -4.997 1.00 0.00 N ATOM 0 H ASN A 78 6.848 21.490 -0.215 1.00 0.00 H new ATOM 0 HA ASN A 78 5.072 21.580 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.534 23.666 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.924 22.635 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.574 22.679 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.502 22.108 -4.615 1.00 0.00 H new ATOM 1250 N GLU A 79 7.616 19.550 -1.876 1.00 0.00 N ATOM 1251 CA GLU A 79 8.182 18.215 -2.215 1.00 0.00 C ATOM 1252 C GLU A 79 8.298 17.253 -0.993 1.00 0.00 C ATOM 1253 O GLU A 79 7.961 16.077 -1.158 1.00 0.00 O ATOM 1254 CB GLU A 79 9.506 18.419 -2.988 1.00 0.00 C ATOM 1255 CG GLU A 79 10.165 17.173 -3.609 1.00 0.00 C ATOM 1256 CD GLU A 79 9.359 16.356 -4.603 1.00 0.00 C ATOM 1257 OE1 GLU A 79 8.630 16.930 -5.440 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.443 15.111 -4.555 1.00 0.00 O ATOM 0 H GLU A 79 7.990 19.943 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 79 7.482 17.691 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.322 19.136 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.225 18.877 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.081 17.493 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.459 16.511 -2.795 1.00 0.00 H new ATOM 1265 N GLN A 80 8.768 17.686 0.200 1.00 0.00 N ATOM 1266 CA GLN A 80 8.981 16.752 1.347 1.00 0.00 C ATOM 1267 C GLN A 80 7.666 16.340 2.058 1.00 0.00 C ATOM 1268 O GLN A 80 6.678 17.084 2.076 1.00 0.00 O ATOM 1269 CB GLN A 80 10.101 17.289 2.274 1.00 0.00 C ATOM 1270 CG GLN A 80 9.678 18.197 3.441 1.00 0.00 C ATOM 1271 CD GLN A 80 10.848 18.878 4.136 1.00 0.00 C ATOM 1272 OE1 GLN A 80 11.511 18.316 5.001 1.00 0.00 O ATOM 1273 NE2 GLN A 80 11.133 20.112 3.800 1.00 0.00 N ATOM 0 H GLN A 80 9.006 18.658 0.399 1.00 0.00 H new ATOM 0 HA GLN A 80 9.342 15.800 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.634 16.434 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.812 17.840 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.994 18.959 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.127 17.604 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.585 20.584 3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.903 20.600 4.257 1.00 0.00 H new ATOM 1282 N VAL A 81 7.648 15.129 2.630 1.00 0.00 N ATOM 1283 CA VAL A 81 6.380 14.489 3.070 1.00 0.00 C ATOM 1284 C VAL A 81 6.032 14.896 4.541 1.00 0.00 C ATOM 1285 O VAL A 81 6.838 14.705 5.457 1.00 0.00 O ATOM 1286 CB VAL A 81 6.402 12.921 2.951 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.955 12.392 2.877 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.212 12.327 1.786 1.00 0.00 C ATOM 0 H VAL A 81 8.483 14.569 2.802 1.00 0.00 H new ATOM 0 HA VAL A 81 5.610 14.855 2.391 1.00 0.00 H new ATOM 0 HB VAL A 81 6.925 12.591 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.969 11.305 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.416 12.681 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.457 12.816 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.147 11.239 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.809 12.689 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.255 12.631 1.876 1.00 0.00 H new ATOM 1298 N VAL A 82 4.815 15.409 4.743 1.00 0.00 N ATOM 1299 CA VAL A 82 4.329 15.833 6.088 1.00 0.00 C ATOM 1300 C VAL A 82 3.560 14.656 6.786 1.00 0.00 C ATOM 1301 O VAL A 82 4.014 14.174 7.825 1.00 0.00 O ATOM 1302 CB VAL A 82 3.512 17.168 5.988 1.00 0.00 C ATOM 1303 CG1 VAL A 82 3.057 17.687 7.373 1.00 0.00 C ATOM 1304 CG2 VAL A 82 4.310 18.326 5.336 1.00 0.00 C ATOM 0 H VAL A 82 4.134 15.547 3.996 1.00 0.00 H new ATOM 0 HA VAL A 82 5.178 16.060 6.733 1.00 0.00 H new ATOM 0 HB VAL A 82 2.657 16.901 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.496 18.613 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.423 16.940 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.931 17.874 7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.688 19.220 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.203 18.531 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.602 18.043 4.325 1.00 0.00 H new ATOM 1314 N ARG A 83 2.405 14.231 6.245 1.00 0.00 N ATOM 1315 CA ARG A 83 1.548 13.169 6.849 1.00 0.00 C ATOM 1316 C ARG A 83 0.647 12.484 5.775 1.00 0.00 C ATOM 1317 O ARG A 83 0.565 12.927 4.622 1.00 0.00 O ATOM 1318 CB ARG A 83 0.810 13.674 8.114 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.085 14.918 8.023 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.480 14.731 7.423 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.390 13.821 8.163 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.015 14.103 9.304 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.811 15.194 9.996 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.879 13.251 9.761 1.00 0.00 N ATOM 0 H ARG A 83 2.030 14.608 5.375 1.00 0.00 H new ATOM 0 HA ARG A 83 2.189 12.369 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.193 12.854 8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.565 13.870 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.201 15.326 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.439 15.669 7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.956 15.709 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.369 14.354 6.406 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.551 12.897 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.140 15.888 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.323 15.351 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.066 12.389 9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.372 13.443 10.633 1.00 0.00 H new ATOM 1338 N TRP A 84 0.019 11.356 6.137 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.647 10.462 5.163 1.00 0.00 C ATOM 1340 C TRP A 84 -1.859 9.671 5.727 1.00 0.00 C ATOM 1341 O TRP A 84 -1.816 9.110 6.826 1.00 0.00 O ATOM 1342 CB TRP A 84 0.352 9.504 4.482 1.00 0.00 C ATOM 1343 CG TRP A 84 1.301 8.643 5.348 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.027 7.391 5.958 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.642 8.898 5.634 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.142 6.900 6.654 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.128 7.837 6.437 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.531 9.937 5.208 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.495 7.815 6.839 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.859 9.894 5.614 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.333 8.849 6.428 1.00 0.00 C ATOM 0 H TRP A 84 -0.045 11.035 7.103 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.056 11.141 4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.225 8.823 3.856 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.973 10.102 3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.078 6.880 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.208 6.041 7.199 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.175 10.741 4.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.875 7.011 7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.537 10.674 5.300 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.367 8.848 6.740 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.892 9.581 4.884 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.149 8.859 5.186 1.00 0.00 C ATOM 1364 C GLU A 85 -4.284 7.679 4.173 1.00 0.00 C ATOM 1365 O GLU A 85 -4.552 7.873 2.980 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.331 9.858 5.097 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.682 10.601 6.400 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.595 11.410 7.080 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.003 12.321 6.467 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -4.335 11.166 8.276 1.00 0.00 O ATOM 0 H GLU A 85 -2.887 10.010 3.959 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.149 8.443 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.100 10.598 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.215 9.316 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.513 11.274 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.045 9.864 7.116 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.055 6.459 4.673 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.016 5.242 3.844 1.00 0.00 C ATOM 1379 C GLY A 86 -4.999 4.157 4.293 1.00 0.00 C ATOM 1380 O GLY A 86 -4.720 3.441 5.258 1.00 0.00 O ATOM 0 H GLY A 86 -3.891 6.284 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.233 5.511 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.006 4.834 3.862 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.099 4.010 3.547 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.018 2.843 3.693 1.00 0.00 C ATOM 1386 C ASP A 87 -7.384 2.363 2.259 1.00 0.00 C ATOM 1387 O ASP A 87 -8.078 3.047 1.503 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.235 3.199 4.564 1.00 0.00 C ATOM 1389 CG ASP A 87 -9.063 1.972 4.949 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -8.524 1.074 5.636 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.242 1.888 4.550 1.00 0.00 O ATOM 0 H ASP A 87 -6.387 4.678 2.832 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.538 2.020 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.894 3.701 5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.868 3.905 4.026 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.804 1.227 1.865 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.394 1.012 0.451 1.00 0.00 C ATOM 1398 C TYR A 88 -7.319 -0.014 -0.274 1.00 0.00 C ATOM 1399 O TYR A 88 -8.044 0.355 -1.197 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.904 0.585 0.398 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.874 1.513 1.056 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.545 1.314 2.406 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -3.129 2.438 0.312 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.484 1.997 2.991 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -2.059 3.116 0.901 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.736 2.889 2.238 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.692 3.530 2.821 1.00 0.00 O ATOM 0 H TYR A 88 -6.604 0.443 2.486 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.504 1.953 -0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.819 -0.396 0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.626 0.464 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.124 0.621 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.383 2.627 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.243 1.833 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.480 3.818 0.319 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.674 4.464 2.524 1.00 0.00 H new ATOM 1417 N PHE A 89 -7.286 -1.282 0.160 1.00 0.00 N ATOM 1418 CA PHE A 89 -8.266 -2.319 -0.257 1.00 0.00 C ATOM 1419 C PHE A 89 -8.700 -3.042 1.061 1.00 0.00 C ATOM 1420 O PHE A 89 -8.132 -4.098 1.365 1.00 0.00 O ATOM 1421 CB PHE A 89 -7.564 -3.211 -1.304 1.00 0.00 C ATOM 1422 CG PHE A 89 -8.389 -4.183 -2.165 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -9.707 -4.597 -1.872 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -7.765 -4.722 -3.300 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -10.367 -5.514 -2.693 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -8.427 -5.638 -4.121 1.00 0.00 C ATOM 1427 CZ PHE A 89 -9.726 -6.031 -3.816 1.00 0.00 C ATOM 0 H PHE A 89 -6.581 -1.627 0.812 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.171 -1.949 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.028 -2.550 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.815 -3.801 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.210 -4.200 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.756 -4.424 -3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -11.375 -5.822 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.931 -6.041 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 89 -10.238 -6.738 -4.451 1.00 0.00 H new ATOM 1437 N PRO A 90 -9.658 -2.530 1.892 1.00 0.00 N ATOM 1438 CA PRO A 90 -9.829 -3.025 3.312 1.00 0.00 C ATOM 1439 C PRO A 90 -10.620 -4.346 3.549 1.00 0.00 C ATOM 1440 O PRO A 90 -11.356 -4.498 4.526 1.00 0.00 O ATOM 1441 CB PRO A 90 -10.438 -1.776 4.003 1.00 0.00 C ATOM 1442 CG PRO A 90 -11.246 -1.072 2.887 1.00 0.00 C ATOM 1443 CD PRO A 90 -10.338 -1.234 1.660 1.00 0.00 C ATOM 0 HA PRO A 90 -8.879 -3.367 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.078 -2.057 4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.661 -1.124 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.219 -1.539 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.429 -0.023 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.914 -1.245 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.623 -0.415 1.581 1.00 0.00 H new ATOM 1451 N SER A 91 -10.347 -5.333 2.692 1.00 0.00 N ATOM 1452 CA SER A 91 -10.667 -6.764 2.927 1.00 0.00 C ATOM 1453 C SER A 91 -9.793 -7.680 1.996 1.00 0.00 C ATOM 1454 O SER A 91 -10.329 -8.486 1.226 1.00 0.00 O ATOM 1455 CB SER A 91 -12.189 -7.004 2.736 1.00 0.00 C ATOM 1456 OG SER A 91 -12.510 -8.394 2.823 1.00 0.00 O ATOM 0 H SER A 91 -9.889 -5.169 1.796 1.00 0.00 H new ATOM 0 HA SER A 91 -10.421 -7.030 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.744 -6.452 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.502 -6.616 1.766 1.00 0.00 H new ATOM 0 HG SER A 91 -11.905 -8.906 2.247 1.00 0.00 H new ATOM 1462 N GLN A 92 -8.454 -7.563 2.080 1.00 0.00 N ATOM 1463 CA GLN A 92 -7.535 -8.208 1.103 1.00 0.00 C ATOM 1464 C GLN A 92 -6.203 -8.640 1.782 1.00 0.00 C ATOM 1465 O GLN A 92 -5.215 -7.902 1.795 1.00 0.00 O ATOM 1466 CB GLN A 92 -7.355 -7.249 -0.105 1.00 0.00 C ATOM 1467 CG GLN A 92 -6.688 -7.851 -1.359 1.00 0.00 C ATOM 1468 CD GLN A 92 -5.172 -7.918 -1.333 1.00 0.00 C ATOM 1469 OE1 GLN A 92 -4.484 -6.904 -1.282 1.00 0.00 O ATOM 1470 NE2 GLN A 92 -4.589 -9.091 -1.360 1.00 0.00 N ATOM 0 H GLN A 92 -7.979 -7.031 2.809 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.961 -9.137 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.336 -6.867 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.762 -6.394 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.075 -8.860 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.992 -7.265 -2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.153 -9.940 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.571 -9.155 -1.339 1.00 0.00 H new ATOM 1479 N ASP A 93 -6.173 -9.892 2.257 1.00 0.00 N ATOM 1480 CA ASP A 93 -4.959 -10.744 2.186 1.00 0.00 C ATOM 1481 C ASP A 93 -5.442 -12.228 2.149 1.00 0.00 C ATOM 1482 O ASP A 93 -6.071 -12.737 3.082 1.00 0.00 O ATOM 1483 CB ASP A 93 -3.809 -10.423 3.149 1.00 0.00 C ATOM 1484 CG ASP A 93 -3.944 -10.658 4.637 1.00 0.00 C ATOM 1485 OD1 ASP A 93 -4.036 -11.829 5.057 1.00 0.00 O ATOM 1486 OD2 ASP A 93 -3.836 -9.688 5.418 1.00 0.00 O ATOM 0 H ASP A 93 -6.973 -10.346 2.697 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.426 -10.507 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.944 -10.995 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.566 -9.369 3.014 1.00 0.00 H new ATOM 1491 N GLU A 94 -5.187 -12.902 1.021 1.00 0.00 N ATOM 1492 CA GLU A 94 -5.705 -14.266 0.739 1.00 0.00 C ATOM 1493 C GLU A 94 -4.869 -15.379 1.476 1.00 0.00 C ATOM 1494 O GLU A 94 -4.098 -16.140 0.884 1.00 0.00 O ATOM 1495 CB GLU A 94 -5.726 -14.510 -0.797 1.00 0.00 C ATOM 1496 CG GLU A 94 -6.492 -13.505 -1.682 1.00 0.00 C ATOM 1497 CD GLU A 94 -5.741 -12.247 -2.090 1.00 0.00 C ATOM 1498 OE1 GLU A 94 -4.516 -12.293 -2.324 1.00 0.00 O ATOM 1499 OE2 GLU A 94 -6.368 -11.180 -2.234 1.00 0.00 O ATOM 0 H GLU A 94 -4.613 -12.523 0.268 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.722 -14.330 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.693 -14.540 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.150 -15.499 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.809 -14.021 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.397 -13.205 -1.153 1.00 0.00 H new ATOM 1506 N GLN A 95 -5.026 -15.406 2.804 1.00 0.00 N ATOM 1507 CA GLN A 95 -4.102 -16.118 3.714 1.00 0.00 C ATOM 1508 C GLN A 95 -4.954 -16.812 4.825 1.00 0.00 C ATOM 1509 O GLN A 95 -5.203 -16.264 5.904 1.00 0.00 O ATOM 1510 CB GLN A 95 -3.078 -15.130 4.335 1.00 0.00 C ATOM 1511 CG GLN A 95 -2.041 -14.546 3.353 1.00 0.00 C ATOM 1512 CD GLN A 95 -1.069 -13.559 3.994 1.00 0.00 C ATOM 1513 OE1 GLN A 95 -0.764 -13.577 5.184 1.00 0.00 O ATOM 1514 NE2 GLN A 95 -0.504 -12.675 3.211 1.00 0.00 N ATOM 0 H GLN A 95 -5.794 -14.938 3.285 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.534 -16.867 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.626 -14.305 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.546 -15.642 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.473 -15.364 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.567 -14.046 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.744 -12.644 2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.176 -12.017 3.592 1.00 0.00 H new ATOM 1523 N LEU A 96 -5.374 -18.049 4.529 1.00 0.00 N ATOM 1524 CA LEU A 96 -6.134 -18.911 5.486 1.00 0.00 C ATOM 1525 C LEU A 96 -5.277 -19.269 6.737 1.00 0.00 C ATOM 1526 O LEU A 96 -4.181 -19.824 6.615 1.00 0.00 O ATOM 1527 CB LEU A 96 -6.625 -20.142 4.681 1.00 0.00 C ATOM 1528 CG LEU A 96 -7.724 -21.013 5.338 1.00 0.00 C ATOM 1529 CD1 LEU A 96 -8.450 -21.827 4.243 1.00 0.00 C ATOM 1530 CD2 LEU A 96 -7.185 -22.005 6.375 1.00 0.00 C ATOM 0 H LEU A 96 -5.205 -18.493 3.626 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.997 -18.390 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.999 -19.792 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.765 -20.779 4.476 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.392 -20.323 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.225 -22.442 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.905 -21.145 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.733 -22.468 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.012 -22.580 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.477 -22.682 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.683 -21.459 7.174 1.00 0.00 H new ATOM 1542 N ALA A 97 -5.764 -18.878 7.932 1.00 0.00 N ATOM 1543 CA ALA A 97 -4.956 -18.822 9.184 1.00 0.00 C ATOM 1544 C ALA A 97 -3.691 -17.910 9.093 1.00 0.00 C ATOM 1545 O ALA A 97 -2.555 -18.389 9.057 1.00 0.00 O ATOM 1546 CB ALA A 97 -4.723 -20.242 9.710 1.00 0.00 C ATOM 0 H ALA A 97 -6.733 -18.589 8.065 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.533 -18.299 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.132 -20.199 10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.683 -20.714 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.188 -20.825 8.960 1.00 0.00 H new ATOM 1552 N LYS A 98 -3.934 -16.587 9.071 1.00 0.00 N ATOM 1553 CA LYS A 98 -3.027 -15.568 8.446 1.00 0.00 C ATOM 1554 C LYS A 98 -1.506 -15.664 8.741 1.00 0.00 C ATOM 1555 O LYS A 98 -1.104 -15.910 9.884 1.00 0.00 O ATOM 1556 CB LYS A 98 -3.641 -14.187 8.843 1.00 0.00 C ATOM 1557 CG LYS A 98 -3.278 -12.992 7.946 1.00 0.00 C ATOM 1558 CD LYS A 98 -1.995 -12.239 8.326 1.00 0.00 C ATOM 1559 CE LYS A 98 -1.610 -11.214 7.244 1.00 0.00 C ATOM 1560 NZ LYS A 98 -0.156 -10.907 7.309 1.00 0.00 N ATOM 0 H LYS A 98 -4.770 -16.176 9.487 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.005 -15.746 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.726 -14.287 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.330 -13.956 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.178 -13.348 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.109 -12.286 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.138 -11.729 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.180 -12.950 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.861 -11.606 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.187 -10.299 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.119 -10.350 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.045 -10.361 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.386 -11.795 7.327 1.00 0.00 H new ATOM 1574 N ALA A 99 -0.655 -15.460 7.716 1.00 0.00 N ATOM 1575 CA ALA A 99 0.820 -15.485 7.880 1.00 0.00 C ATOM 1576 C ALA A 99 1.375 -14.190 8.555 1.00 0.00 C ATOM 1577 O ALA A 99 1.538 -13.134 7.932 1.00 0.00 O ATOM 1578 CB ALA A 99 1.438 -15.749 6.501 1.00 0.00 C ATOM 0 H ALA A 99 -0.961 -15.275 6.761 1.00 0.00 H new ATOM 0 HA ALA A 99 1.100 -16.285 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.524 -15.773 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.083 -16.707 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.147 -14.955 5.814 1.00 0.00 H new ATOM 1584 N ALA A 100 1.585 -14.304 9.869 1.00 0.00 N ATOM 1585 CA ALA A 100 1.993 -13.194 10.760 1.00 0.00 C ATOM 1586 C ALA A 100 2.781 -13.740 12.013 1.00 0.00 C ATOM 1587 O ALA A 100 2.623 -14.920 12.353 1.00 0.00 O ATOM 1588 CB ALA A 100 0.699 -12.495 11.219 1.00 0.00 C ATOM 0 H ALA A 100 1.476 -15.189 10.363 1.00 0.00 H new ATOM 0 HA ALA A 100 2.654 -12.505 10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.949 -11.666 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.162 -12.116 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.070 -13.208 11.752 1.00 0.00 H new ATOM 1594 N PRO A 101 3.585 -12.937 12.764 1.00 0.00 N ATOM 1595 CA PRO A 101 4.274 -13.424 14.010 1.00 0.00 C ATOM 1596 C PRO A 101 3.326 -13.579 15.234 1.00 0.00 C ATOM 1597 O PRO A 101 3.252 -12.727 16.127 1.00 0.00 O ATOM 1598 CB PRO A 101 5.394 -12.364 14.174 1.00 0.00 C ATOM 1599 CG PRO A 101 4.798 -11.067 13.582 1.00 0.00 C ATOM 1600 CD PRO A 101 3.970 -11.563 12.385 1.00 0.00 C ATOM 0 HA PRO A 101 4.660 -14.441 13.938 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.665 -12.233 15.222 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.300 -12.660 13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.178 -10.543 14.309 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.579 -10.373 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.095 -10.935 12.217 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.553 -11.551 11.464 1.00 0.00 H new ATOM 1608 N LYS A 102 2.605 -14.711 15.250 1.00 0.00 N ATOM 1609 CA LYS A 102 1.514 -14.975 16.224 1.00 0.00 C ATOM 1610 C LYS A 102 2.078 -15.539 17.564 1.00 0.00 C ATOM 1611 O LYS A 102 2.261 -16.746 17.744 1.00 0.00 O ATOM 1612 CB LYS A 102 0.484 -15.943 15.570 1.00 0.00 C ATOM 1613 CG LYS A 102 -0.353 -15.312 14.435 1.00 0.00 C ATOM 1614 CD LYS A 102 -0.378 -16.110 13.123 1.00 0.00 C ATOM 1615 CE LYS A 102 -1.290 -17.338 13.108 1.00 0.00 C ATOM 1616 NZ LYS A 102 -1.199 -17.960 11.755 1.00 0.00 N ATOM 0 H LYS A 102 2.756 -15.475 14.591 1.00 0.00 H new ATOM 0 HA LYS A 102 1.010 -14.041 16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.017 -16.808 15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.192 -16.311 16.342 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.377 -15.188 14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.036 -14.315 14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.687 -15.442 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.638 -16.433 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.985 -18.049 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.319 -17.052 13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.028 -18.567 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.172 -17.214 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.333 -18.533 11.694 1.00 0.00 H new ATOM 1630 N GLN A 103 2.363 -14.622 18.496 1.00 0.00 N ATOM 1631 CA GLN A 103 3.165 -14.931 19.709 1.00 0.00 C ATOM 1632 C GLN A 103 2.244 -15.231 20.930 1.00 0.00 C ATOM 1633 O GLN A 103 1.960 -14.360 21.760 1.00 0.00 O ATOM 1634 CB GLN A 103 4.110 -13.725 19.960 1.00 0.00 C ATOM 1635 CG GLN A 103 5.260 -13.603 18.931 1.00 0.00 C ATOM 1636 CD GLN A 103 5.907 -12.226 18.922 1.00 0.00 C ATOM 1637 OE1 GLN A 103 6.796 -11.921 19.709 1.00 0.00 O ATOM 1638 NE2 GLN A 103 5.479 -11.348 18.045 1.00 0.00 N ATOM 0 H GLN A 103 2.053 -13.652 18.442 1.00 0.00 H new ATOM 0 HA GLN A 103 3.759 -15.833 19.562 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.523 -12.807 19.944 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.537 -13.813 20.959 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.019 -14.353 19.152 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.874 -13.824 17.936 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.739 -11.601 17.390 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.886 -10.413 18.019 1.00 0.00 H new ATOM 1647 N PHE A 104 1.807 -16.495 21.020 1.00 0.00 N ATOM 1648 CA PHE A 104 0.886 -16.976 22.085 1.00 0.00 C ATOM 1649 C PHE A 104 1.527 -18.075 22.982 1.00 0.00 C ATOM 1650 O PHE A 104 1.868 -17.802 24.138 1.00 0.00 O ATOM 1651 CB PHE A 104 -0.541 -17.244 21.547 1.00 0.00 C ATOM 1652 CG PHE A 104 -0.751 -18.321 20.476 1.00 0.00 C ATOM 1653 CD1 PHE A 104 -0.507 -18.040 19.122 1.00 0.00 C ATOM 1654 CD2 PHE A 104 -1.205 -19.604 20.823 1.00 0.00 C ATOM 1655 CE1 PHE A 104 -0.679 -19.022 18.146 1.00 0.00 C ATOM 1656 CE2 PHE A 104 -1.380 -20.587 19.846 1.00 0.00 C ATOM 1657 CZ PHE A 104 -1.115 -20.294 18.510 1.00 0.00 C ATOM 0 H PHE A 104 2.078 -17.223 20.359 1.00 0.00 H new ATOM 0 HA PHE A 104 0.727 -16.165 22.796 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.169 -17.503 22.399 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.921 -16.305 21.145 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -0.182 -17.052 18.833 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.421 -19.833 21.856 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.474 -18.796 17.110 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.720 -21.573 20.126 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.248 -21.055 17.755 1.00 0.00 H new ATOM 1667 N GLY A 105 1.702 -19.281 22.439 1.00 0.00 N ATOM 1668 CA GLY A 105 2.140 -20.467 23.201 1.00 0.00 C ATOM 1669 C GLY A 105 3.658 -20.667 23.244 1.00 0.00 C ATOM 1670 O GLY A 105 4.250 -21.193 22.300 1.00 0.00 O ATOM 0 H GLY A 105 1.544 -19.471 21.449 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.768 -20.385 24.222 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.681 -21.354 22.764 1.00 0.00 H new ATOM 1674 N ARG A 106 4.273 -20.279 24.367 1.00 0.00 N ATOM 1675 CA ARG A 106 5.740 -20.413 24.568 1.00 0.00 C ATOM 1676 C ARG A 106 6.099 -21.864 25.048 1.00 0.00 C ATOM 1677 O ARG A 106 6.160 -22.151 26.248 1.00 0.00 O ATOM 1678 CB ARG A 106 6.249 -19.349 25.577 1.00 0.00 C ATOM 1679 CG ARG A 106 6.382 -17.898 25.070 1.00 0.00 C ATOM 1680 CD ARG A 106 5.054 -17.159 24.887 1.00 0.00 C ATOM 1681 NE ARG A 106 5.300 -15.736 24.546 1.00 0.00 N ATOM 1682 CZ ARG A 106 4.348 -14.841 24.301 1.00 0.00 C ATOM 1683 NH1 ARG A 106 3.067 -15.099 24.386 1.00 0.00 N ATOM 1684 NH2 ARG A 106 4.702 -13.641 23.949 1.00 0.00 N ATOM 0 H ARG A 106 3.783 -19.866 25.161 1.00 0.00 H new ATOM 0 HA ARG A 106 6.240 -20.240 23.615 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.574 -19.346 26.433 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.225 -19.670 25.941 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.000 -17.338 25.772 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.911 -17.908 24.117 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.471 -17.634 24.098 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.464 -17.224 25.801 1.00 0.00 H new ATOM 0 HE ARG A 106 6.269 -15.422 24.496 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.751 -16.031 24.653 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.385 -14.368 24.185 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.691 -13.405 23.866 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.991 -12.936 23.755 1.00 0.00 H new ATOM 1698 N ASN A 107 6.331 -22.767 24.083 1.00 0.00 N ATOM 1699 CA ASN A 107 6.544 -24.211 24.374 1.00 0.00 C ATOM 1700 C ASN A 107 8.032 -24.518 24.721 1.00 0.00 C ATOM 1701 O ASN A 107 8.834 -24.883 23.855 1.00 0.00 O ATOM 1702 CB ASN A 107 6.003 -24.989 23.147 1.00 0.00 C ATOM 1703 CG ASN A 107 5.875 -26.492 23.356 1.00 0.00 C ATOM 1704 OD1 ASN A 107 4.889 -26.986 23.889 1.00 0.00 O ATOM 1705 ND2 ASN A 107 6.852 -27.268 22.954 1.00 0.00 N ATOM 0 H ASN A 107 6.378 -22.532 23.091 1.00 0.00 H new ATOM 0 HA ASN A 107 6.004 -24.528 25.266 1.00 0.00 H new ATOM 0 HB2 ASN A 107 5.025 -24.588 22.881 1.00 0.00 H new ATOM 0 HB3 ASN A 107 6.663 -24.808 22.299 1.00 0.00 H new ATOM 0 HD21 ASN A 107 6.789 -28.277 23.086 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.676 -26.862 22.509 1.00 0.00 H new ATOM 1712 N LEU A 108 8.375 -24.404 26.013 1.00 0.00 N ATOM 1713 CA LEU A 108 9.743 -24.698 26.513 1.00 0.00 C ATOM 1714 C LEU A 108 9.915 -26.217 26.804 1.00 0.00 C ATOM 1715 O LEU A 108 9.686 -26.693 27.920 1.00 0.00 O ATOM 1716 CB LEU A 108 9.990 -23.787 27.744 1.00 0.00 C ATOM 1717 CG LEU A 108 11.418 -23.822 28.342 1.00 0.00 C ATOM 1718 CD1 LEU A 108 12.473 -23.235 27.399 1.00 0.00 C ATOM 1719 CD2 LEU A 108 11.435 -23.033 29.665 1.00 0.00 C ATOM 0 H LEU A 108 7.725 -24.109 26.741 1.00 0.00 H new ATOM 0 HA LEU A 108 10.501 -24.475 25.762 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.761 -22.759 27.462 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.284 -24.067 28.526 1.00 0.00 H new ATOM 0 HG LEU A 108 11.672 -24.869 28.505 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.453 -23.287 27.873 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.488 -23.805 26.470 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.229 -22.195 27.183 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.439 -23.055 30.089 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.144 -22.000 29.476 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.734 -23.485 30.367 1.00 0.00 H new ATOM 1731 N ALA A 109 10.343 -26.966 25.777 1.00 0.00 N ATOM 1732 CA ALA A 109 10.568 -28.426 25.892 1.00 0.00 C ATOM 1733 C ALA A 109 11.912 -28.767 26.583 1.00 0.00 C ATOM 1734 O ALA A 109 13.001 -28.720 26.004 1.00 0.00 O ATOM 1735 CB ALA A 109 10.434 -29.037 24.500 1.00 0.00 C ATOM 0 H ALA A 109 10.543 -26.588 24.851 1.00 0.00 H new ATOM 0 HA ALA A 109 9.814 -28.864 26.545 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.596 -30.113 24.558 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.435 -28.841 24.111 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.176 -28.594 23.835 1.00 0.00 H new ATOM 1741 N ARG A 110 11.764 -29.061 27.873 1.00 0.00 N ATOM 1742 CA ARG A 110 12.896 -29.214 28.818 1.00 0.00 C ATOM 1743 C ARG A 110 12.548 -30.302 29.874 1.00 0.00 C ATOM 1744 O ARG A 110 11.647 -30.114 30.697 1.00 0.00 O ATOM 1745 CB ARG A 110 13.175 -27.823 29.453 1.00 0.00 C ATOM 1746 CG ARG A 110 14.426 -27.777 30.354 1.00 0.00 C ATOM 1747 CD ARG A 110 14.739 -26.373 30.900 1.00 0.00 C ATOM 1748 NE ARG A 110 15.322 -25.509 29.841 1.00 0.00 N ATOM 1749 CZ ARG A 110 15.689 -24.241 29.998 1.00 0.00 C ATOM 1750 NH1 ARG A 110 15.555 -23.579 31.120 1.00 0.00 N ATOM 1751 NH2 ARG A 110 16.212 -23.622 28.981 1.00 0.00 N ATOM 0 H ARG A 110 10.852 -29.203 28.307 1.00 0.00 H new ATOM 0 HA ARG A 110 13.802 -29.549 28.313 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.289 -27.089 28.656 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.307 -27.524 30.041 1.00 0.00 H new ATOM 0 HG2 ARG A 110 14.286 -28.461 31.191 1.00 0.00 H new ATOM 0 HG3 ARG A 110 15.285 -28.138 29.788 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.827 -25.917 31.286 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.435 -26.450 31.736 1.00 0.00 H new ATOM 0 HE ARG A 110 15.451 -25.923 28.918 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.149 -24.036 31.937 1.00 0.00 H new ATOM 0 HH12 ARG A 110 15.856 -22.606 31.177 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.331 -24.110 28.093 1.00 0.00 H new ATOM 0 HH22 ARG A 110 16.503 -22.649 29.071 1.00 0.00 H new ATOM 1765 N ASP A 111 13.292 -31.416 29.863 1.00 0.00 N ATOM 1766 CA ASP A 111 13.097 -32.523 30.837 1.00 0.00 C ATOM 1767 C ASP A 111 13.751 -32.241 32.234 1.00 0.00 C ATOM 1768 O ASP A 111 14.536 -31.308 32.433 1.00 0.00 O ATOM 1769 CB ASP A 111 13.642 -33.803 30.156 1.00 0.00 C ATOM 1770 CG ASP A 111 13.134 -35.146 30.671 1.00 0.00 C ATOM 1771 OD1 ASP A 111 12.411 -35.214 31.691 1.00 0.00 O ATOM 1772 OD2 ASP A 111 13.447 -36.179 30.043 1.00 0.00 O ATOM 0 H ASP A 111 14.040 -31.584 29.191 1.00 0.00 H new ATOM 0 HA ASP A 111 12.040 -32.638 31.076 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.412 -33.742 29.092 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.728 -33.797 30.248 1.00 0.00 H new ATOM 1777 N LYS A 112 13.394 -33.101 33.193 1.00 0.00 N ATOM 1778 CA LYS A 112 14.006 -33.110 34.550 1.00 0.00 C ATOM 1779 C LYS A 112 14.397 -34.565 34.955 1.00 0.00 C ATOM 1780 O LYS A 112 13.773 -35.191 35.817 1.00 0.00 O ATOM 1781 CB LYS A 112 13.010 -32.410 35.510 1.00 0.00 C ATOM 1782 CG LYS A 112 13.574 -32.118 36.916 1.00 0.00 C ATOM 1783 CD LYS A 112 12.515 -31.431 37.804 1.00 0.00 C ATOM 1784 CE LYS A 112 13.051 -31.153 39.218 1.00 0.00 C ATOM 1785 NZ LYS A 112 11.988 -30.505 40.037 1.00 0.00 N ATOM 0 H LYS A 112 12.676 -33.814 33.063 1.00 0.00 H new ATOM 0 HA LYS A 112 14.944 -32.555 34.588 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.689 -31.471 35.059 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.122 -33.035 35.611 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.897 -33.049 37.383 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.454 -31.480 36.834 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.205 -30.494 37.342 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.629 -32.063 37.868 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.369 -32.084 39.687 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.928 -30.507 39.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.352 -30.318 40.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.705 -29.608 39.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.164 -31.136 40.098 1.00 0.00 H new ATOM 1799 N LYS A 113 15.451 -35.088 34.312 1.00 0.00 N ATOM 1800 CA LYS A 113 15.932 -36.477 34.524 1.00 0.00 C ATOM 1801 C LYS A 113 17.484 -36.535 34.266 1.00 0.00 C ATOM 1802 O LYS A 113 17.993 -35.940 33.308 1.00 0.00 O ATOM 1803 CB LYS A 113 15.260 -37.483 33.549 1.00 0.00 C ATOM 1804 CG LYS A 113 13.744 -37.691 33.691 1.00 0.00 C ATOM 1805 CD LYS A 113 13.250 -38.776 32.709 1.00 0.00 C ATOM 1806 CE LYS A 113 11.737 -38.733 32.438 1.00 0.00 C ATOM 1807 NZ LYS A 113 11.429 -37.683 31.425 1.00 0.00 N ATOM 0 H LYS A 113 16.000 -34.567 33.628 1.00 0.00 H new ATOM 0 HA LYS A 113 15.680 -36.752 35.548 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.462 -37.152 32.530 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.747 -38.450 33.673 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.506 -37.983 34.714 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.223 -36.753 33.498 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.781 -38.665 31.764 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.510 -39.757 33.107 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.395 -39.705 32.082 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.199 -38.526 33.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.459 -37.814 31.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.515 -36.743 31.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.098 -37.758 30.632 1.00 0.00 H new ATOM 1821 N LYS A 114 18.216 -37.325 35.069 1.00 0.00 N ATOM 1822 CA LYS A 114 19.683 -37.541 34.866 1.00 0.00 C ATOM 1823 C LYS A 114 19.927 -38.572 33.726 1.00 0.00 C ATOM 1824 O LYS A 114 20.055 -39.779 33.956 1.00 0.00 O ATOM 1825 CB LYS A 114 20.281 -37.932 36.237 1.00 0.00 C ATOM 1826 CG LYS A 114 21.811 -37.827 36.409 1.00 0.00 C ATOM 1827 CD LYS A 114 22.645 -39.058 36.017 1.00 0.00 C ATOM 1828 CE LYS A 114 23.205 -39.061 34.583 1.00 0.00 C ATOM 1829 NZ LYS A 114 22.795 -40.297 33.859 1.00 0.00 N ATOM 0 H LYS A 114 17.829 -37.829 35.867 1.00 0.00 H new ATOM 0 HA LYS A 114 20.193 -36.640 34.527 1.00 0.00 H new ATOM 0 HB2 LYS A 114 19.814 -37.306 36.997 1.00 0.00 H new ATOM 0 HB3 LYS A 114 19.990 -38.961 36.449 1.00 0.00 H new ATOM 0 HG2 LYS A 114 22.161 -36.980 35.819 1.00 0.00 H new ATOM 0 HG3 LYS A 114 22.019 -37.596 37.454 1.00 0.00 H new ATOM 0 HD2 LYS A 114 23.480 -39.144 36.713 1.00 0.00 H new ATOM 0 HD3 LYS A 114 22.028 -39.947 36.148 1.00 0.00 H new ATOM 0 HE2 LYS A 114 22.846 -38.183 34.046 1.00 0.00 H new ATOM 0 HE3 LYS A 114 24.293 -38.995 34.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 22.957 -40.172 32.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 23.356 -41.103 34.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 21.786 -40.480 34.029 1.00 0.00 H new ATOM 1843 N GLN A 115 19.997 -38.051 32.492 1.00 0.00 N ATOM 1844 CA GLN A 115 20.082 -38.883 31.261 1.00 0.00 C ATOM 1845 C GLN A 115 21.533 -38.857 30.692 1.00 0.00 C ATOM 1846 O GLN A 115 22.365 -39.662 31.126 1.00 0.00 O ATOM 1847 CB GLN A 115 18.948 -38.474 30.276 1.00 0.00 C ATOM 1848 CG GLN A 115 17.539 -38.857 30.783 1.00 0.00 C ATOM 1849 CD GLN A 115 16.360 -38.345 29.968 1.00 0.00 C ATOM 1850 OE1 GLN A 115 15.541 -39.112 29.475 1.00 0.00 O ATOM 1851 NE2 GLN A 115 16.162 -37.048 29.891 1.00 0.00 N ATOM 0 H GLN A 115 19.997 -37.048 32.309 1.00 0.00 H new ATOM 0 HA GLN A 115 19.900 -39.936 31.475 1.00 0.00 H new ATOM 0 HB2 GLN A 115 18.988 -37.397 30.111 1.00 0.00 H new ATOM 0 HB3 GLN A 115 19.123 -38.951 29.311 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.476 -39.944 30.827 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.433 -38.490 31.804 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.839 -36.404 30.299 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.331 -36.686 29.423 1.00 0.00 H new ATOM 1860 N ARG A 116 21.846 -37.930 29.780 1.00 0.00 N ATOM 1861 CA ARG A 116 23.202 -37.790 29.174 1.00 0.00 C ATOM 1862 C ARG A 116 23.981 -36.675 29.931 1.00 0.00 C ATOM 1863 O ARG A 116 24.008 -35.513 29.519 1.00 0.00 O ATOM 1864 CB ARG A 116 23.001 -37.518 27.664 1.00 0.00 C ATOM 1865 CG ARG A 116 24.131 -37.957 26.717 1.00 0.00 C ATOM 1866 CD ARG A 116 25.428 -37.138 26.735 1.00 0.00 C ATOM 1867 NE ARG A 116 26.235 -37.580 25.564 1.00 0.00 N ATOM 1868 CZ ARG A 116 27.225 -36.895 25.003 1.00 0.00 C ATOM 1869 NH1 ARG A 116 27.809 -35.858 25.541 1.00 0.00 N ATOM 1870 NH2 ARG A 116 27.653 -37.288 23.839 1.00 0.00 N ATOM 0 H ARG A 116 21.173 -37.247 29.431 1.00 0.00 H new ATOM 0 HA ARG A 116 23.809 -38.690 29.268 1.00 0.00 H new ATOM 0 HB2 ARG A 116 22.084 -38.016 27.350 1.00 0.00 H new ATOM 0 HB3 ARG A 116 22.845 -36.448 27.531 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.383 -38.991 26.951 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.740 -37.946 25.699 1.00 0.00 H new ATOM 0 HD2 ARG A 116 25.212 -36.071 26.675 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.974 -37.300 27.664 1.00 0.00 H new ATOM 0 HE ARG A 116 26.008 -38.487 25.158 1.00 0.00 H new ATOM 0 HH11 ARG A 116 27.510 -35.522 26.456 1.00 0.00 H new ATOM 0 HH12 ARG A 116 28.564 -35.384 25.046 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.230 -38.098 23.387 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.412 -36.786 23.378 1.00 0.00 H new ATOM 1884 N GLY A 117 24.567 -37.063 31.075 1.00 0.00 N ATOM 1885 CA GLY A 117 25.216 -36.110 32.013 1.00 0.00 C ATOM 1886 C GLY A 117 26.438 -35.323 31.508 1.00 0.00 C ATOM 1887 O GLY A 117 26.415 -34.092 31.509 1.00 0.00 O ATOM 0 H GLY A 117 24.609 -38.035 31.381 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.463 -35.390 32.332 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.520 -36.667 32.899 1.00 0.00 H new ATOM 1891 N ARG A 118 27.479 -36.059 31.109 1.00 0.00 N ATOM 1892 CA ARG A 118 28.613 -35.490 30.334 1.00 0.00 C ATOM 1893 C ARG A 118 28.438 -35.961 28.855 1.00 0.00 C ATOM 1894 O ARG A 118 29.045 -36.971 28.416 1.00 0.00 O ATOM 1895 CB ARG A 118 29.920 -35.919 31.031 1.00 0.00 C ATOM 1896 CG ARG A 118 31.207 -35.123 30.723 1.00 0.00 C ATOM 1897 CD ARG A 118 31.691 -34.985 29.272 1.00 0.00 C ATOM 1898 NE ARG A 118 31.601 -36.257 28.518 1.00 0.00 N ATOM 1899 CZ ARG A 118 32.546 -37.167 28.375 1.00 0.00 C ATOM 1900 NH1 ARG A 118 33.808 -36.960 28.649 1.00 0.00 N ATOM 1901 NH2 ARG A 118 32.182 -38.331 27.930 1.00 0.00 N ATOM 1902 OXT ARG A 118 27.683 -35.304 28.105 1.00 0.00 O ATOM 0 H ARG A 118 27.571 -37.056 31.305 1.00 0.00 H new ATOM 0 HA ARG A 118 28.644 -34.401 30.304 1.00 0.00 H new ATOM 0 HB2 ARG A 118 29.752 -35.877 32.107 1.00 0.00 H new ATOM 0 HB3 ARG A 118 30.105 -36.963 30.777 1.00 0.00 H new ATOM 0 HG2 ARG A 118 31.068 -34.116 31.117 1.00 0.00 H new ATOM 0 HG3 ARG A 118 32.016 -35.580 31.293 1.00 0.00 H new ATOM 0 HD2 ARG A 118 31.097 -34.224 28.766 1.00 0.00 H new ATOM 0 HD3 ARG A 118 32.724 -34.637 29.269 1.00 0.00 H new ATOM 0 HE ARG A 118 30.711 -36.451 28.059 1.00 0.00 H new ATOM 0 HH11 ARG A 118 34.112 -36.050 28.996 1.00 0.00 H new ATOM 0 HH12 ARG A 118 34.488 -37.708 28.516 1.00 0.00 H new ATOM 0 HH21 ARG A 118 31.202 -38.509 27.708 1.00 0.00 H new ATOM 0 HH22 ARG A 118 32.876 -39.068 27.802 1.00 0.00 H new TER 1916 ARG A 118