USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= 0.706 K(o=1.3,f=-1.3) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.621 K(o=1.3,f=-7.4!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.03) USER MOD Set 2.2: A 49 GLN : amide:sc= 1.1 K(o=2.1,f=0.44) USER MOD Set 3.1: A 44 THR OG1 : rot -88:sc= 2.06 USER MOD Set 3.2: B 149 LYS NZ :NH3+ -160:sc= 2.05 (180deg=0.0475) USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-0.187) USER MOD Single : A 1 MET N :NH3+ 163:sc= 2.26 (180deg=1.58) USER MOD Single : A 2 GLN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 3 THR OG1 : rot 139:sc= 1.49 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 172:sc= 1.21 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.735 (180deg=-0.188!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 52:sc= 0.828 USER MOD Single : A 26 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.042) USER MOD Single : A 32 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 33 TYR OH : rot 146:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 35 TYR OH : rot -156:sc= 1.22 USER MOD Single : A 50 GLN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= 0.986 (180deg=-0.843!) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 0.377 (180deg=-0.425) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.08) USER MOD Single : A 82 ASN : amide:sc= 0.033 X(o=0.033,f=0) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.715 -16.259 -0.568 1.00 1.00 N ATOM 2 CA MET A 1 13.883 -15.054 -0.759 1.00 1.00 C ATOM 3 C MET A 1 14.592 -13.860 -0.138 1.00 1.00 C ATOM 4 O MET A 1 14.854 -13.866 1.066 1.00 1.00 O ATOM 5 CB MET A 1 12.465 -15.251 -0.194 1.00 1.00 C ATOM 6 CG MET A 1 11.613 -13.968 -0.276 1.00 1.00 C ATOM 7 SD MET A 1 9.849 -14.213 -0.612 1.00 1.00 S ATOM 8 CE MET A 1 10.000 -14.708 -2.353 1.00 1.00 C ATOM 0 H1 MET A 1 14.135 -17.109 -0.720 1.00 1.00 H new ATOM 0 H2 MET A 1 15.501 -16.250 -1.249 1.00 1.00 H new ATOM 0 H3 MET A 1 15.096 -16.268 0.400 1.00 1.00 H new ATOM 0 HA MET A 1 13.756 -14.867 -1.825 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.966 -16.050 -0.743 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.533 -15.572 0.845 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.713 -13.427 0.665 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.027 -13.329 -1.056 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.286 -14.145 -2.955 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.012 -14.503 -2.703 1.00 1.00 H new ATOM 0 HE3 MET A 1 9.793 -15.774 -2.447 1.00 1.00 H new ATOM 20 N GLN A 2 14.910 -12.841 -0.944 1.00 1.00 N ATOM 21 CA GLN A 2 15.693 -11.649 -0.537 1.00 1.00 C ATOM 22 C GLN A 2 14.866 -10.357 -0.701 1.00 1.00 C ATOM 23 O GLN A 2 14.466 -10.011 -1.804 1.00 1.00 O ATOM 24 CB GLN A 2 17.045 -11.595 -1.280 1.00 1.00 C ATOM 25 CG GLN A 2 18.177 -10.982 -0.433 1.00 1.00 C ATOM 26 CD GLN A 2 17.925 -9.514 -0.068 1.00 1.00 C ATOM 27 OE1 GLN A 2 17.574 -8.684 -0.890 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.048 -9.115 1.173 1.00 1.00 N ATOM 0 H GLN A 2 14.627 -12.813 -1.924 1.00 1.00 H new ATOM 0 HA GLN A 2 15.925 -11.734 0.525 1.00 1.00 H new ATOM 0 HB2 GLN A 2 17.329 -12.604 -1.579 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.927 -11.013 -2.194 1.00 1.00 H new ATOM 0 HG2 GLN A 2 18.294 -11.563 0.482 1.00 1.00 H new ATOM 0 HG3 GLN A 2 19.116 -11.058 -0.982 1.00 1.00 H new ATOM 0 HE21 GLN A 2 18.339 -9.775 1.894 1.00 1.00 H new ATOM 0 HE22 GLN A 2 17.853 -8.144 1.418 1.00 1.00 H new ATOM 37 N THR A 3 14.571 -9.655 0.388 1.00 1.00 N ATOM 38 CA THR A 3 13.616 -8.517 0.449 1.00 1.00 C ATOM 39 C THR A 3 14.292 -7.199 0.848 1.00 1.00 C ATOM 40 O THR A 3 14.757 -7.064 1.980 1.00 1.00 O ATOM 41 CB THR A 3 12.432 -8.844 1.383 1.00 1.00 C ATOM 42 OG1 THR A 3 11.757 -9.981 0.887 1.00 1.00 O ATOM 43 CG2 THR A 3 11.353 -7.760 1.469 1.00 1.00 C ATOM 0 H THR A 3 14.997 -9.857 1.292 1.00 1.00 H new ATOM 0 HA THR A 3 13.230 -8.372 -0.560 1.00 1.00 H new ATOM 0 HB THR A 3 12.885 -8.969 2.366 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.516 -10.569 1.633 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.565 -8.084 2.149 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.795 -6.835 1.840 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.930 -7.589 0.479 1.00 1.00 H new ATOM 51 N VAL A 4 14.296 -6.201 -0.048 1.00 1.00 N ATOM 52 CA VAL A 4 15.014 -4.902 0.081 1.00 1.00 C ATOM 53 C VAL A 4 14.030 -3.753 0.336 1.00 1.00 C ATOM 54 O VAL A 4 13.029 -3.615 -0.368 1.00 1.00 O ATOM 55 CB VAL A 4 15.912 -4.574 -1.139 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.795 -3.339 -0.868 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.822 -5.747 -1.533 1.00 1.00 C ATOM 0 H VAL A 4 13.779 -6.270 -0.925 1.00 1.00 H new ATOM 0 HA VAL A 4 15.675 -5.010 0.941 1.00 1.00 H new ATOM 0 HB VAL A 4 15.229 -4.370 -1.963 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.413 -3.135 -1.742 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.161 -2.477 -0.662 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.436 -3.532 -0.008 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.429 -5.464 -2.393 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.473 -5.999 -0.696 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.210 -6.612 -1.790 1.00 1.00 H new ATOM 67 N ILE A 5 14.323 -2.914 1.336 1.00 1.00 N ATOM 68 CA ILE A 5 13.442 -1.876 1.920 1.00 1.00 C ATOM 69 C ILE A 5 14.070 -0.468 1.843 1.00 1.00 C ATOM 70 O ILE A 5 15.105 -0.207 2.457 1.00 1.00 O ATOM 71 CB ILE A 5 13.098 -2.260 3.392 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.529 -3.704 3.593 1.00 1.00 C ATOM 73 CG2 ILE A 5 12.123 -1.234 4.012 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.199 -4.455 4.750 1.00 1.00 C ATOM 0 H ILE A 5 15.235 -2.937 1.792 1.00 1.00 H new ATOM 0 HA ILE A 5 12.525 -1.835 1.333 1.00 1.00 H new ATOM 0 HB ILE A 5 14.059 -2.245 3.906 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.457 -3.644 3.779 1.00 1.00 H new ATOM 0 HG13 ILE A 5 12.662 -4.273 2.673 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.897 -1.522 5.039 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.582 -0.245 4.005 1.00 1.00 H new ATOM 0 HG23 ILE A 5 11.201 -1.210 3.430 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.762 -5.450 4.840 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.268 -4.544 4.555 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.044 -3.906 5.679 1.00 1.00 H new ATOM 86 N PHE A 6 13.410 0.458 1.136 1.00 1.00 N ATOM 87 CA PHE A 6 13.854 1.842 0.878 1.00 1.00 C ATOM 88 C PHE A 6 13.198 2.886 1.827 1.00 1.00 C ATOM 89 O PHE A 6 12.111 3.396 1.564 1.00 1.00 O ATOM 90 CB PHE A 6 13.665 2.163 -0.627 1.00 1.00 C ATOM 91 CG PHE A 6 14.662 1.472 -1.553 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.445 0.139 -1.976 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.820 2.158 -1.992 1.00 1.00 C ATOM 94 CE1 PHE A 6 15.370 -0.494 -2.835 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.742 1.531 -2.855 1.00 1.00 C ATOM 96 CZ PHE A 6 16.514 0.206 -3.280 1.00 1.00 C ATOM 0 H PHE A 6 12.507 0.257 0.706 1.00 1.00 H new ATOM 0 HA PHE A 6 14.916 1.917 1.112 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.656 1.876 -0.922 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.745 3.241 -0.768 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.569 -0.396 -1.641 1.00 1.00 H new ATOM 0 HD2 PHE A 6 15.999 3.171 -1.663 1.00 1.00 H new ATOM 0 HE1 PHE A 6 15.203 -1.513 -3.152 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.620 2.064 -3.189 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.215 -0.275 -3.947 1.00 1.00 H new ATOM 106 N GLY A 7 13.887 3.225 2.931 1.00 1.00 N ATOM 107 CA GLY A 7 13.595 4.329 3.877 1.00 1.00 C ATOM 108 C GLY A 7 12.524 4.110 4.969 1.00 1.00 C ATOM 109 O GLY A 7 11.429 4.659 4.844 1.00 1.00 O ATOM 0 H GLY A 7 14.718 2.704 3.209 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.528 4.590 4.377 1.00 1.00 H new ATOM 0 HA3 GLY A 7 13.295 5.196 3.289 1.00 1.00 H new ATOM 113 N ARG A 8 12.845 3.388 6.064 1.00 1.00 N ATOM 114 CA ARG A 8 12.001 3.147 7.267 1.00 1.00 C ATOM 115 C ARG A 8 11.753 4.404 8.131 1.00 1.00 C ATOM 116 O ARG A 8 10.629 4.652 8.559 1.00 1.00 O ATOM 117 CB ARG A 8 12.631 2.014 8.117 1.00 1.00 C ATOM 118 CG ARG A 8 11.693 1.449 9.217 1.00 1.00 C ATOM 119 CD ARG A 8 12.416 1.142 10.547 1.00 1.00 C ATOM 120 NE ARG A 8 11.591 0.349 11.501 1.00 1.00 N ATOM 121 CZ ARG A 8 11.719 0.288 12.809 1.00 1.00 C ATOM 122 NH1 ARG A 8 12.508 1.032 13.485 1.00 1.00 N ATOM 123 NH2 ARG A 8 11.057 -0.556 13.509 1.00 1.00 N ATOM 0 H ARG A 8 13.752 2.928 6.142 1.00 1.00 H new ATOM 0 HA ARG A 8 11.017 2.851 6.904 1.00 1.00 H new ATOM 0 HB2 ARG A 8 12.928 1.200 7.455 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.539 2.390 8.588 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.894 2.166 9.405 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.223 0.537 8.849 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.336 0.597 10.334 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.704 2.081 11.020 1.00 1.00 H new ATOM 0 HE ARG A 8 10.842 -0.210 11.094 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.087 1.725 13.011 1.00 1.00 H new ATOM 0 HH12 ARG A 8 12.559 0.933 14.499 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.412 -1.202 13.054 1.00 1.00 H new ATOM 0 HH22 ARG A 8 11.175 -0.582 14.522 1.00 1.00 H new ATOM 137 N SER A 9 12.810 5.156 8.462 1.00 1.00 N ATOM 138 CA SER A 9 12.774 6.385 9.289 1.00 1.00 C ATOM 139 C SER A 9 11.907 7.502 8.648 1.00 1.00 C ATOM 140 O SER A 9 11.873 7.660 7.422 1.00 1.00 O ATOM 141 CB SER A 9 14.210 6.883 9.521 1.00 1.00 C ATOM 142 OG SER A 9 14.245 8.076 10.283 1.00 1.00 O ATOM 0 H SER A 9 13.754 4.923 8.153 1.00 1.00 H new ATOM 0 HA SER A 9 12.309 6.136 10.243 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.783 6.110 10.033 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.694 7.054 8.559 1.00 1.00 H new ATOM 0 HG SER A 9 15.175 8.357 10.409 1.00 1.00 H new ATOM 148 N GLY A 10 11.186 8.270 9.476 1.00 1.00 N ATOM 149 CA GLY A 10 10.311 9.404 9.132 1.00 1.00 C ATOM 150 C GLY A 10 8.956 9.139 8.447 1.00 1.00 C ATOM 151 O GLY A 10 8.201 10.097 8.312 1.00 1.00 O ATOM 0 H GLY A 10 11.199 8.103 10.482 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.110 9.952 10.053 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.880 10.070 8.483 1.00 1.00 H new ATOM 155 N CYS A 11 8.614 7.906 8.028 1.00 1.00 N ATOM 156 CA CYS A 11 7.291 7.506 7.508 1.00 1.00 C ATOM 157 C CYS A 11 6.728 6.161 8.067 1.00 1.00 C ATOM 158 O CYS A 11 7.250 5.094 7.732 1.00 1.00 O ATOM 159 CB CYS A 11 7.267 7.602 5.974 1.00 1.00 C ATOM 160 SG CYS A 11 8.651 6.790 5.080 1.00 1.00 S ATOM 0 H CYS A 11 9.277 7.131 8.043 1.00 1.00 H new ATOM 0 HA CYS A 11 6.578 8.230 7.903 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.331 7.169 5.620 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.255 8.656 5.698 1.00 1.00 H new ATOM 165 N PRO A 12 5.622 6.161 8.856 1.00 1.00 N ATOM 166 CA PRO A 12 5.104 4.991 9.603 1.00 1.00 C ATOM 167 C PRO A 12 4.657 3.791 8.742 1.00 1.00 C ATOM 168 O PRO A 12 4.898 2.646 9.127 1.00 1.00 O ATOM 169 CB PRO A 12 3.950 5.525 10.469 1.00 1.00 C ATOM 170 CG PRO A 12 3.474 6.773 9.727 1.00 1.00 C ATOM 171 CD PRO A 12 4.761 7.315 9.103 1.00 1.00 C ATOM 0 HA PRO A 12 5.918 4.568 10.192 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.151 4.790 10.566 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.286 5.765 11.478 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.729 6.532 8.969 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.018 7.496 10.404 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.548 7.846 8.175 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.247 8.025 9.772 1.00 1.00 H new ATOM 179 N TYR A 13 4.114 4.024 7.536 1.00 1.00 N ATOM 180 CA TYR A 13 3.759 2.954 6.567 1.00 1.00 C ATOM 181 C TYR A 13 4.996 2.115 6.155 1.00 1.00 C ATOM 182 O TYR A 13 4.918 0.898 5.977 1.00 1.00 O ATOM 183 CB TYR A 13 3.061 3.564 5.336 1.00 1.00 C ATOM 184 CG TYR A 13 1.585 3.949 5.497 1.00 1.00 C ATOM 185 CD1 TYR A 13 1.191 5.011 6.351 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.591 3.269 4.746 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.173 5.373 6.470 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.768 3.642 4.850 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.155 4.690 5.715 1.00 1.00 C ATOM 190 OH TYR A 13 -2.464 5.046 5.809 1.00 1.00 O ATOM 0 H TYR A 13 3.905 4.963 7.196 1.00 1.00 H new ATOM 0 HA TYR A 13 3.065 2.271 7.058 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.614 4.455 5.039 1.00 1.00 H new ATOM 0 HB3 TYR A 13 3.139 2.852 4.514 1.00 1.00 H new ATOM 0 HD1 TYR A 13 1.938 5.549 6.916 1.00 1.00 H new ATOM 0 HD2 TYR A 13 0.876 2.460 4.090 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.464 6.171 7.137 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.514 3.124 4.266 1.00 1.00 H new ATOM 0 HH TYR A 13 -3.001 4.474 5.222 1.00 1.00 H new ATOM 200 N SER A 14 6.160 2.776 6.023 1.00 1.00 N ATOM 201 CA SER A 14 7.502 2.186 5.826 1.00 1.00 C ATOM 202 C SER A 14 7.997 1.351 7.031 1.00 1.00 C ATOM 203 O SER A 14 8.581 0.279 6.845 1.00 1.00 O ATOM 204 CB SER A 14 8.524 3.286 5.521 1.00 1.00 C ATOM 205 OG SER A 14 9.582 2.748 4.771 1.00 1.00 O ATOM 0 H SER A 14 6.194 3.795 6.052 1.00 1.00 H new ATOM 0 HA SER A 14 7.408 1.503 4.982 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.048 4.096 4.969 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.903 3.713 6.450 1.00 1.00 H new ATOM 0 HG SER A 14 10.170 3.472 4.469 1.00 1.00 H new ATOM 211 N VAL A 15 7.723 1.794 8.278 1.00 1.00 N ATOM 212 CA VAL A 15 7.990 1.030 9.533 1.00 1.00 C ATOM 213 C VAL A 15 7.239 -0.306 9.563 1.00 1.00 C ATOM 214 O VAL A 15 7.912 -1.337 9.655 1.00 1.00 O ATOM 215 CB VAL A 15 7.688 1.807 10.842 1.00 1.00 C ATOM 216 CG1 VAL A 15 7.982 0.953 12.092 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.522 3.086 10.948 1.00 1.00 C ATOM 0 H VAL A 15 7.303 2.707 8.452 1.00 1.00 H new ATOM 0 HA VAL A 15 9.065 0.855 9.505 1.00 1.00 H new ATOM 0 HB VAL A 15 6.628 2.056 10.801 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.758 1.531 12.989 1.00 1.00 H new ATOM 0 HG12 VAL A 15 7.362 0.057 12.074 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.034 0.667 12.098 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.281 3.601 11.878 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.582 2.831 10.938 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.298 3.738 10.104 1.00 1.00 H new ATOM 227 N ARG A 16 5.898 -0.315 9.374 1.00 1.00 N ATOM 228 CA ARG A 16 5.091 -1.567 9.275 1.00 1.00 C ATOM 229 C ARG A 16 5.642 -2.492 8.169 1.00 1.00 C ATOM 230 O ARG A 16 5.887 -3.668 8.426 1.00 1.00 O ATOM 231 CB ARG A 16 3.577 -1.286 9.079 1.00 1.00 C ATOM 232 CG ARG A 16 2.905 -0.641 10.309 1.00 1.00 C ATOM 233 CD ARG A 16 1.368 -0.536 10.210 1.00 1.00 C ATOM 234 NE ARG A 16 0.660 -1.753 10.698 1.00 1.00 N ATOM 235 CZ ARG A 16 0.071 -1.990 11.852 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.025 -1.150 12.825 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.467 -3.129 12.099 1.00 1.00 N ATOM 0 H ARG A 16 5.343 0.536 9.286 1.00 1.00 H new ATOM 0 HA ARG A 16 5.187 -2.084 10.230 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.446 -0.630 8.218 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.069 -2.222 8.847 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.162 -1.222 11.195 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.317 0.358 10.452 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.032 0.326 10.786 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.090 -0.354 9.172 1.00 1.00 H new ATOM 0 HE ARG A 16 0.626 -2.525 10.033 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.374 -0.216 12.734 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -0.500 -1.419 13.686 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.442 -3.868 11.396 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -0.919 -3.295 12.998 1.00 1.00 H new ATOM 251 N ALA A 17 5.985 -1.944 6.995 1.00 1.00 N ATOM 252 CA ALA A 17 6.553 -2.679 5.865 1.00 1.00 C ATOM 253 C ALA A 17 7.905 -3.382 6.167 1.00 1.00 C ATOM 254 O ALA A 17 8.045 -4.578 5.886 1.00 1.00 O ATOM 255 CB ALA A 17 6.640 -1.702 4.687 1.00 1.00 C ATOM 0 H ALA A 17 5.870 -0.949 6.804 1.00 1.00 H new ATOM 0 HA ALA A 17 5.897 -3.516 5.623 1.00 1.00 H new ATOM 0 HB1 ALA A 17 7.060 -2.213 3.821 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.643 -1.336 4.444 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.279 -0.862 4.958 1.00 1.00 H new ATOM 261 N LYS A 18 8.884 -2.669 6.757 1.00 1.00 N ATOM 262 CA LYS A 18 10.169 -3.205 7.285 1.00 1.00 C ATOM 263 C LYS A 18 9.958 -4.292 8.349 1.00 1.00 C ATOM 264 O LYS A 18 10.431 -5.417 8.201 1.00 1.00 O ATOM 265 CB LYS A 18 11.040 -2.042 7.828 1.00 1.00 C ATOM 266 CG LYS A 18 12.533 -2.389 8.076 1.00 1.00 C ATOM 267 CD LYS A 18 12.989 -2.398 9.550 1.00 1.00 C ATOM 268 CE LYS A 18 12.832 -3.768 10.233 1.00 1.00 C ATOM 269 NZ LYS A 18 12.785 -3.657 11.709 1.00 1.00 N ATOM 0 H LYS A 18 8.805 -1.661 6.888 1.00 1.00 H new ATOM 0 HA LYS A 18 10.695 -3.686 6.460 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.989 -1.213 7.123 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.605 -1.691 8.764 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.733 -3.371 7.648 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.147 -1.673 7.531 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.034 -2.093 9.600 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.414 -1.656 10.104 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.919 -4.246 9.877 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.663 -4.412 9.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.335 -4.506 12.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.752 -3.570 12.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.234 -2.816 11.977 1.00 1.00 H new ATOM 283 N ASP A 19 9.251 -3.959 9.427 1.00 1.00 N ATOM 284 CA ASP A 19 8.926 -4.850 10.553 1.00 1.00 C ATOM 285 C ASP A 19 8.145 -6.135 10.164 1.00 1.00 C ATOM 286 O ASP A 19 8.400 -7.196 10.728 1.00 1.00 O ATOM 287 CB ASP A 19 8.271 -4.027 11.671 1.00 1.00 C ATOM 288 CG ASP A 19 9.332 -3.253 12.487 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.214 -2.573 11.904 1.00 1.00 O ATOM 290 OD2 ASP A 19 9.353 -3.343 13.736 1.00 1.00 O ATOM 0 H ASP A 19 8.870 -3.021 9.551 1.00 1.00 H new ATOM 0 HA ASP A 19 9.861 -5.264 10.931 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.557 -3.326 11.240 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.710 -4.688 12.332 1.00 1.00 H new ATOM 295 N LEU A 20 7.238 -6.082 9.182 1.00 1.00 N ATOM 296 CA LEU A 20 6.594 -7.253 8.544 1.00 1.00 C ATOM 297 C LEU A 20 7.611 -8.175 7.814 1.00 1.00 C ATOM 298 O LEU A 20 7.537 -9.396 7.950 1.00 1.00 O ATOM 299 CB LEU A 20 5.473 -6.776 7.590 1.00 1.00 C ATOM 300 CG LEU A 20 4.049 -6.643 8.190 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.934 -5.977 9.573 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.174 -5.870 7.189 1.00 1.00 C ATOM 0 H LEU A 20 6.916 -5.197 8.791 1.00 1.00 H new ATOM 0 HA LEU A 20 6.155 -7.863 9.334 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.762 -5.806 7.185 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.424 -7.470 6.751 1.00 1.00 H new ATOM 0 HG LEU A 20 3.718 -7.668 8.358 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.888 -5.947 9.876 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.507 -6.551 10.302 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.326 -4.961 9.521 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.167 -5.765 7.592 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.602 -4.882 7.019 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.133 -6.415 6.246 1.00 1.00 H new ATOM 314 N ALA A 21 8.578 -7.620 7.065 1.00 1.00 N ATOM 315 CA ALA A 21 9.723 -8.366 6.504 1.00 1.00 C ATOM 316 C ALA A 21 10.613 -9.002 7.615 1.00 1.00 C ATOM 317 O ALA A 21 11.041 -10.150 7.498 1.00 1.00 O ATOM 318 CB ALA A 21 10.496 -7.457 5.531 1.00 1.00 C ATOM 0 H ALA A 21 8.589 -6.628 6.827 1.00 1.00 H new ATOM 0 HA ALA A 21 9.354 -9.218 5.933 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.342 -8.005 5.115 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.835 -7.143 4.723 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.860 -6.579 6.065 1.00 1.00 H new ATOM 324 N GLU A 22 10.879 -8.277 8.714 1.00 1.00 N ATOM 325 CA GLU A 22 11.535 -8.782 9.945 1.00 1.00 C ATOM 326 C GLU A 22 10.759 -9.928 10.641 1.00 1.00 C ATOM 327 O GLU A 22 11.370 -10.944 10.974 1.00 1.00 O ATOM 328 CB GLU A 22 11.807 -7.604 10.895 1.00 1.00 C ATOM 329 CG GLU A 22 12.750 -7.911 12.068 1.00 1.00 C ATOM 330 CD GLU A 22 13.286 -6.582 12.612 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.530 -5.852 13.296 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.350 -6.133 12.123 1.00 1.00 O ATOM 0 H GLU A 22 10.637 -7.288 8.778 1.00 1.00 H new ATOM 0 HA GLU A 22 12.482 -9.235 9.652 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.229 -6.782 10.317 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.856 -7.255 11.297 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.220 -8.455 12.849 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.572 -8.546 11.739 1.00 1.00 H new ATOM 339 N LYS A 23 9.422 -9.815 10.770 1.00 1.00 N ATOM 340 CA LYS A 23 8.451 -10.847 11.222 1.00 1.00 C ATOM 341 C LYS A 23 8.634 -12.153 10.421 1.00 1.00 C ATOM 342 O LYS A 23 8.939 -13.187 11.010 1.00 1.00 O ATOM 343 CB LYS A 23 7.008 -10.272 11.118 1.00 1.00 C ATOM 344 CG LYS A 23 5.864 -11.039 11.824 1.00 1.00 C ATOM 345 CD LYS A 23 4.478 -10.504 11.378 1.00 1.00 C ATOM 346 CE LYS A 23 3.304 -11.091 12.182 1.00 1.00 C ATOM 347 NZ LYS A 23 1.975 -10.743 11.599 1.00 1.00 N ATOM 0 H LYS A 23 8.952 -8.938 10.546 1.00 1.00 H new ATOM 0 HA LYS A 23 8.633 -11.101 12.266 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.024 -9.257 11.516 1.00 1.00 H new ATOM 0 HB3 LYS A 23 6.755 -10.196 10.060 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.938 -12.102 11.595 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.966 -10.938 12.904 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.468 -9.418 11.476 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.333 -10.730 10.322 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.405 -12.176 12.225 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.353 -10.726 13.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.221 -11.163 12.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 1.863 -9.709 11.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 1.913 -11.114 10.629 1.00 1.00 H new ATOM 361 N LEU A 24 8.559 -12.078 9.082 1.00 1.00 N ATOM 362 CA LEU A 24 8.782 -13.192 8.138 1.00 1.00 C ATOM 363 C LEU A 24 10.217 -13.787 8.229 1.00 1.00 C ATOM 364 O LEU A 24 10.369 -15.009 8.268 1.00 1.00 O ATOM 365 CB LEU A 24 8.466 -12.703 6.700 1.00 1.00 C ATOM 366 CG LEU A 24 6.967 -12.636 6.291 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.813 -12.777 4.771 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.041 -13.665 6.949 1.00 1.00 C ATOM 0 H LEU A 24 8.332 -11.205 8.606 1.00 1.00 H new ATOM 0 HA LEU A 24 8.110 -14.006 8.410 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.895 -11.708 6.578 1.00 1.00 H new ATOM 0 HB3 LEU A 24 8.980 -13.360 5.998 1.00 1.00 H new ATOM 0 HG LEU A 24 6.652 -11.657 6.653 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.757 -12.727 4.506 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.350 -11.969 4.274 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.223 -13.735 4.451 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.023 -13.521 6.588 1.00 1.00 H new ATOM 0 HD22 LEU A 24 6.377 -14.671 6.697 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.064 -13.536 8.031 1.00 1.00 H new ATOM 380 N SER A 25 11.260 -12.945 8.313 1.00 1.00 N ATOM 381 CA SER A 25 12.677 -13.336 8.528 1.00 1.00 C ATOM 382 C SER A 25 12.920 -14.106 9.843 1.00 1.00 C ATOM 383 O SER A 25 13.560 -15.157 9.845 1.00 1.00 O ATOM 384 CB SER A 25 13.590 -12.103 8.454 1.00 1.00 C ATOM 385 OG SER A 25 14.939 -12.500 8.316 1.00 1.00 O ATOM 0 H SER A 25 11.143 -11.935 8.231 1.00 1.00 H new ATOM 0 HA SER A 25 12.924 -14.028 7.723 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.300 -11.477 7.610 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.472 -11.500 9.354 1.00 1.00 H new ATOM 0 HG SER A 25 15.020 -13.131 7.570 1.00 1.00 H new ATOM 391 N ASN A 26 12.380 -13.609 10.966 1.00 1.00 N ATOM 392 CA ASN A 26 12.302 -14.281 12.275 1.00 1.00 C ATOM 393 C ASN A 26 11.546 -15.640 12.193 1.00 1.00 C ATOM 394 O ASN A 26 11.936 -16.603 12.856 1.00 1.00 O ATOM 395 CB ASN A 26 11.664 -13.279 13.279 1.00 1.00 C ATOM 396 CG ASN A 26 11.735 -13.659 14.754 1.00 1.00 C ATOM 397 OD1 ASN A 26 12.086 -12.866 15.613 1.00 1.00 O ATOM 398 ND2 ASN A 26 11.406 -14.865 15.128 1.00 1.00 N ATOM 0 H ASN A 26 11.963 -12.678 10.988 1.00 1.00 H new ATOM 0 HA ASN A 26 13.299 -14.550 12.625 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.150 -12.312 13.152 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.616 -13.147 13.010 1.00 1.00 H new ATOM 0 HD21 ASN A 26 11.446 -15.122 16.114 1.00 1.00 H new ATOM 0 HD22 ASN A 26 11.108 -15.551 14.434 1.00 1.00 H new ATOM 405 N GLU A 27 10.444 -15.703 11.438 1.00 1.00 N ATOM 406 CA GLU A 27 9.479 -16.816 11.320 1.00 1.00 C ATOM 407 C GLU A 27 9.950 -17.994 10.421 1.00 1.00 C ATOM 408 O GLU A 27 9.651 -19.140 10.771 1.00 1.00 O ATOM 409 CB GLU A 27 8.146 -16.200 10.830 1.00 1.00 C ATOM 410 CG GLU A 27 7.015 -17.145 10.395 1.00 1.00 C ATOM 411 CD GLU A 27 5.823 -16.341 9.828 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.195 -15.562 10.575 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.479 -16.563 8.633 1.00 1.00 O ATOM 0 H GLU A 27 10.177 -14.918 10.844 1.00 1.00 H new ATOM 0 HA GLU A 27 9.365 -17.287 12.296 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.760 -15.568 11.630 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.373 -15.546 9.988 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.384 -17.840 9.640 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.686 -17.743 11.245 1.00 1.00 H new ATOM 420 N ARG A 28 10.693 -17.748 9.319 1.00 1.00 N ATOM 421 CA ARG A 28 11.059 -18.719 8.236 1.00 1.00 C ATOM 422 C ARG A 28 12.577 -18.931 8.009 1.00 1.00 C ATOM 423 O ARG A 28 13.421 -18.267 8.608 1.00 1.00 O ATOM 424 CB ARG A 28 10.324 -18.329 6.917 1.00 1.00 C ATOM 425 CG ARG A 28 8.817 -18.031 7.123 1.00 1.00 C ATOM 426 CD ARG A 28 8.017 -17.718 5.852 1.00 1.00 C ATOM 427 NE ARG A 28 6.646 -17.302 6.210 1.00 1.00 N ATOM 428 CZ ARG A 28 5.594 -17.085 5.466 1.00 1.00 C ATOM 429 NH1 ARG A 28 5.542 -17.273 4.201 1.00 1.00 N ATOM 430 NH2 ARG A 28 4.518 -16.647 6.006 1.00 1.00 N ATOM 0 H ARG A 28 11.079 -16.821 9.141 1.00 1.00 H new ATOM 0 HA ARG A 28 10.720 -19.695 8.583 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.806 -17.451 6.486 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.432 -19.139 6.195 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.360 -18.890 7.614 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.723 -17.186 7.806 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.510 -16.927 5.287 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.983 -18.597 5.208 1.00 1.00 H new ATOM 0 HE ARG A 28 6.494 -17.160 7.209 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.363 -17.617 3.702 1.00 1.00 H new ATOM 0 HH12 ARG A 28 4.680 -17.079 3.692 1.00 1.00 H new ATOM 0 HH21 ARG A 28 4.487 -16.470 7.010 1.00 1.00 H new ATOM 0 HH22 ARG A 28 3.693 -16.475 5.432 1.00 1.00 H new ATOM 444 N ASP A 29 12.929 -19.892 7.151 1.00 1.00 N ATOM 445 CA ASP A 29 14.289 -20.376 6.795 1.00 1.00 C ATOM 446 C ASP A 29 14.945 -19.679 5.565 1.00 1.00 C ATOM 447 O ASP A 29 16.135 -19.361 5.577 1.00 1.00 O ATOM 448 CB ASP A 29 14.205 -21.910 6.589 1.00 1.00 C ATOM 449 CG ASP A 29 13.204 -22.395 5.520 1.00 1.00 C ATOM 450 OD1 ASP A 29 12.486 -21.582 4.898 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.095 -23.621 5.311 1.00 1.00 O ATOM 0 H ASP A 29 12.214 -20.405 6.635 1.00 1.00 H new ATOM 0 HA ASP A 29 14.951 -20.114 7.620 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.197 -22.276 6.322 1.00 1.00 H new ATOM 0 HB3 ASP A 29 13.941 -22.371 7.541 1.00 1.00 H new ATOM 456 N ASP A 30 14.166 -19.416 4.510 1.00 1.00 N ATOM 457 CA ASP A 30 14.550 -18.810 3.214 1.00 1.00 C ATOM 458 C ASP A 30 14.528 -17.276 3.130 1.00 1.00 C ATOM 459 O ASP A 30 15.027 -16.691 2.169 1.00 1.00 O ATOM 460 CB ASP A 30 13.581 -19.348 2.156 1.00 1.00 C ATOM 461 CG ASP A 30 14.131 -19.234 0.728 1.00 1.00 C ATOM 462 OD1 ASP A 30 15.270 -19.677 0.441 1.00 1.00 O ATOM 463 OD2 ASP A 30 13.423 -18.650 -0.123 1.00 1.00 O ATOM 0 H ASP A 30 13.170 -19.636 4.534 1.00 1.00 H new ATOM 0 HA ASP A 30 15.594 -19.085 3.064 1.00 1.00 H new ATOM 0 HB2 ASP A 30 13.359 -20.393 2.372 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.640 -18.802 2.222 1.00 1.00 H new ATOM 468 N PHE A 31 13.940 -16.637 4.137 1.00 1.00 N ATOM 469 CA PHE A 31 13.606 -15.203 4.148 1.00 1.00 C ATOM 470 C PHE A 31 14.665 -14.298 4.835 1.00 1.00 C ATOM 471 O PHE A 31 14.823 -14.261 6.061 1.00 1.00 O ATOM 472 CB PHE A 31 12.183 -15.002 4.716 1.00 1.00 C ATOM 473 CG PHE A 31 11.616 -13.634 4.368 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.124 -12.479 5.005 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.661 -13.492 3.332 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.721 -11.196 4.595 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.245 -12.207 2.924 1.00 1.00 C ATOM 478 CZ PHE A 31 10.788 -11.064 3.550 1.00 1.00 C ATOM 0 H PHE A 31 13.671 -17.112 4.999 1.00 1.00 H new ATOM 0 HA PHE A 31 13.622 -14.866 3.112 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.524 -15.777 4.325 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.206 -15.120 5.799 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.830 -12.583 5.816 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.250 -14.369 2.853 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.124 -10.319 5.078 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.514 -12.098 2.136 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.485 -10.080 3.224 1.00 1.00 H new ATOM 488 N GLN A 32 15.364 -13.517 4.004 1.00 1.00 N ATOM 489 CA GLN A 32 16.448 -12.569 4.317 1.00 1.00 C ATOM 490 C GLN A 32 16.129 -11.142 3.824 1.00 1.00 C ATOM 491 O GLN A 32 15.666 -10.933 2.705 1.00 1.00 O ATOM 492 CB GLN A 32 17.781 -13.096 3.737 1.00 1.00 C ATOM 493 CG GLN A 32 18.358 -14.284 4.542 1.00 1.00 C ATOM 494 CD GLN A 32 19.058 -13.844 5.830 1.00 1.00 C ATOM 495 OE1 GLN A 32 20.255 -13.599 5.881 1.00 1.00 O ATOM 496 NE2 GLN A 32 18.382 -13.699 6.940 1.00 1.00 N ATOM 0 H GLN A 32 15.170 -13.531 3.003 1.00 1.00 H new ATOM 0 HA GLN A 32 16.544 -12.498 5.400 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.625 -13.405 2.703 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.510 -12.286 3.721 1.00 1.00 H new ATOM 0 HG2 GLN A 32 17.552 -14.975 4.790 1.00 1.00 H new ATOM 0 HG3 GLN A 32 19.065 -14.830 3.918 1.00 1.00 H new ATOM 0 HE21 GLN A 32 17.380 -13.890 6.956 1.00 1.00 H new ATOM 0 HE22 GLN A 32 18.857 -13.395 7.790 1.00 1.00 H new ATOM 505 N TYR A 33 16.371 -10.150 4.686 1.00 1.00 N ATOM 506 CA TYR A 33 16.033 -8.720 4.568 1.00 1.00 C ATOM 507 C TYR A 33 17.257 -7.779 4.420 1.00 1.00 C ATOM 508 O TYR A 33 18.291 -7.988 5.056 1.00 1.00 O ATOM 509 CB TYR A 33 14.984 -8.271 5.617 1.00 1.00 C ATOM 510 CG TYR A 33 15.455 -7.589 6.899 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.985 -6.274 6.844 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.236 -8.202 8.160 1.00 1.00 C ATOM 513 CE1 TYR A 33 16.300 -5.580 8.036 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.502 -7.481 9.352 1.00 1.00 C ATOM 515 CZ TYR A 33 16.030 -6.164 9.296 1.00 1.00 C ATOM 516 OH TYR A 33 16.205 -5.435 10.436 1.00 1.00 O ATOM 0 H TYR A 33 16.852 -10.340 5.565 1.00 1.00 H new ATOM 0 HA TYR A 33 15.535 -8.613 3.604 1.00 1.00 H new ATOM 0 HB2 TYR A 33 14.293 -7.591 5.119 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.411 -9.152 5.906 1.00 1.00 H new ATOM 0 HD1 TYR A 33 16.149 -5.800 5.887 1.00 1.00 H new ATOM 0 HD2 TYR A 33 14.867 -9.216 8.212 1.00 1.00 H new ATOM 0 HE1 TYR A 33 16.749 -4.599 7.984 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.301 -7.937 10.310 1.00 1.00 H new ATOM 0 HH TYR A 33 15.532 -5.697 11.098 1.00 1.00 H new ATOM 526 N GLN A 34 17.124 -6.746 3.569 1.00 1.00 N ATOM 527 CA GLN A 34 18.088 -5.642 3.374 1.00 1.00 C ATOM 528 C GLN A 34 17.347 -4.293 3.551 1.00 1.00 C ATOM 529 O GLN A 34 16.280 -4.074 2.983 1.00 1.00 O ATOM 530 CB GLN A 34 18.677 -5.679 1.937 1.00 1.00 C ATOM 531 CG GLN A 34 19.883 -4.746 1.699 1.00 1.00 C ATOM 532 CD GLN A 34 20.179 -4.539 0.208 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.266 -5.457 -0.587 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.335 -3.328 -0.267 1.00 1.00 N ATOM 0 H GLN A 34 16.304 -6.651 2.969 1.00 1.00 H new ATOM 0 HA GLN A 34 18.893 -5.749 4.101 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.979 -6.702 1.711 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.889 -5.416 1.231 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.689 -3.780 2.165 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.764 -5.164 2.187 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.272 -2.523 0.357 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.520 -3.190 -1.261 1.00 1.00 H new ATOM 543 N TYR A 35 17.913 -3.375 4.336 1.00 1.00 N ATOM 544 CA TYR A 35 17.350 -2.057 4.668 1.00 1.00 C ATOM 545 C TYR A 35 18.309 -0.891 4.314 1.00 1.00 C ATOM 546 O TYR A 35 19.463 -0.887 4.742 1.00 1.00 O ATOM 547 CB TYR A 35 16.873 -2.013 6.138 1.00 1.00 C ATOM 548 CG TYR A 35 16.459 -0.607 6.565 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.535 0.103 5.761 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.158 0.073 7.591 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.401 1.496 5.905 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.960 1.461 7.787 1.00 1.00 C ATOM 553 CZ TYR A 35 16.102 2.180 6.925 1.00 1.00 C ATOM 554 OH TYR A 35 15.985 3.525 7.044 1.00 1.00 O ATOM 0 H TYR A 35 18.818 -3.533 4.780 1.00 1.00 H new ATOM 0 HA TYR A 35 16.472 -1.911 4.038 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.031 -2.693 6.266 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.672 -2.369 6.789 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.933 -0.425 5.037 1.00 1.00 H new ATOM 0 HD2 TYR A 35 17.844 -0.468 8.226 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.759 2.046 5.233 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.465 1.970 8.595 1.00 1.00 H new ATOM 0 HH TYR A 35 16.776 3.883 7.498 1.00 1.00 H new ATOM 564 N VAL A 36 17.808 0.068 3.519 1.00 1.00 N ATOM 565 CA VAL A 36 18.522 1.241 2.952 1.00 1.00 C ATOM 566 C VAL A 36 17.737 2.547 3.204 1.00 1.00 C ATOM 567 O VAL A 36 16.645 2.752 2.682 1.00 1.00 O ATOM 568 CB VAL A 36 18.796 1.061 1.433 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.735 2.171 0.927 1.00 1.00 C ATOM 570 CG2 VAL A 36 19.410 -0.313 1.077 1.00 1.00 C ATOM 0 H VAL A 36 16.829 0.051 3.232 1.00 1.00 H new ATOM 0 HA VAL A 36 19.482 1.312 3.463 1.00 1.00 H new ATOM 0 HB VAL A 36 17.824 1.121 0.943 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.919 2.034 -0.139 1.00 1.00 H new ATOM 0 HG12 VAL A 36 19.271 3.143 1.093 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.680 2.123 1.468 1.00 1.00 H new ATOM 0 HG21 VAL A 36 19.575 -0.370 0.001 1.00 1.00 H new ATOM 0 HG22 VAL A 36 20.361 -0.432 1.597 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.728 -1.106 1.382 1.00 1.00 H new ATOM 580 N ASP A 37 18.280 3.453 4.029 1.00 1.00 N ATOM 581 CA ASP A 37 17.753 4.815 4.294 1.00 1.00 C ATOM 582 C ASP A 37 17.826 5.808 3.113 1.00 1.00 C ATOM 583 O ASP A 37 18.820 6.482 2.903 1.00 1.00 O ATOM 584 CB ASP A 37 18.324 5.451 5.585 1.00 1.00 C ATOM 585 CG ASP A 37 19.099 4.524 6.515 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.251 4.135 6.171 1.00 1.00 O ATOM 587 OD2 ASP A 37 18.543 4.147 7.562 1.00 1.00 O ATOM 0 H ASP A 37 19.132 3.257 4.555 1.00 1.00 H new ATOM 0 HA ASP A 37 16.690 4.628 4.445 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.980 6.273 5.299 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.496 5.884 6.147 1.00 1.00 H new ATOM 592 N ILE A 38 16.719 6.021 2.384 1.00 1.00 N ATOM 593 CA ILE A 38 16.609 7.024 1.293 1.00 1.00 C ATOM 594 C ILE A 38 16.894 8.467 1.782 1.00 1.00 C ATOM 595 O ILE A 38 17.649 9.194 1.143 1.00 1.00 O ATOM 596 CB ILE A 38 15.279 6.861 0.493 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.992 7.157 1.313 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.233 5.442 -0.104 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.494 8.604 1.188 1.00 1.00 C ATOM 0 H ILE A 38 15.857 5.497 2.532 1.00 1.00 H new ATOM 0 HA ILE A 38 17.404 6.821 0.575 1.00 1.00 H new ATOM 0 HB ILE A 38 15.286 7.616 -0.293 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.201 6.481 0.986 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.184 6.939 2.363 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.308 5.314 -0.666 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.085 5.299 -0.769 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.274 4.707 0.700 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.593 8.732 1.788 1.00 1.00 H new ATOM 0 HD12 ILE A 38 14.266 9.287 1.543 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.268 8.822 0.144 1.00 1.00 H new ATOM 611 N ARG A 39 16.426 8.825 2.991 1.00 1.00 N ATOM 612 CA ARG A 39 16.713 10.083 3.733 1.00 1.00 C ATOM 613 C ARG A 39 18.170 10.226 4.260 1.00 1.00 C ATOM 614 O ARG A 39 18.534 11.317 4.680 1.00 1.00 O ATOM 615 CB ARG A 39 15.648 10.246 4.852 1.00 1.00 C ATOM 616 CG ARG A 39 15.849 11.446 5.813 1.00 1.00 C ATOM 617 CD ARG A 39 14.604 11.751 6.661 1.00 1.00 C ATOM 618 NE ARG A 39 13.729 12.716 5.978 1.00 1.00 N ATOM 619 CZ ARG A 39 12.576 13.202 6.345 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.799 12.632 7.186 1.00 1.00 N ATOM 621 NH2 ARG A 39 12.175 14.315 5.855 1.00 1.00 N ATOM 0 H ARG A 39 15.799 8.213 3.514 1.00 1.00 H new ATOM 0 HA ARG A 39 16.639 10.906 3.022 1.00 1.00 H new ATOM 0 HB2 ARG A 39 14.669 10.342 4.383 1.00 1.00 H new ATOM 0 HB3 ARG A 39 15.629 9.331 5.444 1.00 1.00 H new ATOM 0 HG2 ARG A 39 16.690 11.238 6.474 1.00 1.00 H new ATOM 0 HG3 ARG A 39 16.111 12.330 5.232 1.00 1.00 H new ATOM 0 HD2 ARG A 39 14.055 10.829 6.854 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.907 12.150 7.629 1.00 1.00 H new ATOM 0 HE ARG A 39 14.077 13.057 5.082 1.00 1.00 H new ATOM 0 HH11 ARG A 39 12.070 11.745 7.611 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.908 13.064 7.432 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.756 14.815 5.182 1.00 1.00 H new ATOM 0 HH22 ARG A 39 11.274 14.701 6.137 1.00 1.00 H new ATOM 635 N ALA A 40 19.001 9.176 4.222 1.00 1.00 N ATOM 636 CA ALA A 40 20.429 9.223 4.641 1.00 1.00 C ATOM 637 C ALA A 40 21.417 8.933 3.482 1.00 1.00 C ATOM 638 O ALA A 40 22.391 9.663 3.295 1.00 1.00 O ATOM 639 CB ALA A 40 20.651 8.307 5.858 1.00 1.00 C ATOM 0 H ALA A 40 18.708 8.254 3.897 1.00 1.00 H new ATOM 0 HA ALA A 40 20.652 10.247 4.941 1.00 1.00 H new ATOM 0 HB1 ALA A 40 21.698 8.348 6.158 1.00 1.00 H new ATOM 0 HB2 ALA A 40 20.024 8.642 6.684 1.00 1.00 H new ATOM 0 HB3 ALA A 40 20.388 7.282 5.595 1.00 1.00 H new ATOM 645 N GLU A 41 21.137 7.904 2.672 1.00 1.00 N ATOM 646 CA GLU A 41 21.833 7.567 1.405 1.00 1.00 C ATOM 647 C GLU A 41 21.715 8.684 0.330 1.00 1.00 C ATOM 648 O GLU A 41 22.688 8.979 -0.367 1.00 1.00 O ATOM 649 CB GLU A 41 21.295 6.208 0.877 1.00 1.00 C ATOM 650 CG GLU A 41 22.345 5.374 0.111 1.00 1.00 C ATOM 651 CD GLU A 41 22.057 5.214 -1.390 1.00 1.00 C ATOM 652 OE1 GLU A 41 21.982 6.228 -2.113 1.00 1.00 O ATOM 653 OE2 GLU A 41 21.996 4.057 -1.871 1.00 1.00 O ATOM 0 H GLU A 41 20.385 7.248 2.884 1.00 1.00 H new ATOM 0 HA GLU A 41 22.899 7.482 1.617 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.925 5.623 1.719 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.445 6.395 0.221 1.00 1.00 H new ATOM 0 HG2 GLU A 41 23.322 5.842 0.233 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.406 4.385 0.564 1.00 1.00 H new ATOM 660 N GLY A 42 20.566 9.383 0.264 1.00 1.00 N ATOM 661 CA GLY A 42 20.288 10.590 -0.548 1.00 1.00 C ATOM 662 C GLY A 42 19.359 10.381 -1.762 1.00 1.00 C ATOM 663 O GLY A 42 19.657 10.857 -2.858 1.00 1.00 O ATOM 0 H GLY A 42 19.752 9.104 0.811 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.845 11.347 0.099 1.00 1.00 H new ATOM 0 HA3 GLY A 42 21.236 10.992 -0.905 1.00 1.00 H new ATOM 667 N ILE A 43 18.232 9.682 -1.566 1.00 1.00 N ATOM 668 CA ILE A 43 17.209 9.255 -2.553 1.00 1.00 C ATOM 669 C ILE A 43 15.800 9.753 -2.136 1.00 1.00 C ATOM 670 O ILE A 43 15.521 10.066 -0.976 1.00 1.00 O ATOM 671 CB ILE A 43 17.238 7.704 -2.743 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.643 7.084 -3.000 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.283 7.248 -3.878 1.00 1.00 C ATOM 674 CD1 ILE A 43 18.721 5.612 -2.552 1.00 1.00 C ATOM 0 H ILE A 43 17.983 9.368 -0.628 1.00 1.00 H new ATOM 0 HA ILE A 43 17.446 9.709 -3.515 1.00 1.00 H new ATOM 0 HB ILE A 43 16.903 7.329 -1.776 1.00 1.00 H new ATOM 0 HG12 ILE A 43 18.879 7.152 -4.062 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.397 7.664 -2.468 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.331 6.164 -3.980 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.263 7.545 -3.636 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.584 7.714 -4.816 1.00 1.00 H new ATOM 0 HD11 ILE A 43 19.720 5.223 -2.751 1.00 1.00 H new ATOM 0 HD12 ILE A 43 18.512 5.545 -1.484 1.00 1.00 H new ATOM 0 HD13 ILE A 43 17.986 5.025 -3.103 1.00 1.00 H new ATOM 686 N THR A 44 14.874 9.823 -3.098 1.00 1.00 N ATOM 687 CA THR A 44 13.533 10.438 -2.961 1.00 1.00 C ATOM 688 C THR A 44 12.433 9.777 -3.821 1.00 1.00 C ATOM 689 O THR A 44 12.722 9.045 -4.773 1.00 1.00 O ATOM 690 CB THR A 44 13.679 11.943 -3.255 1.00 1.00 C ATOM 691 OG1 THR A 44 12.474 12.605 -2.997 1.00 1.00 O ATOM 692 CG2 THR A 44 14.162 12.287 -4.666 1.00 1.00 C ATOM 0 H THR A 44 15.035 9.442 -4.030 1.00 1.00 H new ATOM 0 HA THR A 44 13.184 10.275 -1.941 1.00 1.00 H new ATOM 0 HB THR A 44 14.466 12.286 -2.583 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.915 12.592 -3.802 1.00 1.00 H new ATOM 0 HG21 THR A 44 14.232 13.369 -4.773 1.00 1.00 H new ATOM 0 HG22 THR A 44 15.143 11.842 -4.834 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.456 11.895 -5.398 1.00 1.00 H new ATOM 700 N LYS A 45 11.149 10.043 -3.511 1.00 1.00 N ATOM 701 CA LYS A 45 9.945 9.533 -4.225 1.00 1.00 C ATOM 702 C LYS A 45 9.842 9.882 -5.734 1.00 1.00 C ATOM 703 O LYS A 45 9.103 9.219 -6.457 1.00 1.00 O ATOM 704 CB LYS A 45 8.666 9.841 -3.399 1.00 1.00 C ATOM 705 CG LYS A 45 8.245 11.320 -3.188 1.00 1.00 C ATOM 706 CD LYS A 45 7.823 12.101 -4.448 1.00 1.00 C ATOM 707 CE LYS A 45 6.717 11.420 -5.264 1.00 1.00 C ATOM 708 NZ LYS A 45 6.860 11.702 -6.710 1.00 1.00 N ATOM 0 H LYS A 45 10.904 10.644 -2.724 1.00 1.00 H new ATOM 0 HA LYS A 45 10.060 8.451 -4.280 1.00 1.00 H new ATOM 0 HB2 LYS A 45 7.833 9.327 -3.878 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.794 9.392 -2.414 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.417 11.341 -2.480 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.077 11.848 -2.722 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.482 13.093 -4.151 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.696 12.241 -5.085 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.750 10.343 -5.097 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.743 11.766 -4.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.078 11.255 -7.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.838 12.730 -6.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.765 11.319 -7.051 1.00 1.00 H new ATOM 722 N GLU A 46 10.591 10.878 -6.216 1.00 1.00 N ATOM 723 CA GLU A 46 10.797 11.269 -7.632 1.00 1.00 C ATOM 724 C GLU A 46 11.712 10.270 -8.393 1.00 1.00 C ATOM 725 O GLU A 46 11.551 10.054 -9.596 1.00 1.00 O ATOM 726 CB GLU A 46 11.460 12.666 -7.682 1.00 1.00 C ATOM 727 CG GLU A 46 10.556 13.832 -7.233 1.00 1.00 C ATOM 728 CD GLU A 46 10.732 14.162 -5.739 1.00 1.00 C ATOM 729 OE1 GLU A 46 10.988 13.257 -4.909 1.00 1.00 O ATOM 730 OE2 GLU A 46 10.683 15.348 -5.352 1.00 1.00 O ATOM 0 H GLU A 46 11.114 11.485 -5.585 1.00 1.00 H new ATOM 0 HA GLU A 46 9.819 11.273 -8.113 1.00 1.00 H new ATOM 0 HB2 GLU A 46 12.350 12.652 -7.052 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.794 12.857 -8.702 1.00 1.00 H new ATOM 0 HG2 GLU A 46 10.784 14.716 -7.828 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.514 13.577 -7.427 1.00 1.00 H new ATOM 737 N ASP A 47 12.660 9.634 -7.686 1.00 1.00 N ATOM 738 CA ASP A 47 13.590 8.582 -8.143 1.00 1.00 C ATOM 739 C ASP A 47 12.987 7.161 -8.041 1.00 1.00 C ATOM 740 O ASP A 47 13.037 6.383 -8.993 1.00 1.00 O ATOM 741 CB ASP A 47 14.900 8.656 -7.312 1.00 1.00 C ATOM 742 CG ASP A 47 16.126 8.044 -8.014 1.00 1.00 C ATOM 743 OD1 ASP A 47 16.001 7.322 -9.029 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.261 8.268 -7.540 1.00 1.00 O ATOM 0 H ASP A 47 12.810 9.858 -6.702 1.00 1.00 H new ATOM 0 HA ASP A 47 13.794 8.766 -9.198 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.111 9.700 -7.080 1.00 1.00 H new ATOM 0 HB3 ASP A 47 14.745 8.143 -6.363 1.00 1.00 H new ATOM 749 N LEU A 48 12.392 6.814 -6.888 1.00 1.00 N ATOM 750 CA LEU A 48 11.858 5.471 -6.583 1.00 1.00 C ATOM 751 C LEU A 48 10.835 4.953 -7.626 1.00 1.00 C ATOM 752 O LEU A 48 10.909 3.790 -8.017 1.00 1.00 O ATOM 753 CB LEU A 48 11.352 5.443 -5.120 1.00 1.00 C ATOM 754 CG LEU A 48 12.501 5.543 -4.078 1.00 1.00 C ATOM 755 CD1 LEU A 48 11.996 5.953 -2.688 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.279 4.223 -3.949 1.00 1.00 C ATOM 0 H LEU A 48 12.264 7.474 -6.121 1.00 1.00 H new ATOM 0 HA LEU A 48 12.669 4.748 -6.668 1.00 1.00 H new ATOM 0 HB2 LEU A 48 10.657 6.268 -4.966 1.00 1.00 H new ATOM 0 HB3 LEU A 48 10.795 4.521 -4.951 1.00 1.00 H new ATOM 0 HG LEU A 48 13.167 6.319 -4.456 1.00 1.00 H new ATOM 0 HD11 LEU A 48 12.837 6.009 -1.997 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.512 6.928 -2.750 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.280 5.214 -2.329 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.072 4.339 -3.210 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.601 3.431 -3.632 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.716 3.963 -4.913 1.00 1.00 H new ATOM 768 N GLN A 49 9.965 5.825 -8.158 1.00 1.00 N ATOM 769 CA GLN A 49 9.050 5.583 -9.300 1.00 1.00 C ATOM 770 C GLN A 49 9.746 5.272 -10.660 1.00 1.00 C ATOM 771 O GLN A 49 9.105 4.801 -11.598 1.00 1.00 O ATOM 772 CB GLN A 49 8.062 6.778 -9.395 1.00 1.00 C ATOM 773 CG GLN A 49 8.667 8.113 -9.886 1.00 1.00 C ATOM 774 CD GLN A 49 7.831 9.375 -9.613 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.266 10.485 -9.865 1.00 1.00 O ATOM 776 NE2 GLN A 49 6.637 9.323 -9.074 1.00 1.00 N ATOM 0 H GLN A 49 9.871 6.771 -7.788 1.00 1.00 H new ATOM 0 HA GLN A 49 8.511 4.658 -9.094 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.249 6.501 -10.066 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.622 6.940 -8.411 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.643 8.240 -9.418 1.00 1.00 H new ATOM 0 HG3 GLN A 49 8.836 8.039 -10.960 1.00 1.00 H new ATOM 0 HE21 GLN A 49 6.221 8.421 -8.841 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.124 10.184 -8.887 1.00 1.00 H new ATOM 785 N GLN A 50 11.063 5.486 -10.778 1.00 1.00 N ATOM 786 CA GLN A 50 11.960 5.146 -11.906 1.00 1.00 C ATOM 787 C GLN A 50 12.767 3.858 -11.592 1.00 1.00 C ATOM 788 O GLN A 50 12.710 2.895 -12.364 1.00 1.00 O ATOM 789 CB GLN A 50 12.889 6.343 -12.241 1.00 1.00 C ATOM 790 CG GLN A 50 12.160 7.689 -12.483 1.00 1.00 C ATOM 791 CD GLN A 50 13.140 8.833 -12.734 1.00 1.00 C ATOM 792 OE1 GLN A 50 13.787 8.917 -13.764 1.00 1.00 O ATOM 793 NE2 GLN A 50 13.273 9.790 -11.853 1.00 1.00 N ATOM 0 H GLN A 50 11.579 5.941 -10.025 1.00 1.00 H new ATOM 0 HA GLN A 50 11.354 4.944 -12.789 1.00 1.00 H new ATOM 0 HB2 GLN A 50 13.598 6.473 -11.424 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.469 6.096 -13.130 1.00 1.00 H new ATOM 0 HG2 GLN A 50 11.491 7.590 -13.338 1.00 1.00 H new ATOM 0 HG3 GLN A 50 11.540 7.926 -11.619 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.748 9.755 -10.979 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.901 10.571 -12.040 1.00 1.00 H new ATOM 802 N LYS A 51 13.427 3.790 -10.416 1.00 1.00 N ATOM 803 CA LYS A 51 14.104 2.593 -9.844 1.00 1.00 C ATOM 804 C LYS A 51 13.224 1.326 -9.807 1.00 1.00 C ATOM 805 O LYS A 51 13.681 0.245 -10.168 1.00 1.00 O ATOM 806 CB LYS A 51 14.615 2.887 -8.415 1.00 1.00 C ATOM 807 CG LYS A 51 15.693 3.975 -8.294 1.00 1.00 C ATOM 808 CD LYS A 51 16.972 3.666 -9.097 1.00 1.00 C ATOM 809 CE LYS A 51 18.227 4.287 -8.473 1.00 1.00 C ATOM 810 NZ LYS A 51 18.299 5.759 -8.648 1.00 1.00 N ATOM 0 H LYS A 51 13.510 4.604 -9.806 1.00 1.00 H new ATOM 0 HA LYS A 51 14.934 2.386 -10.519 1.00 1.00 H new ATOM 0 HB2 LYS A 51 13.764 3.177 -7.799 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.012 1.963 -7.995 1.00 1.00 H new ATOM 0 HG2 LYS A 51 15.280 4.924 -8.635 1.00 1.00 H new ATOM 0 HG3 LYS A 51 15.955 4.101 -7.243 1.00 1.00 H new ATOM 0 HD2 LYS A 51 17.101 2.586 -9.165 1.00 1.00 H new ATOM 0 HD3 LYS A 51 16.856 4.038 -10.115 1.00 1.00 H new ATOM 0 HE2 LYS A 51 18.250 4.052 -7.409 1.00 1.00 H new ATOM 0 HE3 LYS A 51 19.111 3.831 -8.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 19.026 5.989 -9.356 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.377 6.116 -8.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 18.545 6.205 -7.741 1.00 1.00 H new ATOM 824 N ALA A 52 11.958 1.469 -9.406 1.00 1.00 N ATOM 825 CA ALA A 52 10.898 0.449 -9.427 1.00 1.00 C ATOM 826 C ALA A 52 10.297 0.107 -10.814 1.00 1.00 C ATOM 827 O ALA A 52 9.518 -0.852 -10.894 1.00 1.00 O ATOM 828 CB ALA A 52 9.766 0.984 -8.531 1.00 1.00 C ATOM 0 H ALA A 52 11.621 2.357 -9.033 1.00 1.00 H new ATOM 0 HA ALA A 52 11.354 -0.481 -9.088 1.00 1.00 H new ATOM 0 HB1 ALA A 52 8.948 0.264 -8.509 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.143 1.135 -7.520 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.404 1.932 -8.929 1.00 1.00 H new ATOM 834 N GLY A 53 10.577 0.903 -11.868 1.00 1.00 N ATOM 835 CA GLY A 53 9.898 0.849 -13.181 1.00 1.00 C ATOM 836 C GLY A 53 8.374 0.756 -12.998 1.00 1.00 C ATOM 837 O GLY A 53 7.731 -0.150 -13.538 1.00 1.00 O ATOM 0 H GLY A 53 11.301 1.620 -11.828 1.00 1.00 H new ATOM 0 HA2 GLY A 53 10.147 1.737 -13.762 1.00 1.00 H new ATOM 0 HA3 GLY A 53 10.255 -0.012 -13.746 1.00 1.00 H new ATOM 841 N LYS A 54 7.822 1.634 -12.139 1.00 1.00 N ATOM 842 CA LYS A 54 6.441 1.586 -11.625 1.00 1.00 C ATOM 843 C LYS A 54 5.864 2.986 -11.290 1.00 1.00 C ATOM 844 O LYS A 54 6.532 3.731 -10.564 1.00 1.00 O ATOM 845 CB LYS A 54 6.437 0.681 -10.357 1.00 1.00 C ATOM 846 CG LYS A 54 5.136 -0.104 -10.139 1.00 1.00 C ATOM 847 CD LYS A 54 4.918 -1.250 -11.151 1.00 1.00 C ATOM 848 CE LYS A 54 5.755 -2.513 -10.901 1.00 1.00 C ATOM 849 NZ LYS A 54 7.112 -2.488 -11.505 1.00 1.00 N ATOM 0 H LYS A 54 8.347 2.427 -11.770 1.00 1.00 H new ATOM 0 HA LYS A 54 5.797 1.180 -12.405 1.00 1.00 H new ATOM 0 HB2 LYS A 54 7.265 -0.025 -10.427 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.622 1.303 -9.481 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.138 -0.519 -9.131 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.293 0.585 -10.199 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.863 -1.525 -11.142 1.00 1.00 H new ATOM 0 HD3 LYS A 54 5.142 -0.878 -12.151 1.00 1.00 H new ATOM 0 HE2 LYS A 54 5.854 -2.660 -9.825 1.00 1.00 H new ATOM 0 HE3 LYS A 54 5.214 -3.374 -11.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 7.403 -3.457 -11.746 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 7.098 -1.907 -12.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.787 -2.083 -10.826 1.00 1.00 H new ATOM 863 N PRO A 55 4.626 3.333 -11.721 1.00 1.00 N ATOM 864 CA PRO A 55 3.944 4.569 -11.321 1.00 1.00 C ATOM 865 C PRO A 55 3.532 4.515 -9.832 1.00 1.00 C ATOM 866 O PRO A 55 2.477 3.995 -9.466 1.00 1.00 O ATOM 867 CB PRO A 55 2.776 4.727 -12.301 1.00 1.00 C ATOM 868 CG PRO A 55 2.419 3.285 -12.665 1.00 1.00 C ATOM 869 CD PRO A 55 3.764 2.562 -12.612 1.00 1.00 C ATOM 0 HA PRO A 55 4.585 5.449 -11.379 1.00 1.00 H new ATOM 0 HB2 PRO A 55 1.934 5.245 -11.842 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.065 5.303 -13.180 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.705 2.858 -11.960 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.967 3.221 -13.655 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.641 1.544 -12.244 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.203 2.490 -13.607 1.00 1.00 H new ATOM 877 N VAL A 56 4.420 5.017 -8.970 1.00 1.00 N ATOM 878 CA VAL A 56 4.234 5.246 -7.516 1.00 1.00 C ATOM 879 C VAL A 56 4.274 6.749 -7.196 1.00 1.00 C ATOM 880 O VAL A 56 4.898 7.524 -7.918 1.00 1.00 O ATOM 881 CB VAL A 56 5.288 4.508 -6.629 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.565 3.055 -7.044 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.668 5.186 -6.597 1.00 1.00 C ATOM 0 H VAL A 56 5.351 5.296 -9.279 1.00 1.00 H new ATOM 0 HA VAL A 56 3.256 4.830 -7.274 1.00 1.00 H new ATOM 0 HB VAL A 56 4.806 4.547 -5.652 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.308 2.621 -6.375 1.00 1.00 H new ATOM 0 HG12 VAL A 56 4.642 2.478 -6.986 1.00 1.00 H new ATOM 0 HG13 VAL A 56 5.942 3.034 -8.067 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.341 4.612 -5.960 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.075 5.231 -7.607 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.568 6.197 -6.201 1.00 1.00 H new ATOM 893 N GLU A 57 3.718 7.146 -6.049 1.00 1.00 N ATOM 894 CA GLU A 57 3.857 8.510 -5.473 1.00 1.00 C ATOM 895 C GLU A 57 4.219 8.492 -3.967 1.00 1.00 C ATOM 896 O GLU A 57 4.859 9.418 -3.469 1.00 1.00 O ATOM 897 CB GLU A 57 2.559 9.320 -5.705 1.00 1.00 C ATOM 898 CG GLU A 57 2.540 10.111 -7.025 1.00 1.00 C ATOM 899 CD GLU A 57 3.652 11.161 -7.104 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.685 12.071 -6.243 1.00 1.00 O ATOM 901 OE2 GLU A 57 4.517 11.079 -8.008 1.00 1.00 O ATOM 0 H GLU A 57 3.146 6.527 -5.475 1.00 1.00 H new ATOM 0 HA GLU A 57 4.687 8.992 -5.990 1.00 1.00 H new ATOM 0 HB2 GLU A 57 1.710 8.637 -5.691 1.00 1.00 H new ATOM 0 HB3 GLU A 57 2.424 10.014 -4.876 1.00 1.00 H new ATOM 0 HG2 GLU A 57 2.641 9.418 -7.860 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.574 10.603 -7.134 1.00 1.00 H new ATOM 908 N THR A 58 3.847 7.424 -3.250 1.00 1.00 N ATOM 909 CA THR A 58 3.943 7.232 -1.784 1.00 1.00 C ATOM 910 C THR A 58 4.748 5.991 -1.384 1.00 1.00 C ATOM 911 O THR A 58 5.267 5.250 -2.209 1.00 1.00 O ATOM 912 CB THR A 58 2.535 7.172 -1.137 1.00 1.00 C ATOM 913 OG1 THR A 58 1.664 6.273 -1.803 1.00 1.00 O ATOM 914 CG2 THR A 58 1.886 8.552 -1.123 1.00 1.00 C ATOM 0 H THR A 58 3.440 6.607 -3.706 1.00 1.00 H new ATOM 0 HA THR A 58 4.484 8.101 -1.408 1.00 1.00 H new ATOM 0 HB THR A 58 2.688 6.813 -0.119 1.00 1.00 H new ATOM 0 HG1 THR A 58 0.792 6.271 -1.356 1.00 1.00 H new ATOM 0 HG21 THR A 58 0.899 8.485 -0.665 1.00 1.00 H new ATOM 0 HG22 THR A 58 2.507 9.240 -0.549 1.00 1.00 H new ATOM 0 HG23 THR A 58 1.787 8.918 -2.145 1.00 1.00 H new ATOM 922 N VAL A 59 4.902 5.787 -0.076 1.00 1.00 N ATOM 923 CA VAL A 59 5.464 4.583 0.589 1.00 1.00 C ATOM 924 C VAL A 59 4.345 3.574 0.978 1.00 1.00 C ATOM 925 O VAL A 59 3.177 3.966 1.069 1.00 1.00 O ATOM 926 CB VAL A 59 6.341 4.955 1.827 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.840 4.942 1.477 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.996 6.322 2.435 1.00 1.00 C ATOM 0 H VAL A 59 4.624 6.496 0.602 1.00 1.00 H new ATOM 0 HA VAL A 59 6.117 4.096 -0.135 1.00 1.00 H new ATOM 0 HB VAL A 59 6.118 4.189 2.569 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.422 5.205 2.360 1.00 1.00 H new ATOM 0 HG12 VAL A 59 8.126 3.946 1.137 1.00 1.00 H new ATOM 0 HG13 VAL A 59 8.035 5.665 0.685 1.00 1.00 H new ATOM 0 HG21 VAL A 59 6.644 6.514 3.290 1.00 1.00 H new ATOM 0 HG22 VAL A 59 6.143 7.101 1.686 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.956 6.323 2.761 1.00 1.00 H new ATOM 938 N PRO A 60 4.672 2.283 1.233 1.00 1.00 N ATOM 939 CA PRO A 60 6.022 1.687 1.225 1.00 1.00 C ATOM 940 C PRO A 60 6.651 1.503 -0.180 1.00 1.00 C ATOM 941 O PRO A 60 5.987 1.620 -1.210 1.00 1.00 O ATOM 942 CB PRO A 60 5.859 0.366 1.981 1.00 1.00 C ATOM 943 CG PRO A 60 4.435 -0.067 1.632 1.00 1.00 C ATOM 944 CD PRO A 60 3.673 1.247 1.494 1.00 1.00 C ATOM 0 HA PRO A 60 6.738 2.359 1.698 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.594 -0.373 1.662 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.987 0.499 3.055 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.408 -0.643 0.707 1.00 1.00 H new ATOM 0 HG3 PRO A 60 4.007 -0.697 2.412 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.950 1.192 0.680 1.00 1.00 H new ATOM 0 HD3 PRO A 60 3.114 1.468 2.403 1.00 1.00 H new ATOM 952 N GLN A 61 7.966 1.248 -0.195 1.00 1.00 N ATOM 953 CA GLN A 61 8.830 1.036 -1.367 1.00 1.00 C ATOM 954 C GLN A 61 9.825 -0.127 -1.118 1.00 1.00 C ATOM 955 O GLN A 61 10.981 0.068 -0.736 1.00 1.00 O ATOM 956 CB GLN A 61 9.502 2.365 -1.805 1.00 1.00 C ATOM 957 CG GLN A 61 8.526 3.416 -2.389 1.00 1.00 C ATOM 958 CD GLN A 61 7.678 2.886 -3.552 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.029 1.974 -4.279 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.505 3.393 -3.797 1.00 1.00 N ATOM 0 H GLN A 61 8.494 1.179 0.675 1.00 1.00 H new ATOM 0 HA GLN A 61 8.219 0.722 -2.213 1.00 1.00 H new ATOM 0 HB2 GLN A 61 10.012 2.800 -0.946 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.266 2.143 -2.551 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.864 3.765 -1.597 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.097 4.280 -2.730 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.151 4.160 -3.225 1.00 1.00 H new ATOM 0 HE22 GLN A 61 5.939 3.024 -4.561 1.00 1.00 H new ATOM 969 N ILE A 62 9.331 -1.357 -1.301 1.00 1.00 N ATOM 970 CA ILE A 62 10.035 -2.653 -1.143 1.00 1.00 C ATOM 971 C ILE A 62 10.209 -3.424 -2.473 1.00 1.00 C ATOM 972 O ILE A 62 9.419 -3.312 -3.416 1.00 1.00 O ATOM 973 CB ILE A 62 9.352 -3.482 -0.009 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.726 -2.850 1.357 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.690 -4.992 -0.026 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.981 -3.414 2.565 1.00 1.00 C ATOM 0 H ILE A 62 8.360 -1.492 -1.584 1.00 1.00 H new ATOM 0 HA ILE A 62 11.061 -2.454 -0.835 1.00 1.00 H new ATOM 0 HB ILE A 62 8.277 -3.437 -0.181 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.796 -2.981 1.518 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.540 -1.777 1.305 1.00 1.00 H new ATOM 0 HG21 ILE A 62 9.174 -5.490 0.795 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.369 -5.426 -0.973 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.766 -5.125 0.088 1.00 1.00 H new ATOM 0 HD11 ILE A 62 9.316 -2.905 3.469 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.910 -3.259 2.437 1.00 1.00 H new ATOM 0 HD13 ILE A 62 9.185 -4.481 2.653 1.00 1.00 H new ATOM 988 N PHE A 63 11.271 -4.235 -2.529 1.00 1.00 N ATOM 989 CA PHE A 63 11.726 -5.019 -3.686 1.00 1.00 C ATOM 990 C PHE A 63 12.047 -6.467 -3.235 1.00 1.00 C ATOM 991 O PHE A 63 13.054 -6.698 -2.569 1.00 1.00 O ATOM 992 CB PHE A 63 12.973 -4.346 -4.309 1.00 1.00 C ATOM 993 CG PHE A 63 12.750 -3.016 -5.024 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.509 -1.850 -4.257 1.00 1.00 C ATOM 995 CD2 PHE A 63 12.925 -2.885 -6.425 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.420 -0.580 -4.865 1.00 1.00 C ATOM 997 CE2 PHE A 63 12.861 -1.610 -7.036 1.00 1.00 C ATOM 998 CZ PHE A 63 12.603 -0.458 -6.257 1.00 1.00 C ATOM 0 H PHE A 63 11.874 -4.371 -1.718 1.00 1.00 H new ATOM 0 HA PHE A 63 10.941 -5.057 -4.441 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.705 -4.188 -3.517 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.417 -5.044 -5.019 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.391 -1.935 -3.187 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.108 -3.762 -7.028 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.213 0.295 -4.266 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.010 -1.516 -8.102 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.546 0.512 -6.728 1.00 1.00 H new ATOM 1008 N VAL A 64 11.183 -7.440 -3.544 1.00 1.00 N ATOM 1009 CA VAL A 64 11.361 -8.891 -3.268 1.00 1.00 C ATOM 1010 C VAL A 64 12.089 -9.554 -4.447 1.00 1.00 C ATOM 1011 O VAL A 64 11.690 -9.415 -5.592 1.00 1.00 O ATOM 1012 CB VAL A 64 10.024 -9.620 -2.973 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.270 -11.100 -2.637 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.285 -8.992 -1.788 1.00 1.00 C ATOM 0 H VAL A 64 10.299 -7.241 -4.013 1.00 1.00 H new ATOM 0 HA VAL A 64 11.963 -8.978 -2.363 1.00 1.00 H new ATOM 0 HB VAL A 64 9.418 -9.527 -3.874 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.318 -11.590 -2.434 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.757 -11.589 -3.481 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.910 -11.172 -1.758 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.354 -9.531 -1.613 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.910 -9.050 -0.897 1.00 1.00 H new ATOM 0 HG23 VAL A 64 9.064 -7.948 -2.009 1.00 1.00 H new ATOM 1024 N ASP A 65 13.209 -10.222 -4.155 1.00 1.00 N ATOM 1025 CA ASP A 65 14.190 -10.787 -5.096 1.00 1.00 C ATOM 1026 C ASP A 65 14.486 -9.846 -6.309 1.00 1.00 C ATOM 1027 O ASP A 65 14.529 -10.274 -7.468 1.00 1.00 O ATOM 1028 CB ASP A 65 14.041 -12.308 -5.363 1.00 1.00 C ATOM 1029 CG ASP A 65 13.054 -13.061 -4.453 1.00 1.00 C ATOM 1030 OD1 ASP A 65 13.371 -13.221 -3.264 1.00 1.00 O ATOM 1031 OD2 ASP A 65 11.993 -13.546 -4.952 1.00 1.00 O ATOM 0 H ASP A 65 13.476 -10.396 -3.186 1.00 1.00 H new ATOM 0 HA ASP A 65 15.150 -10.796 -4.579 1.00 1.00 H new ATOM 0 HB2 ASP A 65 13.727 -12.446 -6.398 1.00 1.00 H new ATOM 0 HB3 ASP A 65 15.022 -12.772 -5.263 1.00 1.00 H new ATOM 1036 N GLN A 66 14.693 -8.554 -5.991 1.00 1.00 N ATOM 1037 CA GLN A 66 14.951 -7.381 -6.864 1.00 1.00 C ATOM 1038 C GLN A 66 13.763 -6.842 -7.727 1.00 1.00 C ATOM 1039 O GLN A 66 13.936 -5.879 -8.479 1.00 1.00 O ATOM 1040 CB GLN A 66 16.233 -7.610 -7.696 1.00 1.00 C ATOM 1041 CG GLN A 66 17.053 -6.322 -7.863 1.00 1.00 C ATOM 1042 CD GLN A 66 18.028 -6.436 -9.023 1.00 1.00 C ATOM 1043 OE1 GLN A 66 19.039 -7.113 -8.952 1.00 1.00 O ATOM 1044 NE2 GLN A 66 17.748 -5.852 -10.160 1.00 1.00 N ATOM 0 H GLN A 66 14.684 -8.270 -5.011 1.00 1.00 H new ATOM 0 HA GLN A 66 15.095 -6.556 -6.166 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.847 -8.370 -7.213 1.00 1.00 H new ATOM 0 HB3 GLN A 66 15.962 -7.997 -8.679 1.00 1.00 H new ATOM 0 HG2 GLN A 66 16.382 -5.480 -8.031 1.00 1.00 H new ATOM 0 HG3 GLN A 66 17.601 -6.115 -6.944 1.00 1.00 H new ATOM 0 HE21 GLN A 66 16.908 -5.280 -10.246 1.00 1.00 H new ATOM 0 HE22 GLN A 66 18.370 -5.969 -10.960 1.00 1.00 H new ATOM 1053 N GLN A 67 12.558 -7.402 -7.577 1.00 1.00 N ATOM 1054 CA GLN A 67 11.273 -6.970 -8.182 1.00 1.00 C ATOM 1055 C GLN A 67 10.458 -6.104 -7.198 1.00 1.00 C ATOM 1056 O GLN A 67 10.229 -6.517 -6.057 1.00 1.00 O ATOM 1057 CB GLN A 67 10.488 -8.245 -8.576 1.00 1.00 C ATOM 1058 CG GLN A 67 8.980 -8.066 -8.850 1.00 1.00 C ATOM 1059 CD GLN A 67 8.278 -9.416 -8.979 1.00 1.00 C ATOM 1060 OE1 GLN A 67 8.083 -9.955 -10.056 1.00 1.00 O ATOM 1061 NE2 GLN A 67 7.891 -10.056 -7.904 1.00 1.00 N ATOM 0 H GLN A 67 12.436 -8.227 -6.990 1.00 1.00 H new ATOM 0 HA GLN A 67 11.462 -6.354 -9.061 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.949 -8.668 -9.468 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.605 -8.978 -7.778 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.526 -7.493 -8.041 1.00 1.00 H new ATOM 0 HG3 GLN A 67 8.840 -7.491 -9.765 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.035 -9.641 -6.984 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.445 -10.970 -7.987 1.00 1.00 H new ATOM 1070 N HIS A 68 9.929 -4.947 -7.636 1.00 1.00 N ATOM 1071 CA HIS A 68 9.051 -4.076 -6.822 1.00 1.00 C ATOM 1072 C HIS A 68 7.762 -4.788 -6.342 1.00 1.00 C ATOM 1073 O HIS A 68 6.818 -4.950 -7.113 1.00 1.00 O ATOM 1074 CB HIS A 68 8.713 -2.784 -7.596 1.00 1.00 C ATOM 1075 CG HIS A 68 7.795 -1.837 -6.836 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.424 -1.974 -6.674 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.179 -0.727 -6.139 1.00 1.00 C ATOM 1078 CE1 HIS A 68 5.984 -0.940 -5.927 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.039 -0.174 -5.593 1.00 1.00 N ATOM 0 H HIS A 68 10.099 -4.584 -8.574 1.00 1.00 H new ATOM 0 HA HIS A 68 9.608 -3.820 -5.921 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.639 -2.262 -7.837 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.242 -3.051 -8.542 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.187 -0.352 -6.035 1.00 1.00 H new ATOM 0 HE1 HIS A 68 4.958 -0.758 -5.645 1.00 1.00 H new ATOM 0 HE2 HIS A 68 7.002 0.675 -5.029 1.00 1.00 H new ATOM 1088 N ILE A 69 7.709 -5.103 -5.045 1.00 1.00 N ATOM 1089 CA ILE A 69 6.547 -5.589 -4.271 1.00 1.00 C ATOM 1090 C ILE A 69 6.364 -4.582 -3.133 1.00 1.00 C ATOM 1091 O ILE A 69 6.984 -4.719 -2.079 1.00 1.00 O ATOM 1092 CB ILE A 69 6.709 -7.054 -3.770 1.00 1.00 C ATOM 1093 CG1 ILE A 69 6.845 -8.083 -4.924 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.565 -7.482 -2.815 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.636 -8.195 -5.872 1.00 1.00 C ATOM 0 H ILE A 69 8.538 -5.021 -4.457 1.00 1.00 H new ATOM 0 HA ILE A 69 5.656 -5.642 -4.897 1.00 1.00 H new ATOM 0 HB ILE A 69 7.645 -7.057 -3.212 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.723 -7.823 -5.515 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.033 -9.065 -4.489 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.725 -8.511 -2.494 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.555 -6.828 -1.943 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.610 -7.408 -3.335 1.00 1.00 H new ATOM 0 HD11 ILE A 69 5.842 -8.942 -6.638 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.754 -8.492 -5.304 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.455 -7.230 -6.346 1.00 1.00 H new ATOM 1107 N GLY A 70 5.565 -3.537 -3.395 1.00 1.00 N ATOM 1108 CA GLY A 70 5.334 -2.315 -2.599 1.00 1.00 C ATOM 1109 C GLY A 70 5.793 -2.306 -1.130 1.00 1.00 C ATOM 1110 O GLY A 70 6.539 -1.423 -0.711 1.00 1.00 O ATOM 0 H GLY A 70 5.010 -3.522 -4.251 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.829 -1.488 -3.108 1.00 1.00 H new ATOM 0 HA3 GLY A 70 4.265 -2.105 -2.615 1.00 1.00 H new ATOM 1114 N GLY A 71 5.321 -3.275 -0.345 1.00 1.00 N ATOM 1115 CA GLY A 71 5.532 -3.447 1.097 1.00 1.00 C ATOM 1116 C GLY A 71 4.216 -3.706 1.829 1.00 1.00 C ATOM 1117 O GLY A 71 3.320 -4.307 1.251 1.00 1.00 O ATOM 0 H GLY A 71 4.736 -4.018 -0.728 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.215 -4.279 1.269 1.00 1.00 H new ATOM 0 HA3 GLY A 71 6.007 -2.555 1.505 1.00 1.00 H new ATOM 1121 N TYR A 72 4.054 -3.194 3.054 1.00 1.00 N ATOM 1122 CA TYR A 72 2.894 -3.342 3.969 1.00 1.00 C ATOM 1123 C TYR A 72 1.498 -3.517 3.287 1.00 1.00 C ATOM 1124 O TYR A 72 0.752 -4.413 3.675 1.00 1.00 O ATOM 1125 CB TYR A 72 2.978 -2.163 4.976 1.00 1.00 C ATOM 1126 CG TYR A 72 1.706 -1.714 5.657 1.00 1.00 C ATOM 1127 CD1 TYR A 72 1.057 -2.561 6.582 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.183 -0.425 5.392 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -0.137 -2.134 7.201 1.00 1.00 C ATOM 1130 CE2 TYR A 72 -0.009 0.000 6.015 1.00 1.00 C ATOM 1131 CZ TYR A 72 -0.688 -0.865 6.902 1.00 1.00 C ATOM 1132 OH TYR A 72 -1.877 -0.484 7.435 1.00 1.00 O ATOM 0 H TYR A 72 4.783 -2.618 3.474 1.00 1.00 H new ATOM 0 HA TYR A 72 2.968 -4.299 4.486 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.692 -2.438 5.752 1.00 1.00 H new ATOM 0 HB3 TYR A 72 3.395 -1.304 4.450 1.00 1.00 H new ATOM 0 HD1 TYR A 72 1.472 -3.530 6.814 1.00 1.00 H new ATOM 0 HD2 TYR A 72 1.699 0.235 4.710 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -0.634 -2.781 7.909 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -0.402 0.986 5.814 1.00 1.00 H new ATOM 0 HH TYR A 72 -2.102 0.417 7.123 1.00 1.00 H new ATOM 1142 N THR A 73 1.180 -2.745 2.235 1.00 1.00 N ATOM 1143 CA THR A 73 0.009 -2.911 1.326 1.00 1.00 C ATOM 1144 C THR A 73 0.010 -4.214 0.480 1.00 1.00 C ATOM 1145 O THR A 73 -0.833 -5.084 0.681 1.00 1.00 O ATOM 1146 CB THR A 73 -0.162 -1.659 0.425 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.172 -1.831 -0.548 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.091 -1.113 -0.279 1.00 1.00 C ATOM 0 H THR A 73 1.755 -1.944 1.973 1.00 1.00 H new ATOM 0 HA THR A 73 -0.854 -3.012 1.985 1.00 1.00 H new ATOM 0 HB THR A 73 -0.437 -0.908 1.166 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.246 -1.018 -1.090 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.823 -0.239 -0.873 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.834 -0.831 0.467 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.506 -1.882 -0.931 1.00 1.00 H new ATOM 1156 N ASP A 74 0.991 -4.380 -0.415 1.00 1.00 N ATOM 1157 CA ASP A 74 1.263 -5.547 -1.288 1.00 1.00 C ATOM 1158 C ASP A 74 1.548 -6.856 -0.523 1.00 1.00 C ATOM 1159 O ASP A 74 0.920 -7.889 -0.729 1.00 1.00 O ATOM 1160 CB ASP A 74 2.471 -5.174 -2.182 1.00 1.00 C ATOM 1161 CG ASP A 74 2.049 -4.590 -3.525 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.756 -5.390 -4.443 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.002 -3.344 -3.643 1.00 1.00 O ATOM 0 H ASP A 74 1.679 -3.642 -0.566 1.00 1.00 H new ATOM 0 HA ASP A 74 0.365 -5.753 -1.871 1.00 1.00 H new ATOM 0 HB2 ASP A 74 3.097 -4.453 -1.657 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.080 -6.062 -2.352 1.00 1.00 H new ATOM 1168 N PHE A 75 2.534 -6.805 0.372 1.00 1.00 N ATOM 1169 CA PHE A 75 3.042 -7.853 1.267 1.00 1.00 C ATOM 1170 C PHE A 75 1.933 -8.539 2.102 1.00 1.00 C ATOM 1171 O PHE A 75 1.939 -9.760 2.278 1.00 1.00 O ATOM 1172 CB PHE A 75 4.113 -7.199 2.166 1.00 1.00 C ATOM 1173 CG PHE A 75 5.264 -8.072 2.597 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.315 -8.319 1.681 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.364 -8.520 3.932 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.481 -8.982 2.109 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.536 -9.180 4.360 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.595 -9.394 3.452 1.00 1.00 C ATOM 0 H PHE A 75 3.054 -5.937 0.504 1.00 1.00 H new ATOM 0 HA PHE A 75 3.470 -8.660 0.672 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.520 -6.337 1.637 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.620 -6.820 3.061 1.00 1.00 H new ATOM 0 HD1 PHE A 75 6.222 -7.999 0.654 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.549 -8.359 4.622 1.00 1.00 H new ATOM 0 HE1 PHE A 75 8.284 -9.174 1.412 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.622 -9.521 5.381 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.500 -9.877 3.789 1.00 1.00 H new ATOM 1188 N ALA A 76 0.957 -7.765 2.598 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.259 -8.255 3.250 1.00 1.00 C ATOM 1190 C ALA A 76 -1.196 -9.022 2.289 1.00 1.00 C ATOM 1191 O ALA A 76 -1.603 -10.140 2.624 1.00 1.00 O ATOM 1192 CB ALA A 76 -0.966 -7.086 3.921 1.00 1.00 C ATOM 0 H ALA A 76 0.997 -6.747 2.553 1.00 1.00 H new ATOM 0 HA ALA A 76 0.030 -8.986 4.005 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.873 -7.441 4.409 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.305 -6.639 4.664 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.226 -6.339 3.171 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.508 -8.455 1.107 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.305 -9.106 0.044 1.00 1.00 C ATOM 1200 C ALA A 77 -1.662 -10.433 -0.448 1.00 1.00 C ATOM 1201 O ALA A 77 -2.348 -11.453 -0.465 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.517 -8.101 -1.105 1.00 1.00 C ATOM 0 H ALA A 77 -1.208 -7.513 0.858 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.275 -9.390 0.453 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -3.104 -8.570 -1.895 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.048 -7.226 -0.730 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.550 -7.795 -1.504 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.337 -10.467 -0.674 1.00 1.00 N ATOM 1209 CA TRP A 78 0.474 -11.668 -1.018 1.00 1.00 C ATOM 1210 C TRP A 78 0.347 -12.812 0.014 1.00 1.00 C ATOM 1211 O TRP A 78 0.031 -13.945 -0.358 1.00 1.00 O ATOM 1212 CB TRP A 78 1.949 -11.267 -1.241 1.00 1.00 C ATOM 1213 CG TRP A 78 2.894 -12.399 -1.525 1.00 1.00 C ATOM 1214 CD1 TRP A 78 2.860 -13.207 -2.609 1.00 1.00 C ATOM 1215 CD2 TRP A 78 3.965 -12.920 -0.678 1.00 1.00 C ATOM 1216 NE1 TRP A 78 3.812 -14.197 -2.487 1.00 1.00 N ATOM 1217 CE2 TRP A 78 4.526 -14.074 -1.322 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.514 -12.561 0.582 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 5.573 -14.833 -0.757 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.551 -13.321 1.169 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.079 -14.456 0.501 1.00 1.00 C ATOM 0 H TRP A 78 0.233 -9.623 -0.621 1.00 1.00 H new ATOM 0 HA TRP A 78 0.070 -12.070 -1.947 1.00 1.00 H new ATOM 0 HB2 TRP A 78 1.994 -10.563 -2.072 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.301 -10.737 -0.356 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.187 -13.094 -3.446 1.00 1.00 H new ATOM 0 HE1 TRP A 78 3.966 -14.931 -3.178 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.133 -11.693 1.100 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 5.978 -15.687 -1.280 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 5.945 -13.036 2.133 1.00 1.00 H new ATOM 0 HH2 TRP A 78 6.870 -15.031 0.959 1.00 1.00 H new ATOM 1232 N VAL A 79 0.606 -12.532 1.306 1.00 1.00 N ATOM 1233 CA VAL A 79 0.441 -13.499 2.418 1.00 1.00 C ATOM 1234 C VAL A 79 -1.012 -13.982 2.569 1.00 1.00 C ATOM 1235 O VAL A 79 -1.217 -15.191 2.654 1.00 1.00 O ATOM 1236 CB VAL A 79 1.010 -12.982 3.761 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.780 -13.990 4.917 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.525 -12.724 3.688 1.00 1.00 C ATOM 0 H VAL A 79 0.940 -11.619 1.614 1.00 1.00 H new ATOM 0 HA VAL A 79 1.041 -14.365 2.139 1.00 1.00 H new ATOM 0 HB VAL A 79 0.476 -12.052 3.955 1.00 1.00 H new ATOM 0 HG11 VAL A 79 1.195 -13.586 5.840 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.289 -14.160 5.044 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.272 -14.933 4.680 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.879 -12.362 4.653 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.040 -13.651 3.436 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.730 -11.975 2.923 1.00 1.00 H new ATOM 1248 N LYS A 80 -2.010 -13.080 2.550 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.457 -13.413 2.568 1.00 1.00 C ATOM 1250 C LYS A 80 -3.889 -14.307 1.384 1.00 1.00 C ATOM 1251 O LYS A 80 -4.429 -15.387 1.612 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.286 -12.124 2.734 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.810 -12.375 2.712 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.631 -11.228 3.349 1.00 1.00 C ATOM 1255 CE LYS A 80 -6.766 -11.275 4.884 1.00 1.00 C ATOM 1256 NZ LYS A 80 -7.511 -12.466 5.363 1.00 1.00 N ATOM 0 H LYS A 80 -1.835 -12.076 2.521 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.661 -14.038 3.438 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -4.017 -11.645 3.675 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.027 -11.428 1.936 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -6.133 -12.514 1.680 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -6.026 -13.303 3.241 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -6.171 -10.279 3.072 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -7.631 -11.237 2.914 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -5.772 -11.271 5.331 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -7.274 -10.373 5.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -8.006 -12.233 6.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -8.205 -12.754 4.644 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -6.845 -13.246 5.534 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.570 -13.928 0.139 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.739 -14.752 -1.092 1.00 1.00 C ATOM 1272 C GLU A 81 -2.942 -16.089 -1.117 1.00 1.00 C ATOM 1273 O GLU A 81 -3.227 -16.920 -1.976 1.00 1.00 O ATOM 1274 CB GLU A 81 -3.425 -13.926 -2.372 1.00 1.00 C ATOM 1275 CG GLU A 81 -4.652 -13.365 -3.102 1.00 1.00 C ATOM 1276 CD GLU A 81 -5.416 -12.271 -2.355 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -6.290 -12.587 -1.512 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -5.316 -11.078 -2.724 1.00 1.00 O ATOM 0 H GLU A 81 -3.173 -13.010 -0.059 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.791 -15.038 -1.075 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.773 -13.096 -2.099 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.866 -14.556 -3.064 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -4.331 -12.968 -4.065 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -5.338 -14.187 -3.309 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.983 -16.339 -0.205 1.00 1.00 N ATOM 1286 CA ASN A 82 -1.296 -17.632 -0.012 1.00 1.00 C ATOM 1287 C ASN A 82 -1.921 -18.448 1.149 1.00 1.00 C ATOM 1288 O ASN A 82 -2.226 -19.623 0.967 1.00 1.00 O ATOM 1289 CB ASN A 82 0.229 -17.395 0.163 1.00 1.00 C ATOM 1290 CG ASN A 82 1.019 -17.263 -1.138 1.00 1.00 C ATOM 1291 OD1 ASN A 82 1.984 -17.973 -1.392 1.00 1.00 O ATOM 1292 ND2 ASN A 82 0.701 -16.333 -1.993 1.00 1.00 N ATOM 0 H ASN A 82 -1.653 -15.621 0.441 1.00 1.00 H new ATOM 0 HA ASN A 82 -1.435 -18.244 -0.903 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.375 -16.489 0.752 1.00 1.00 H new ATOM 0 HB3 ASN A 82 0.645 -18.221 0.740 1.00 1.00 H new ATOM 0 HD21 ASN A 82 1.250 -16.213 -2.844 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -0.097 -15.725 -1.811 1.00 1.00 H new ATOM 1299 N LEU A 83 -2.059 -17.869 2.349 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.486 -18.531 3.599 1.00 1.00 C ATOM 1301 C LEU A 83 -4.014 -18.628 3.839 1.00 1.00 C ATOM 1302 O LEU A 83 -4.436 -19.599 4.465 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.749 -17.879 4.798 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.197 -17.837 4.714 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.395 -17.400 6.057 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.436 -19.169 4.303 1.00 1.00 C ATOM 0 H LEU A 83 -1.867 -16.877 2.486 1.00 1.00 H new ATOM 0 HA LEU A 83 -2.198 -19.577 3.493 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.113 -16.858 4.909 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -2.028 -18.417 5.704 1.00 1.00 H new ATOM 0 HG LEU A 83 0.037 -17.115 3.932 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.482 -17.375 5.984 1.00 1.00 H new ATOM 0 HD12 LEU A 83 0.025 -16.407 6.312 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.099 -18.107 6.832 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.520 -19.061 4.266 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.172 -19.937 5.030 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.067 -19.459 3.319 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.825 -17.679 3.341 1.00 1.00 N ATOM 1319 CA ASP A 84 -6.312 -17.674 3.376 1.00 1.00 C ATOM 1320 C ASP A 84 -6.984 -18.087 2.036 1.00 1.00 C ATOM 1321 O ASP A 84 -8.210 -18.000 1.906 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.831 -16.313 3.878 1.00 1.00 C ATOM 1323 CG ASP A 84 -6.321 -15.925 5.274 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -6.303 -16.788 6.178 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.959 -14.733 5.480 1.00 1.00 O ATOM 0 H ASP A 84 -4.451 -16.850 2.879 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.604 -18.451 4.083 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.538 -15.540 3.168 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.921 -16.335 3.894 1.00 1.00 H new ATOM 1330 N ALA A 85 -6.203 -18.536 1.041 1.00 1.00 N ATOM 1331 CA ALA A 85 -6.644 -19.092 -0.249 1.00 1.00 C ATOM 1332 C ALA A 85 -7.617 -20.296 -0.107 1.00 1.00 C ATOM 1333 O ALA A 85 -7.267 -21.325 0.505 1.00 1.00 O ATOM 1334 CB ALA A 85 -5.376 -19.422 -1.069 1.00 1.00 C ATOM 1335 OXT ALA A 85 -8.726 -20.196 -0.689 1.00 1.00 O ATOM 0 H ALA A 85 -5.186 -18.520 1.120 1.00 1.00 H new ATOM 0 HA ALA A 85 -7.243 -18.352 -0.779 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -5.665 -19.837 -2.034 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -4.796 -18.512 -1.224 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.771 -20.149 -0.527 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.784 2.054 1.701 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.607 2.796 1.154 1.00 1.00 C ATOM 1579 C GLU B 144 -0.639 4.334 1.430 1.00 1.00 C ATOM 1580 O GLU B 144 -1.625 5.005 1.116 1.00 1.00 O ATOM 1581 CB GLU B 144 -0.494 2.539 -0.371 1.00 1.00 C ATOM 1582 CG GLU B 144 0.873 2.972 -0.951 1.00 1.00 C ATOM 1583 CD GLU B 144 1.041 2.838 -2.481 1.00 1.00 C ATOM 1584 OE1 GLU B 144 0.059 2.528 -3.195 1.00 1.00 O ATOM 1585 OE2 GLU B 144 2.156 3.153 -2.974 1.00 1.00 O ATOM 0 HA GLU B 144 0.268 2.413 1.679 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -0.648 1.478 -0.569 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -1.289 3.078 -0.886 1.00 1.00 H new ATOM 0 HG2 GLU B 144 1.046 4.013 -0.678 1.00 1.00 H new ATOM 0 HG3 GLU B 144 1.652 2.382 -0.468 1.00 1.00 H new ATOM 1592 N SER B 145 0.453 4.922 1.961 1.00 1.00 N ATOM 1593 CA SER B 145 0.712 6.383 2.128 1.00 1.00 C ATOM 1594 C SER B 145 2.066 6.748 2.784 1.00 1.00 C ATOM 1595 O SER B 145 2.760 5.888 3.311 1.00 1.00 O ATOM 1596 CB SER B 145 -0.371 7.068 2.986 1.00 1.00 C ATOM 1597 OG SER B 145 -0.576 8.375 2.471 1.00 1.00 O ATOM 0 H SER B 145 1.231 4.362 2.309 1.00 1.00 H new ATOM 0 HA SER B 145 0.713 6.737 1.097 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.299 6.497 2.956 1.00 1.00 H new ATOM 0 HB3 SER B 145 -0.058 7.114 4.029 1.00 1.00 H new ATOM 0 HG SER B 145 -1.263 8.831 3.000 1.00 1.00 H new ATOM 1603 N GLY B 146 2.469 8.030 2.730 1.00 1.00 N ATOM 1604 CA GLY B 146 3.594 8.634 3.489 1.00 1.00 C ATOM 1605 C GLY B 146 4.536 9.637 2.796 1.00 1.00 C ATOM 1606 O GLY B 146 5.340 10.267 3.482 1.00 1.00 O ATOM 0 H GLY B 146 2.002 8.710 2.130 1.00 1.00 H new ATOM 0 HA2 GLY B 146 3.167 9.136 4.358 1.00 1.00 H new ATOM 0 HA3 GLY B 146 4.209 7.816 3.864 1.00 1.00 H new ATOM 1610 N ALA B 147 4.517 9.752 1.456 1.00 1.00 N ATOM 1611 CA ALA B 147 5.207 10.811 0.670 1.00 1.00 C ATOM 1612 C ALA B 147 6.720 11.011 1.032 1.00 1.00 C ATOM 1613 O ALA B 147 7.241 12.132 1.021 1.00 1.00 O ATOM 1614 CB ALA B 147 4.346 12.087 0.742 1.00 1.00 C ATOM 0 H ALA B 147 4.008 9.095 0.865 1.00 1.00 H new ATOM 0 HA ALA B 147 5.282 10.496 -0.371 1.00 1.00 H new ATOM 0 HB1 ALA B 147 4.827 12.883 0.174 1.00 1.00 H new ATOM 0 HB2 ALA B 147 3.361 11.885 0.321 1.00 1.00 H new ATOM 0 HB3 ALA B 147 4.240 12.396 1.782 1.00 1.00 H new ATOM 1620 N CYS B 148 7.426 9.928 1.375 1.00 1.00 N ATOM 1621 CA CYS B 148 8.775 9.907 1.977 1.00 1.00 C ATOM 1622 C CYS B 148 9.934 10.342 1.026 1.00 1.00 C ATOM 1623 O CYS B 148 9.949 10.012 -0.161 1.00 1.00 O ATOM 1624 CB CYS B 148 8.994 8.479 2.548 1.00 1.00 C ATOM 1625 SG CYS B 148 9.700 8.325 4.213 1.00 1.00 S ATOM 0 H CYS B 148 7.056 8.988 1.235 1.00 1.00 H new ATOM 0 HA CYS B 148 8.811 10.663 2.761 1.00 1.00 H new ATOM 0 HB2 CYS B 148 8.032 7.967 2.545 1.00 1.00 H new ATOM 0 HB3 CYS B 148 9.644 7.940 1.859 1.00 1.00 H new ATOM 1630 N LYS B 149 10.940 11.038 1.591 1.00 1.00 N ATOM 1631 CA LYS B 149 12.096 11.753 0.974 1.00 1.00 C ATOM 1632 C LYS B 149 13.002 12.423 2.034 1.00 1.00 C ATOM 1633 O LYS B 149 12.649 12.444 3.211 1.00 1.00 O ATOM 1634 CB LYS B 149 11.601 12.778 -0.089 1.00 1.00 C ATOM 1635 CG LYS B 149 10.695 13.931 0.398 1.00 1.00 C ATOM 1636 CD LYS B 149 10.071 14.777 -0.742 1.00 1.00 C ATOM 1637 CE LYS B 149 11.030 15.739 -1.471 1.00 1.00 C ATOM 1638 NZ LYS B 149 11.524 15.243 -2.778 1.00 1.00 N ATOM 0 H LYS B 149 10.974 11.128 2.606 1.00 1.00 H new ATOM 0 HA LYS B 149 12.712 11.009 0.468 1.00 1.00 H new ATOM 0 HB2 LYS B 149 12.477 13.217 -0.566 1.00 1.00 H new ATOM 0 HB3 LYS B 149 11.061 12.228 -0.860 1.00 1.00 H new ATOM 0 HG2 LYS B 149 9.892 13.515 1.007 1.00 1.00 H new ATOM 0 HG3 LYS B 149 11.278 14.587 1.044 1.00 1.00 H new ATOM 0 HD2 LYS B 149 9.640 14.098 -1.478 1.00 1.00 H new ATOM 0 HD3 LYS B 149 9.249 15.360 -0.327 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.521 16.690 -1.627 1.00 1.00 H new ATOM 0 HE3 LYS B 149 11.885 15.937 -0.825 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 12.391 15.755 -3.039 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 11.731 14.226 -2.708 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 10.797 15.399 -3.506 1.00 1.00 H new ATOM 1652 N ILE B 150 14.152 12.963 1.602 1.00 1.00 N ATOM 1653 CA ILE B 150 15.122 13.813 2.358 1.00 1.00 C ATOM 1654 C ILE B 150 14.459 14.869 3.272 1.00 1.00 C ATOM 1655 O ILE B 150 14.693 14.811 4.496 1.00 1.00 O ATOM 1656 CB ILE B 150 16.182 14.411 1.380 1.00 1.00 C ATOM 1657 CG1 ILE B 150 17.408 15.046 2.095 1.00 1.00 C ATOM 1658 CG2 ILE B 150 15.568 15.439 0.407 1.00 1.00 C ATOM 1659 CD1 ILE B 150 18.330 14.030 2.783 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.619 15.675 2.818 1.00 1.00 O ATOM 0 H ILE B 150 14.464 12.813 0.643 1.00 1.00 H new ATOM 0 HA ILE B 150 15.642 13.164 3.063 1.00 1.00 H new ATOM 0 HB ILE B 150 16.540 13.551 0.814 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.988 15.610 1.365 1.00 1.00 H new ATOM 0 HG13 ILE B 150 17.052 15.759 2.839 1.00 1.00 H new ATOM 0 HG21 ILE B 150 16.345 15.826 -0.252 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.793 14.958 -0.189 1.00 1.00 H new ATOM 0 HG23 ILE B 150 15.131 16.261 0.974 1.00 1.00 H new ATOM 0 HD11 ILE B 150 19.160 14.554 3.257 1.00 1.00 H new ATOM 0 HD12 ILE B 150 17.768 13.482 3.539 1.00 1.00 H new ATOM 0 HD13 ILE B 150 18.719 13.331 2.042 1.00 1.00 H new