USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 549 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 Single : A 21 LYS NZ :NH3+ 138:sc= 2.81 (180deg=0.417) USER MOD Single : A 22 THR OG1 : rot 23:sc= 1.09 USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= 2.41 (180deg=-0.446) USER MOD Single : A 31 SER OG : rot -67:sc= 0.301 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -0.354 (180deg=-2.76!) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= -0.231 (180deg=-3.67!) USER MOD Single : A 41 GLN : amide:sc= 0.0738 X(o=0.074,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -1.27! (180deg=-2.19!) USER MOD Single : A 47 GLN : amide:sc= 0.937 K(o=0.94,f=-0.23) USER MOD Single : A 55 THR OG1 : rot 116:sc= 1.39 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 59 MET CE :methyl -147:sc= -1.34 (180deg=-3.22!) USER MOD Single : A 61 TYR OH : rot -8:sc= -2.13! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.6!) USER MOD Single : A 78 GLN : amide:sc= 1.05 K(o=1.1,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.932 -32.177 3.230 1.00 0.00 C ATOM 2 C LEU A 20 -9.769 -31.475 4.329 1.00 0.00 C ATOM 3 O LEU A 20 -10.831 -30.937 4.095 1.00 0.00 O ATOM 4 CB LEU A 20 -9.645 -32.122 1.845 1.00 0.00 C ATOM 5 CG LEU A 20 -9.784 -30.653 1.344 1.00 0.00 C ATOM 6 CD1 LEU A 20 -8.437 -30.122 0.829 1.00 0.00 C ATOM 7 CD2 LEU A 20 -10.810 -30.609 0.213 1.00 0.00 C ATOM 0 HB2 LEU A 20 -9.080 -32.706 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.632 -32.578 1.922 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.108 -30.027 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.558 -29.095 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.703 -30.150 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.093 -30.744 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.914 -29.584 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.477 -31.247 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.772 -30.965 0.581 1.00 0.00 H new ATOM 19 N LYS A 21 -9.265 -31.519 5.532 1.00 0.00 N ATOM 20 CA LYS A 21 -9.934 -30.809 6.669 1.00 0.00 C ATOM 21 C LYS A 21 -8.845 -29.812 7.122 1.00 0.00 C ATOM 22 O LYS A 21 -8.349 -29.796 8.233 1.00 0.00 O ATOM 23 CB LYS A 21 -10.296 -31.852 7.747 1.00 0.00 C ATOM 24 CG LYS A 21 -11.683 -31.483 8.393 1.00 0.00 C ATOM 25 CD LYS A 21 -11.621 -30.083 9.110 1.00 0.00 C ATOM 26 CE LYS A 21 -12.575 -30.043 10.318 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.385 -28.733 10.998 1.00 0.00 N ATOM 0 H LYS A 21 -8.412 -32.019 5.782 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.866 -30.296 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.343 -32.847 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.522 -31.881 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.453 -31.466 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.968 -32.251 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.601 -29.883 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.888 -29.296 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.609 -30.160 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.361 -30.864 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.311 -28.347 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.799 -28.864 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.913 -28.071 10.350 1.00 0.00 H new ATOM 41 N THR A 22 -8.516 -28.977 6.170 1.00 0.00 N ATOM 42 CA THR A 22 -7.426 -27.945 6.336 1.00 0.00 C ATOM 43 C THR A 22 -7.980 -26.568 6.645 1.00 0.00 C ATOM 44 O THR A 22 -7.318 -25.563 6.478 1.00 0.00 O ATOM 45 CB THR A 22 -6.572 -27.910 5.034 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.415 -27.831 3.894 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.924 -29.268 4.791 1.00 0.00 C ATOM 0 H THR A 22 -8.966 -28.961 5.255 1.00 0.00 H new ATOM 0 HA THR A 22 -6.808 -28.229 7.188 1.00 0.00 H new ATOM 0 HB THR A 22 -5.877 -27.079 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.283 -27.457 4.154 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.330 -29.230 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.279 -29.519 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.699 -30.028 4.688 1.00 0.00 H new ATOM 55 N GLU A 23 -9.202 -26.606 7.103 1.00 0.00 N ATOM 56 CA GLU A 23 -9.950 -25.404 7.556 1.00 0.00 C ATOM 57 C GLU A 23 -10.838 -25.698 8.790 1.00 0.00 C ATOM 58 O GLU A 23 -11.309 -26.803 9.038 1.00 0.00 O ATOM 59 CB GLU A 23 -10.798 -24.891 6.354 1.00 0.00 C ATOM 60 CG GLU A 23 -11.676 -26.026 5.714 1.00 0.00 C ATOM 61 CD GLU A 23 -10.808 -27.105 5.062 1.00 0.00 C ATOM 62 OE1 GLU A 23 -9.969 -26.762 4.251 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.028 -28.239 5.429 1.00 0.00 O ATOM 0 H GLU A 23 -9.737 -27.471 7.184 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.245 -24.637 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.445 -24.080 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.134 -24.477 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.305 -26.478 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.344 -25.594 4.968 1.00 0.00 H new ATOM 70 N TRP A 24 -11.020 -24.650 9.547 1.00 0.00 N ATOM 71 CA TRP A 24 -11.884 -24.705 10.754 1.00 0.00 C ATOM 72 C TRP A 24 -12.914 -23.570 10.702 1.00 0.00 C ATOM 73 O TRP A 24 -12.819 -22.565 11.385 1.00 0.00 O ATOM 74 CB TRP A 24 -10.927 -24.629 11.946 1.00 0.00 C ATOM 75 CG TRP A 24 -10.160 -25.898 12.060 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.667 -26.821 12.864 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.016 -26.314 11.508 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.785 -27.786 12.771 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.748 -27.578 11.976 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.158 -25.714 10.626 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.618 -28.246 11.563 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.030 -26.383 10.212 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.748 -27.651 10.675 1.00 0.00 C ATOM 0 H TRP A 24 -10.595 -23.739 9.373 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.475 -25.618 10.829 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.242 -23.790 11.821 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.488 -24.449 12.863 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.575 -26.787 13.447 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.893 -28.658 13.288 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.366 -24.720 10.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.412 -29.239 11.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.356 -25.909 9.514 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.859 -28.170 10.347 1.00 0.00 H new ATOM 94 N PRO A 25 -13.900 -23.775 9.859 1.00 0.00 N ATOM 95 CA PRO A 25 -14.971 -22.780 9.637 1.00 0.00 C ATOM 96 C PRO A 25 -16.029 -22.864 10.725 1.00 0.00 C ATOM 97 O PRO A 25 -16.795 -21.944 10.925 1.00 0.00 O ATOM 98 CB PRO A 25 -15.437 -23.144 8.248 1.00 0.00 C ATOM 99 CG PRO A 25 -15.473 -24.683 8.327 1.00 0.00 C ATOM 100 CD PRO A 25 -14.113 -24.987 9.001 1.00 0.00 C ATOM 0 HA PRO A 25 -14.668 -21.734 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.416 -22.722 8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.751 -22.789 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.314 -25.044 8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.555 -25.143 7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.148 -25.902 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.315 -25.111 8.268 1.00 0.00 H new ATOM 108 N GLU A 26 -16.068 -23.952 11.438 1.00 0.00 N ATOM 109 CA GLU A 26 -17.085 -24.102 12.505 1.00 0.00 C ATOM 110 C GLU A 26 -16.617 -23.280 13.712 1.00 0.00 C ATOM 111 O GLU A 26 -17.417 -22.778 14.477 1.00 0.00 O ATOM 112 CB GLU A 26 -17.207 -25.613 12.823 1.00 0.00 C ATOM 113 CG GLU A 26 -15.936 -26.181 13.520 1.00 0.00 C ATOM 114 CD GLU A 26 -14.696 -26.182 12.658 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.033 -25.175 12.684 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.453 -27.169 12.002 1.00 0.00 O ATOM 0 H GLU A 26 -15.436 -24.745 11.325 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.069 -23.737 12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.073 -25.777 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.386 -26.162 11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.738 -25.596 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.140 -27.202 13.843 1.00 0.00 H new ATOM 123 N LEU A 27 -15.328 -23.114 13.877 1.00 0.00 N ATOM 124 CA LEU A 27 -14.811 -22.355 15.038 1.00 0.00 C ATOM 125 C LEU A 27 -14.597 -20.851 14.758 1.00 0.00 C ATOM 126 O LEU A 27 -13.840 -20.166 15.420 1.00 0.00 O ATOM 127 CB LEU A 27 -13.531 -23.137 15.462 1.00 0.00 C ATOM 128 CG LEU A 27 -12.342 -23.142 14.537 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.648 -21.834 14.358 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.334 -24.117 15.123 1.00 0.00 C ATOM 0 H LEU A 27 -14.613 -23.478 13.248 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.530 -22.307 15.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.202 -22.735 16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.820 -24.174 15.633 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.722 -23.410 13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.810 -21.958 13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.347 -21.104 13.949 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.280 -21.483 15.322 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.451 -24.155 14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.046 -23.787 16.121 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.781 -25.109 15.184 1.00 0.00 H new ATOM 142 N VAL A 28 -15.313 -20.376 13.779 1.00 0.00 N ATOM 143 CA VAL A 28 -15.282 -18.908 13.446 1.00 0.00 C ATOM 144 C VAL A 28 -16.039 -18.108 14.531 1.00 0.00 C ATOM 145 O VAL A 28 -16.730 -18.710 15.332 1.00 0.00 O ATOM 146 CB VAL A 28 -15.928 -18.775 12.051 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.218 -17.309 11.655 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.952 -19.331 11.018 1.00 0.00 C ATOM 0 H VAL A 28 -15.925 -20.937 13.186 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.270 -18.503 13.425 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.874 -19.316 12.083 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.672 -17.283 10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.901 -16.865 12.379 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.286 -16.744 11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.389 -19.247 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.021 -18.765 11.055 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.748 -20.379 11.237 1.00 0.00 H new ATOM 158 N GLY A 29 -15.884 -16.806 14.513 1.00 0.00 N ATOM 159 CA GLY A 29 -16.544 -15.887 15.519 1.00 0.00 C ATOM 160 C GLY A 29 -16.346 -16.351 16.967 1.00 0.00 C ATOM 161 O GLY A 29 -17.201 -16.243 17.823 1.00 0.00 O ATOM 0 H GLY A 29 -15.311 -16.319 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.139 -14.881 15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.611 -15.827 15.304 1.00 0.00 H new ATOM 165 N LYS A 30 -15.168 -16.873 17.160 1.00 0.00 N ATOM 166 CA LYS A 30 -14.701 -17.388 18.495 1.00 0.00 C ATOM 167 C LYS A 30 -13.247 -16.977 18.751 1.00 0.00 C ATOM 168 O LYS A 30 -12.644 -16.444 17.850 1.00 0.00 O ATOM 169 CB LYS A 30 -14.780 -18.891 18.489 1.00 0.00 C ATOM 170 CG LYS A 30 -16.234 -19.385 18.395 1.00 0.00 C ATOM 171 CD LYS A 30 -16.120 -20.894 18.142 1.00 0.00 C ATOM 172 CE LYS A 30 -17.438 -21.546 17.737 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.932 -20.972 16.437 1.00 0.00 N ATOM 0 H LYS A 30 -14.474 -16.971 16.419 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.334 -16.969 19.277 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.208 -19.282 17.648 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.321 -19.283 19.396 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.782 -19.178 19.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.769 -18.888 17.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.382 -21.068 17.359 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.747 -21.378 19.044 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.302 -22.623 17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.183 -21.389 18.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.872 -20.550 16.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.271 -20.241 16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.995 -21.728 15.726 1.00 0.00 H new ATOM 187 N SER A 31 -12.722 -17.252 19.912 1.00 0.00 N ATOM 188 CA SER A 31 -11.287 -16.857 20.191 1.00 0.00 C ATOM 189 C SER A 31 -10.297 -17.831 19.742 1.00 0.00 C ATOM 190 O SER A 31 -10.519 -19.011 19.516 1.00 0.00 O ATOM 191 CB SER A 31 -11.071 -16.644 21.686 1.00 0.00 C ATOM 192 OG SER A 31 -11.444 -17.889 22.299 1.00 0.00 O ATOM 0 H SER A 31 -13.204 -17.725 20.677 1.00 0.00 H new ATOM 0 HA SER A 31 -11.138 -15.939 19.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.033 -16.393 21.903 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.682 -15.822 22.059 1.00 0.00 H new ATOM 0 HG SER A 31 -12.409 -18.028 22.197 1.00 0.00 H new ATOM 198 N VAL A 32 -9.150 -17.228 19.634 1.00 0.00 N ATOM 199 CA VAL A 32 -8.047 -18.009 19.105 1.00 0.00 C ATOM 200 C VAL A 32 -7.718 -19.172 20.074 1.00 0.00 C ATOM 201 O VAL A 32 -7.321 -20.240 19.660 1.00 0.00 O ATOM 202 CB VAL A 32 -6.936 -16.960 18.886 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.028 -16.783 20.128 1.00 0.00 C ATOM 204 CG2 VAL A 32 -6.040 -17.280 17.657 1.00 0.00 C ATOM 0 H VAL A 32 -8.948 -16.260 19.884 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.238 -18.527 18.165 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.471 -16.029 18.701 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.265 -16.034 19.917 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.631 -16.458 20.976 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.548 -17.732 20.366 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.277 -16.509 17.552 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.560 -18.248 17.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.654 -17.308 16.757 1.00 0.00 H new ATOM 214 N GLU A 33 -7.903 -18.968 21.357 1.00 0.00 N ATOM 215 CA GLU A 33 -7.607 -20.094 22.308 1.00 0.00 C ATOM 216 C GLU A 33 -8.519 -21.282 22.083 1.00 0.00 C ATOM 217 O GLU A 33 -8.024 -22.400 22.031 1.00 0.00 O ATOM 218 CB GLU A 33 -7.729 -19.590 23.779 1.00 0.00 C ATOM 219 CG GLU A 33 -6.462 -18.729 24.143 1.00 0.00 C ATOM 220 CD GLU A 33 -5.115 -19.338 23.717 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.900 -20.542 23.845 1.00 0.00 O ATOM 222 OE2 GLU A 33 -4.322 -18.539 23.254 1.00 0.00 O ATOM 0 H GLU A 33 -8.235 -18.101 21.780 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.587 -20.429 22.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.634 -18.994 23.897 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.815 -20.437 24.460 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.563 -17.748 23.678 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.447 -18.571 25.221 1.00 0.00 H new ATOM 229 N GLU A 34 -9.785 -20.990 21.955 1.00 0.00 N ATOM 230 CA GLU A 34 -10.798 -22.058 21.661 1.00 0.00 C ATOM 231 C GLU A 34 -10.335 -22.696 20.340 1.00 0.00 C ATOM 232 O GLU A 34 -10.130 -23.895 20.237 1.00 0.00 O ATOM 233 CB GLU A 34 -12.200 -21.411 21.508 1.00 0.00 C ATOM 234 CG GLU A 34 -12.718 -20.877 22.883 1.00 0.00 C ATOM 235 CD GLU A 34 -14.050 -20.134 22.746 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.991 -19.110 22.075 1.00 0.00 O ATOM 237 OE2 GLU A 34 -15.000 -20.639 23.316 1.00 0.00 O ATOM 0 H GLU A 34 -10.170 -20.049 22.042 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.873 -22.802 22.454 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.151 -20.592 20.790 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.902 -22.143 21.109 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.838 -21.712 23.574 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.973 -20.209 23.316 1.00 0.00 H new ATOM 244 N ALA A 35 -10.170 -21.852 19.348 1.00 0.00 N ATOM 245 CA ALA A 35 -9.707 -22.350 18.021 1.00 0.00 C ATOM 246 C ALA A 35 -8.532 -23.322 18.142 1.00 0.00 C ATOM 247 O ALA A 35 -8.589 -24.433 17.670 1.00 0.00 O ATOM 248 CB ALA A 35 -9.309 -21.157 17.176 1.00 0.00 C ATOM 0 H ALA A 35 -10.336 -20.847 19.403 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.524 -22.901 17.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.967 -21.501 16.200 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.168 -20.499 17.048 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.505 -20.612 17.671 1.00 0.00 H new ATOM 254 N LYS A 36 -7.493 -22.882 18.798 1.00 0.00 N ATOM 255 CA LYS A 36 -6.277 -23.692 18.976 1.00 0.00 C ATOM 256 C LYS A 36 -6.716 -25.043 19.470 1.00 0.00 C ATOM 257 O LYS A 36 -6.467 -26.061 18.872 1.00 0.00 O ATOM 258 CB LYS A 36 -5.387 -22.916 19.970 1.00 0.00 C ATOM 259 CG LYS A 36 -4.782 -21.680 19.243 1.00 0.00 C ATOM 260 CD LYS A 36 -4.252 -20.606 20.229 1.00 0.00 C ATOM 261 CE LYS A 36 -3.244 -21.175 21.217 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.762 -20.034 22.051 1.00 0.00 N ATOM 0 H LYS A 36 -7.446 -21.959 19.230 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.699 -23.857 18.067 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.973 -22.597 20.832 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.591 -23.559 20.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.968 -22.007 18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.541 -21.234 18.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.788 -19.797 19.666 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.090 -20.174 20.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.705 -21.941 21.840 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.414 -21.648 20.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.619 -20.355 23.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.862 -19.680 21.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.468 -19.271 22.037 1.00 0.00 H new ATOM 276 N LYS A 37 -7.415 -24.979 20.554 1.00 0.00 N ATOM 277 CA LYS A 37 -7.863 -26.218 21.210 1.00 0.00 C ATOM 278 C LYS A 37 -8.642 -27.134 20.246 1.00 0.00 C ATOM 279 O LYS A 37 -8.383 -28.316 20.133 1.00 0.00 O ATOM 280 CB LYS A 37 -8.659 -25.751 22.436 1.00 0.00 C ATOM 281 CG LYS A 37 -7.611 -25.157 23.436 1.00 0.00 C ATOM 282 CD LYS A 37 -8.265 -24.185 24.460 1.00 0.00 C ATOM 283 CE LYS A 37 -7.166 -23.466 25.287 1.00 0.00 C ATOM 284 NZ LYS A 37 -6.355 -22.578 24.381 1.00 0.00 N ATOM 0 H LYS A 37 -7.697 -24.115 21.016 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.034 -26.853 21.523 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.399 -25.001 22.157 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.201 -26.582 22.888 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.120 -25.970 23.971 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.837 -24.629 22.879 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.877 -23.450 23.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.929 -24.737 25.125 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.622 -22.874 26.081 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.520 -24.200 25.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.201 -21.659 24.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.437 -23.026 24.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.866 -22.435 23.487 1.00 0.00 H new ATOM 298 N VAL A 38 -9.576 -26.549 19.559 1.00 0.00 N ATOM 299 CA VAL A 38 -10.397 -27.308 18.547 1.00 0.00 C ATOM 300 C VAL A 38 -9.498 -27.939 17.490 1.00 0.00 C ATOM 301 O VAL A 38 -9.467 -29.121 17.225 1.00 0.00 O ATOM 302 CB VAL A 38 -11.357 -26.378 17.770 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.128 -27.219 16.722 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.364 -25.618 18.629 1.00 0.00 C ATOM 0 H VAL A 38 -9.819 -25.562 19.648 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.952 -28.055 19.115 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.725 -25.617 17.312 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.809 -26.574 16.167 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.420 -27.678 16.032 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.698 -27.998 17.229 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.990 -24.995 17.990 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.990 -26.328 19.169 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.832 -24.988 19.342 1.00 0.00 H new ATOM 314 N ILE A 39 -8.759 -27.067 16.897 1.00 0.00 N ATOM 315 CA ILE A 39 -7.862 -27.420 15.779 1.00 0.00 C ATOM 316 C ILE A 39 -6.923 -28.522 16.183 1.00 0.00 C ATOM 317 O ILE A 39 -6.706 -29.463 15.456 1.00 0.00 O ATOM 318 CB ILE A 39 -7.149 -26.164 15.419 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.211 -25.219 14.850 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.223 -26.471 14.306 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.567 -23.950 14.345 1.00 0.00 C ATOM 0 H ILE A 39 -8.738 -26.079 17.151 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.407 -27.804 14.917 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.619 -25.743 16.274 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.748 -25.710 14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.945 -24.981 15.619 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.685 -25.567 14.020 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.510 -27.232 14.625 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.790 -26.841 13.452 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.334 -23.288 13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.051 -23.452 15.166 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.850 -24.193 13.560 1.00 0.00 H new ATOM 333 N LEU A 40 -6.361 -28.378 17.339 1.00 0.00 N ATOM 334 CA LEU A 40 -5.488 -29.433 17.868 1.00 0.00 C ATOM 335 C LEU A 40 -6.290 -30.745 17.909 1.00 0.00 C ATOM 336 O LEU A 40 -5.736 -31.787 17.620 1.00 0.00 O ATOM 337 CB LEU A 40 -5.044 -28.997 19.259 1.00 0.00 C ATOM 338 CG LEU A 40 -4.087 -27.779 19.321 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.580 -27.680 20.754 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.904 -27.899 18.384 1.00 0.00 C ATOM 0 H LEU A 40 -6.473 -27.564 17.943 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.606 -29.595 17.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.933 -28.765 19.845 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.555 -29.842 19.743 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.638 -26.892 19.009 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.900 -26.832 20.842 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.424 -27.540 21.430 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.052 -28.597 21.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.275 -27.014 18.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.324 -28.785 18.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.260 -27.984 17.357 1.00 0.00 H new ATOM 352 N GLN A 41 -7.552 -30.679 18.264 1.00 0.00 N ATOM 353 CA GLN A 41 -8.356 -31.951 18.277 1.00 0.00 C ATOM 354 C GLN A 41 -8.373 -32.606 16.873 1.00 0.00 C ATOM 355 O GLN A 41 -8.200 -33.800 16.713 1.00 0.00 O ATOM 356 CB GLN A 41 -9.783 -31.603 18.736 1.00 0.00 C ATOM 357 CG GLN A 41 -10.645 -32.878 18.865 1.00 0.00 C ATOM 358 CD GLN A 41 -12.117 -32.498 18.924 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.806 -32.755 19.885 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.656 -31.881 17.917 1.00 0.00 N ATOM 0 H GLN A 41 -8.050 -29.832 18.537 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.908 -32.671 18.961 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.745 -31.086 19.695 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.242 -30.919 18.023 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.464 -33.538 18.017 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.365 -33.428 19.763 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.093 -31.655 17.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.642 -31.622 17.946 1.00 0.00 H new ATOM 369 N ASP A 42 -8.589 -31.764 15.912 1.00 0.00 N ATOM 370 CA ASP A 42 -8.662 -32.147 14.460 1.00 0.00 C ATOM 371 C ASP A 42 -7.291 -32.570 13.852 1.00 0.00 C ATOM 372 O ASP A 42 -7.176 -33.578 13.183 1.00 0.00 O ATOM 373 CB ASP A 42 -9.274 -30.909 13.717 1.00 0.00 C ATOM 374 CG ASP A 42 -10.696 -30.546 14.201 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.074 -30.917 15.308 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.289 -29.880 13.353 1.00 0.00 O ATOM 0 H ASP A 42 -8.727 -30.766 16.073 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.281 -33.036 14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.619 -30.049 13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.304 -31.115 12.647 1.00 0.00 H new ATOM 381 N LYS A 43 -6.289 -31.780 14.099 1.00 0.00 N ATOM 382 CA LYS A 43 -4.913 -32.046 13.567 1.00 0.00 C ATOM 383 C LYS A 43 -3.822 -32.088 14.687 1.00 0.00 C ATOM 384 O LYS A 43 -3.052 -31.159 14.819 1.00 0.00 O ATOM 385 CB LYS A 43 -4.649 -30.936 12.505 1.00 0.00 C ATOM 386 CG LYS A 43 -3.304 -31.196 11.806 1.00 0.00 C ATOM 387 CD LYS A 43 -3.143 -30.240 10.596 1.00 0.00 C ATOM 388 CE LYS A 43 -1.801 -30.527 9.915 1.00 0.00 C ATOM 389 NZ LYS A 43 -0.693 -30.089 10.813 1.00 0.00 N ATOM 0 H LYS A 43 -6.362 -30.934 14.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.854 -33.038 13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.455 -30.923 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.638 -29.957 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.484 -31.048 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.253 -32.232 11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.962 -30.382 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.184 -29.202 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.710 -31.591 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.743 -30.001 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.152 -29.878 10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.983 -29.236 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.474 -30.848 11.490 1.00 0.00 H new ATOM 403 N PRO A 44 -3.776 -33.156 15.457 1.00 0.00 N ATOM 404 CA PRO A 44 -2.812 -33.378 16.572 1.00 0.00 C ATOM 405 C PRO A 44 -1.646 -32.398 16.792 1.00 0.00 C ATOM 406 O PRO A 44 -1.600 -31.712 17.797 1.00 0.00 O ATOM 407 CB PRO A 44 -2.379 -34.816 16.285 1.00 0.00 C ATOM 408 CG PRO A 44 -3.711 -35.506 15.821 1.00 0.00 C ATOM 409 CD PRO A 44 -4.661 -34.351 15.359 1.00 0.00 C ATOM 0 HA PRO A 44 -3.290 -33.190 17.533 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.613 -34.859 15.511 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.964 -35.296 17.171 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.524 -36.206 15.007 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.158 -36.076 16.635 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.025 -34.505 14.343 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.537 -34.263 16.002 1.00 0.00 H new ATOM 417 N GLU A 45 -0.727 -32.321 15.869 1.00 0.00 N ATOM 418 CA GLU A 45 0.446 -31.435 16.047 1.00 0.00 C ATOM 419 C GLU A 45 0.344 -29.968 15.583 1.00 0.00 C ATOM 420 O GLU A 45 1.344 -29.275 15.616 1.00 0.00 O ATOM 421 CB GLU A 45 1.579 -32.195 15.350 1.00 0.00 C ATOM 422 CG GLU A 45 1.289 -32.713 13.879 1.00 0.00 C ATOM 423 CD GLU A 45 0.377 -31.863 13.006 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.611 -30.675 12.903 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.545 -32.416 12.434 1.00 0.00 O ATOM 0 H GLU A 45 -0.744 -32.842 14.992 1.00 0.00 H new ATOM 0 HA GLU A 45 0.591 -31.261 17.113 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.454 -31.546 15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.843 -33.054 15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.244 -32.820 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.853 -33.709 13.952 1.00 0.00 H new ATOM 432 N ALA A 46 -0.813 -29.512 15.178 1.00 0.00 N ATOM 433 CA ALA A 46 -0.942 -28.094 14.735 1.00 0.00 C ATOM 434 C ALA A 46 -0.224 -27.032 15.648 1.00 0.00 C ATOM 435 O ALA A 46 -0.677 -26.661 16.718 1.00 0.00 O ATOM 436 CB ALA A 46 -2.484 -27.832 14.603 1.00 0.00 C ATOM 0 H ALA A 46 -1.672 -30.060 15.135 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.417 -27.964 13.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.652 -26.805 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.908 -28.517 13.869 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.964 -27.992 15.568 1.00 0.00 H new ATOM 442 N GLN A 47 0.903 -26.560 15.192 1.00 0.00 N ATOM 443 CA GLN A 47 1.680 -25.499 15.899 1.00 0.00 C ATOM 444 C GLN A 47 0.998 -24.234 15.369 1.00 0.00 C ATOM 445 O GLN A 47 1.389 -23.577 14.422 1.00 0.00 O ATOM 446 CB GLN A 47 3.169 -25.592 15.473 1.00 0.00 C ATOM 447 CG GLN A 47 3.726 -26.987 15.851 1.00 0.00 C ATOM 448 CD GLN A 47 3.518 -27.232 17.339 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.013 -26.529 18.187 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.789 -28.219 17.726 1.00 0.00 N ATOM 0 H GLN A 47 1.334 -26.879 14.324 1.00 0.00 H new ATOM 0 HA GLN A 47 1.686 -25.554 16.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.262 -25.430 14.399 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.749 -24.811 15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.223 -27.760 15.271 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.787 -27.045 15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.355 -28.833 17.037 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.645 -28.387 18.722 1.00 0.00 H new ATOM 459 N ILE A 48 -0.076 -23.955 16.039 1.00 0.00 N ATOM 460 CA ILE A 48 -0.921 -22.794 15.631 1.00 0.00 C ATOM 461 C ILE A 48 -0.430 -21.415 16.093 1.00 0.00 C ATOM 462 O ILE A 48 -0.033 -21.196 17.221 1.00 0.00 O ATOM 463 CB ILE A 48 -2.291 -23.139 16.141 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.700 -24.458 15.425 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.297 -22.001 15.899 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.034 -24.966 15.835 1.00 0.00 C ATOM 0 H ILE A 48 -0.410 -24.475 16.850 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.890 -22.665 14.549 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.285 -23.276 17.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.698 -24.293 14.348 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.950 -25.222 15.631 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.275 -22.292 16.283 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.959 -21.101 16.413 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.371 -21.802 14.830 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.254 -25.888 15.296 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.034 -25.163 16.907 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.794 -24.220 15.603 1.00 0.00 H new ATOM 478 N ILE A 49 -0.508 -20.524 15.140 1.00 0.00 N ATOM 479 CA ILE A 49 -0.045 -19.106 15.257 1.00 0.00 C ATOM 480 C ILE A 49 -1.168 -18.110 14.885 1.00 0.00 C ATOM 481 O ILE A 49 -1.891 -18.289 13.916 1.00 0.00 O ATOM 482 CB ILE A 49 1.186 -18.924 14.334 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.537 -19.389 14.959 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.363 -17.463 13.854 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.641 -20.928 15.105 1.00 0.00 C ATOM 0 H ILE A 49 -0.901 -20.739 14.224 1.00 0.00 H new ATOM 0 HA ILE A 49 0.228 -18.895 16.291 1.00 0.00 H new ATOM 0 HB ILE A 49 0.957 -19.574 13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.359 -19.032 14.339 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.655 -18.928 15.940 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.241 -17.395 13.211 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.479 -17.154 13.296 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.494 -16.810 14.717 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.604 -21.187 15.546 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.838 -21.287 15.749 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.554 -21.393 14.123 1.00 0.00 H new ATOM 497 N VAL A 50 -1.262 -17.071 15.672 1.00 0.00 N ATOM 498 CA VAL A 50 -2.318 -16.025 15.448 1.00 0.00 C ATOM 499 C VAL A 50 -1.838 -14.812 14.641 1.00 0.00 C ATOM 500 O VAL A 50 -0.699 -14.390 14.730 1.00 0.00 O ATOM 501 CB VAL A 50 -2.808 -15.537 16.813 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.659 -14.794 17.544 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.973 -14.537 16.652 1.00 0.00 C ATOM 0 H VAL A 50 -0.650 -16.896 16.469 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.108 -16.495 14.863 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.138 -16.408 17.379 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.010 -14.447 18.516 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.817 -15.473 17.683 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.341 -13.939 16.947 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.305 -14.204 17.635 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.637 -13.678 16.072 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.801 -15.023 16.135 1.00 0.00 H new ATOM 513 N LEU A 51 -2.744 -14.294 13.859 1.00 0.00 N ATOM 514 CA LEU A 51 -2.472 -13.064 13.066 1.00 0.00 C ATOM 515 C LEU A 51 -3.768 -12.225 13.102 1.00 0.00 C ATOM 516 O LEU A 51 -4.839 -12.802 13.187 1.00 0.00 O ATOM 517 CB LEU A 51 -2.147 -13.411 11.590 1.00 0.00 C ATOM 518 CG LEU A 51 -0.885 -14.260 11.385 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.244 -15.744 11.619 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.460 -14.143 9.897 1.00 0.00 C ATOM 0 H LEU A 51 -3.680 -14.680 13.734 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.617 -12.531 13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.997 -13.942 11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.037 -12.482 11.030 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.099 -13.926 12.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.356 -16.360 11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.616 -15.873 12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.014 -16.048 10.910 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.437 -14.739 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.265 -14.508 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.253 -13.100 9.659 1.00 0.00 H new ATOM 532 N PRO A 52 -3.685 -10.917 13.040 1.00 0.00 N ATOM 533 CA PRO A 52 -4.911 -10.064 12.973 1.00 0.00 C ATOM 534 C PRO A 52 -5.346 -10.080 11.482 1.00 0.00 C ATOM 535 O PRO A 52 -4.521 -9.937 10.609 1.00 0.00 O ATOM 536 CB PRO A 52 -4.411 -8.727 13.496 1.00 0.00 C ATOM 537 CG PRO A 52 -2.975 -8.662 12.871 1.00 0.00 C ATOM 538 CD PRO A 52 -2.430 -10.105 13.054 1.00 0.00 C ATOM 0 HA PRO A 52 -5.786 -10.365 13.548 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.038 -7.898 13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.386 -8.696 14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.008 -8.377 11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.349 -7.930 13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.751 -10.390 12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.882 -10.218 13.989 1.00 0.00 H new ATOM 546 N VAL A 53 -6.603 -10.247 11.190 1.00 0.00 N ATOM 547 CA VAL A 53 -7.083 -10.337 9.759 1.00 0.00 C ATOM 548 C VAL A 53 -6.504 -9.367 8.760 1.00 0.00 C ATOM 549 O VAL A 53 -6.452 -8.169 8.963 1.00 0.00 O ATOM 550 CB VAL A 53 -8.593 -10.232 9.766 1.00 0.00 C ATOM 551 CG1 VAL A 53 -9.161 -10.193 8.307 1.00 0.00 C ATOM 552 CG2 VAL A 53 -9.083 -11.547 10.327 1.00 0.00 C ATOM 0 H VAL A 53 -7.343 -10.328 11.888 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.714 -11.298 9.400 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.896 -9.341 10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.248 -10.117 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.754 -9.330 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.877 -11.105 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.172 -11.544 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.743 -12.364 9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.688 -11.683 11.334 1.00 0.00 H new ATOM 562 N GLY A 54 -6.085 -9.980 7.683 1.00 0.00 N ATOM 563 CA GLY A 54 -5.454 -9.183 6.554 1.00 0.00 C ATOM 564 C GLY A 54 -4.000 -9.582 6.280 1.00 0.00 C ATOM 565 O GLY A 54 -3.560 -9.659 5.152 1.00 0.00 O ATOM 0 H GLY A 54 -6.145 -10.986 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.041 -9.323 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.494 -8.122 6.799 1.00 0.00 H new ATOM 569 N THR A 55 -3.300 -9.793 7.355 1.00 0.00 N ATOM 570 CA THR A 55 -1.879 -10.261 7.383 1.00 0.00 C ATOM 571 C THR A 55 -1.678 -11.511 6.484 1.00 0.00 C ATOM 572 O THR A 55 -2.624 -12.160 6.081 1.00 0.00 O ATOM 573 CB THR A 55 -1.666 -10.506 8.825 1.00 0.00 C ATOM 574 OG1 THR A 55 -2.177 -9.350 9.491 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.386 -10.446 9.381 1.00 0.00 C ATOM 0 H THR A 55 -3.685 -9.649 8.289 1.00 0.00 H new ATOM 0 HA THR A 55 -1.154 -9.555 6.978 1.00 0.00 H new ATOM 0 HB THR A 55 -2.075 -11.510 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.945 -9.604 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.443 -10.655 10.449 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.255 -11.185 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.031 -9.451 9.228 1.00 0.00 H new ATOM 583 N ILE A 56 -0.455 -11.855 6.185 1.00 0.00 N ATOM 584 CA ILE A 56 -0.222 -13.049 5.286 1.00 0.00 C ATOM 585 C ILE A 56 -0.731 -14.449 5.765 1.00 0.00 C ATOM 586 O ILE A 56 -0.588 -14.879 6.900 1.00 0.00 O ATOM 587 CB ILE A 56 1.331 -13.127 4.983 1.00 0.00 C ATOM 588 CG1 ILE A 56 1.817 -11.949 4.067 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.745 -14.485 4.337 1.00 0.00 C ATOM 590 CD1 ILE A 56 1.145 -11.952 2.660 1.00 0.00 C ATOM 0 H ILE A 56 0.386 -11.379 6.511 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.841 -12.858 4.410 1.00 0.00 H new ATOM 0 HB ILE A 56 1.819 -13.042 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.606 -11.001 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.899 -12.012 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.819 -14.486 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.494 -15.302 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.212 -14.617 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.523 -11.114 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.377 -12.886 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.065 -11.859 2.772 1.00 0.00 H new ATOM 602 N VAL A 57 -1.325 -15.113 4.806 1.00 0.00 N ATOM 603 CA VAL A 57 -1.864 -16.523 4.929 1.00 0.00 C ATOM 604 C VAL A 57 -1.300 -17.490 3.908 1.00 0.00 C ATOM 605 O VAL A 57 -0.419 -18.275 4.225 1.00 0.00 O ATOM 606 CB VAL A 57 -3.449 -16.514 4.862 1.00 0.00 C ATOM 607 CG1 VAL A 57 -4.085 -17.286 6.046 1.00 0.00 C ATOM 608 CG2 VAL A 57 -3.953 -15.056 4.953 1.00 0.00 C ATOM 0 H VAL A 57 -1.471 -14.714 3.879 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.533 -16.887 5.902 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.734 -16.991 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.171 -17.254 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.750 -18.323 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.782 -16.825 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.042 -15.044 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.624 -14.615 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.549 -14.479 4.122 1.00 0.00 H new ATOM 618 N THR A 58 -1.808 -17.402 2.720 1.00 0.00 N ATOM 619 CA THR A 58 -1.369 -18.293 1.631 1.00 0.00 C ATOM 620 C THR A 58 -0.195 -17.948 0.696 1.00 0.00 C ATOM 621 O THR A 58 -0.295 -17.428 -0.395 1.00 0.00 O ATOM 622 CB THR A 58 -2.616 -18.600 0.835 1.00 0.00 C ATOM 623 OG1 THR A 58 -3.773 -18.031 1.440 1.00 0.00 O ATOM 624 CG2 THR A 58 -2.815 -20.090 0.927 1.00 0.00 C ATOM 0 H THR A 58 -2.528 -16.731 2.454 1.00 0.00 H new ATOM 0 HA THR A 58 -0.891 -19.121 2.154 1.00 0.00 H new ATOM 0 HB THR A 58 -2.497 -18.214 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.563 -18.245 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.707 -20.373 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.947 -20.600 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.936 -20.377 1.972 1.00 0.00 H new ATOM 632 N MET A 59 0.896 -18.299 1.288 1.00 0.00 N ATOM 633 CA MET A 59 2.277 -18.195 0.745 1.00 0.00 C ATOM 634 C MET A 59 2.550 -19.606 0.203 1.00 0.00 C ATOM 635 O MET A 59 1.740 -20.246 -0.440 1.00 0.00 O ATOM 636 CB MET A 59 3.175 -17.772 1.952 1.00 0.00 C ATOM 637 CG MET A 59 4.440 -17.029 1.482 1.00 0.00 C ATOM 638 SD MET A 59 4.228 -15.259 1.166 1.00 0.00 S ATOM 639 CE MET A 59 3.646 -15.318 -0.546 1.00 0.00 C ATOM 0 H MET A 59 0.885 -18.696 2.227 1.00 0.00 H new ATOM 0 HA MET A 59 2.455 -17.469 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.604 -17.131 2.624 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.462 -18.656 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.217 -17.156 2.236 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.801 -17.503 0.569 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.003 -14.439 -1.082 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.027 -16.218 -1.029 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.556 -15.333 -0.559 1.00 0.00 H new ATOM 649 N GLU A 60 3.739 -19.990 0.514 1.00 0.00 N ATOM 650 CA GLU A 60 4.249 -21.357 0.333 1.00 0.00 C ATOM 651 C GLU A 60 3.580 -22.028 1.570 1.00 0.00 C ATOM 652 O GLU A 60 2.794 -21.377 2.240 1.00 0.00 O ATOM 653 CB GLU A 60 5.788 -21.173 0.327 1.00 0.00 C ATOM 654 CG GLU A 60 6.328 -20.289 1.486 1.00 0.00 C ATOM 655 CD GLU A 60 6.001 -20.937 2.803 1.00 0.00 C ATOM 656 OE1 GLU A 60 6.541 -22.010 3.017 1.00 0.00 O ATOM 657 OE2 GLU A 60 5.233 -20.333 3.527 1.00 0.00 O ATOM 0 H GLU A 60 4.430 -19.357 0.918 1.00 0.00 H new ATOM 0 HA GLU A 60 4.039 -21.956 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.260 -22.154 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.086 -20.729 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.406 -20.161 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.884 -19.295 1.437 1.00 0.00 H new ATOM 664 N TYR A 61 3.832 -23.259 1.911 1.00 0.00 N ATOM 665 CA TYR A 61 3.029 -23.842 3.031 1.00 0.00 C ATOM 666 C TYR A 61 3.792 -24.324 4.248 1.00 0.00 C ATOM 667 O TYR A 61 4.809 -24.977 4.128 1.00 0.00 O ATOM 668 CB TYR A 61 2.266 -24.940 2.371 1.00 0.00 C ATOM 669 CG TYR A 61 0.982 -25.274 3.084 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.038 -24.358 3.071 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.807 -26.483 3.689 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.239 -24.653 3.649 1.00 0.00 C ATOM 673 CE2 TYR A 61 -0.405 -26.775 4.270 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.427 -25.866 4.250 1.00 0.00 C ATOM 675 OH TYR A 61 -2.634 -26.177 4.823 1.00 0.00 O ATOM 0 H TYR A 61 4.529 -23.870 1.486 1.00 0.00 H new ATOM 0 HA TYR A 61 2.412 -23.066 3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.041 -24.652 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.891 -25.832 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.110 -23.397 2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.611 -27.204 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.040 -23.929 3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.551 -27.733 4.747 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.205 -25.381 4.835 1.00 0.00 H new ATOM 685 N ARG A 62 3.270 -23.985 5.389 1.00 0.00 N ATOM 686 CA ARG A 62 3.888 -24.434 6.655 1.00 0.00 C ATOM 687 C ARG A 62 2.880 -25.349 7.338 1.00 0.00 C ATOM 688 O ARG A 62 2.337 -25.095 8.394 1.00 0.00 O ATOM 689 CB ARG A 62 4.233 -23.153 7.465 1.00 0.00 C ATOM 690 CG ARG A 62 5.751 -23.034 7.649 1.00 0.00 C ATOM 691 CD ARG A 62 6.463 -22.888 6.298 1.00 0.00 C ATOM 692 NE ARG A 62 6.132 -21.548 5.694 1.00 0.00 N ATOM 693 CZ ARG A 62 7.012 -20.629 5.674 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.956 -20.744 4.840 1.00 0.00 N ATOM 695 NH2 ARG A 62 6.883 -19.660 6.473 1.00 0.00 N ATOM 0 H ARG A 62 2.434 -23.411 5.496 1.00 0.00 H new ATOM 0 HA ARG A 62 4.811 -25.001 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.852 -22.273 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.743 -23.187 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.978 -22.173 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.127 -23.915 8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.541 -22.982 6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.155 -23.688 5.625 1.00 0.00 H new ATOM 0 HE ARG A 62 5.206 -21.378 5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.991 -21.551 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.683 -20.030 4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.089 -19.628 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.573 -18.909 6.479 1.00 0.00 H new ATOM 709 N ILE A 63 2.643 -26.438 6.654 1.00 0.00 N ATOM 710 CA ILE A 63 1.712 -27.506 7.183 1.00 0.00 C ATOM 711 C ILE A 63 1.813 -27.901 8.689 1.00 0.00 C ATOM 712 O ILE A 63 1.007 -28.639 9.225 1.00 0.00 O ATOM 713 CB ILE A 63 1.930 -28.731 6.228 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.125 -29.953 6.639 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.415 -29.144 6.271 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.385 -29.723 6.640 1.00 0.00 C ATOM 0 H ILE A 63 3.053 -26.644 5.743 1.00 0.00 H new ATOM 0 HA ILE A 63 0.700 -27.101 7.175 1.00 0.00 H new ATOM 0 HB ILE A 63 1.608 -28.413 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.358 -30.775 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.437 -30.264 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.575 -29.995 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.035 -28.309 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.687 -29.420 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.892 -30.639 6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.631 -28.923 7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.711 -29.442 5.638 1.00 0.00 H new ATOM 728 N ASP A 64 2.803 -27.380 9.332 1.00 0.00 N ATOM 729 CA ASP A 64 3.057 -27.583 10.783 1.00 0.00 C ATOM 730 C ASP A 64 2.172 -26.623 11.616 1.00 0.00 C ATOM 731 O ASP A 64 2.077 -26.737 12.817 1.00 0.00 O ATOM 732 CB ASP A 64 4.539 -27.302 10.941 1.00 0.00 C ATOM 733 CG ASP A 64 4.819 -25.946 10.287 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.531 -24.924 10.892 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.307 -26.005 9.171 1.00 0.00 O ATOM 0 H ASP A 64 3.495 -26.780 8.883 1.00 0.00 H new ATOM 0 HA ASP A 64 2.808 -28.583 11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.816 -27.285 11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.131 -28.086 10.469 1.00 0.00 H new ATOM 740 N ARG A 65 1.548 -25.710 10.930 1.00 0.00 N ATOM 741 CA ARG A 65 0.720 -24.621 11.523 1.00 0.00 C ATOM 742 C ARG A 65 -0.716 -24.363 11.018 1.00 0.00 C ATOM 743 O ARG A 65 -0.969 -24.587 9.850 1.00 0.00 O ATOM 744 CB ARG A 65 1.570 -23.443 11.292 1.00 0.00 C ATOM 745 CG ARG A 65 0.813 -22.096 11.485 1.00 0.00 C ATOM 746 CD ARG A 65 1.742 -20.958 11.187 1.00 0.00 C ATOM 747 NE ARG A 65 2.574 -21.378 10.009 1.00 0.00 N ATOM 748 CZ ARG A 65 3.846 -21.287 10.152 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.336 -20.157 9.883 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.560 -22.261 10.559 1.00 0.00 N ATOM 0 H ARG A 65 1.582 -25.674 9.911 1.00 0.00 H new ATOM 0 HA ARG A 65 0.483 -24.898 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.420 -23.476 11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.972 -23.485 10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.054 -22.055 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.440 -22.018 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.182 -20.050 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.373 -20.738 12.048 1.00 0.00 H new ATOM 0 HE ARG A 65 2.152 -21.716 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.728 -19.397 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.340 -20.002 9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.123 -23.154 10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.569 -22.147 10.659 1.00 0.00 H new ATOM 764 N VAL A 66 -1.594 -23.889 11.884 1.00 0.00 N ATOM 765 CA VAL A 66 -2.922 -23.439 11.381 1.00 0.00 C ATOM 766 C VAL A 66 -2.833 -21.917 11.565 1.00 0.00 C ATOM 767 O VAL A 66 -2.433 -21.404 12.602 1.00 0.00 O ATOM 768 CB VAL A 66 -4.120 -23.980 12.175 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.425 -23.765 11.367 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.105 -25.447 12.129 1.00 0.00 C ATOM 0 H VAL A 66 -1.446 -23.800 12.889 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.099 -23.790 10.364 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.072 -23.513 13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.272 -24.150 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.567 -22.700 11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.355 -24.293 10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.953 -25.837 12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.172 -25.779 11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.178 -25.815 12.569 1.00 0.00 H new ATOM 780 N ARG A 67 -3.209 -21.263 10.515 1.00 0.00 N ATOM 781 CA ARG A 67 -3.149 -19.788 10.438 1.00 0.00 C ATOM 782 C ARG A 67 -4.475 -19.232 10.951 1.00 0.00 C ATOM 783 O ARG A 67 -5.523 -19.484 10.372 1.00 0.00 O ATOM 784 CB ARG A 67 -2.905 -19.450 8.982 1.00 0.00 C ATOM 785 CG ARG A 67 -2.393 -18.012 8.883 1.00 0.00 C ATOM 786 CD ARG A 67 -0.952 -17.976 9.429 1.00 0.00 C ATOM 787 NE ARG A 67 -0.231 -18.919 8.511 1.00 0.00 N ATOM 788 CZ ARG A 67 0.310 -18.519 7.427 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.166 -17.323 6.994 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.991 -19.375 6.790 1.00 0.00 N ATOM 0 H ARG A 67 -3.570 -21.709 9.672 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.356 -19.353 11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.178 -20.139 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.826 -19.562 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.416 -17.671 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.033 -17.340 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.529 -16.972 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.903 -18.304 10.467 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.172 -19.906 8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.396 -16.654 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.614 -17.039 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.083 -20.325 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.448 -19.115 5.916 1.00 0.00 H new ATOM 804 N LEU A 68 -4.377 -18.511 12.035 1.00 0.00 N ATOM 805 CA LEU A 68 -5.579 -17.942 12.657 1.00 0.00 C ATOM 806 C LEU A 68 -5.709 -16.440 12.488 1.00 0.00 C ATOM 807 O LEU A 68 -5.186 -15.655 13.251 1.00 0.00 O ATOM 808 CB LEU A 68 -5.543 -18.371 14.161 1.00 0.00 C ATOM 809 CG LEU A 68 -6.393 -19.655 14.374 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.879 -20.823 13.521 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.331 -20.104 15.818 1.00 0.00 C ATOM 0 H LEU A 68 -3.501 -18.297 12.512 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.467 -18.328 12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.514 -18.552 14.470 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.926 -17.564 14.786 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.412 -19.399 14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.498 -21.702 13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.926 -20.552 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.847 -21.046 13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.933 -21.004 15.945 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.297 -20.317 16.089 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.719 -19.314 16.462 1.00 0.00 H new ATOM 823 N PHE A 69 -6.377 -16.103 11.422 1.00 0.00 N ATOM 824 CA PHE A 69 -6.796 -14.702 11.212 1.00 0.00 C ATOM 825 C PHE A 69 -8.001 -14.322 12.082 1.00 0.00 C ATOM 826 O PHE A 69 -9.166 -14.633 11.862 1.00 0.00 O ATOM 827 CB PHE A 69 -7.059 -14.555 9.685 1.00 0.00 C ATOM 828 CG PHE A 69 -5.693 -14.287 9.221 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.212 -13.086 9.643 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.947 -15.125 8.460 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.979 -12.691 9.317 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.708 -14.726 8.128 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.212 -13.536 8.527 1.00 0.00 C ATOM 0 H PHE A 69 -6.651 -16.750 10.682 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.022 -14.002 11.526 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.480 -15.459 9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.745 -13.740 9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.835 -12.445 10.249 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.335 -16.078 8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.590 -11.743 9.658 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.091 -15.376 7.525 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.216 -13.241 8.231 1.00 0.00 H new ATOM 843 N VAL A 70 -7.590 -13.597 13.087 1.00 0.00 N ATOM 844 CA VAL A 70 -8.574 -13.157 14.137 1.00 0.00 C ATOM 845 C VAL A 70 -8.798 -11.638 14.012 1.00 0.00 C ATOM 846 O VAL A 70 -8.086 -10.997 13.272 1.00 0.00 O ATOM 847 CB VAL A 70 -7.998 -13.560 15.536 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.518 -15.023 15.553 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.788 -12.746 15.984 1.00 0.00 C ATOM 0 H VAL A 70 -6.628 -13.290 13.232 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.543 -13.639 14.010 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.838 -13.379 16.207 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.125 -15.266 16.540 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.354 -15.683 15.323 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.734 -15.157 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.457 -13.094 16.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.980 -12.869 15.263 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.061 -11.693 16.047 1.00 0.00 H new ATOM 859 N ASP A 71 -9.720 -11.031 14.697 1.00 0.00 N ATOM 860 CA ASP A 71 -9.915 -9.573 14.447 1.00 0.00 C ATOM 861 C ASP A 71 -9.112 -8.721 15.417 1.00 0.00 C ATOM 862 O ASP A 71 -7.983 -8.993 15.781 1.00 0.00 O ATOM 863 CB ASP A 71 -11.434 -9.272 14.551 1.00 0.00 C ATOM 864 CG ASP A 71 -11.893 -9.214 15.989 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.609 -10.148 16.714 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.486 -8.184 16.246 1.00 0.00 O ATOM 0 H ASP A 71 -10.329 -11.457 15.395 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.550 -9.319 13.452 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.652 -8.323 14.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.995 -10.041 14.020 1.00 0.00 H new ATOM 871 N LYS A 72 -9.791 -7.692 15.797 1.00 0.00 N ATOM 872 CA LYS A 72 -9.254 -6.692 16.752 1.00 0.00 C ATOM 873 C LYS A 72 -9.543 -7.070 18.220 1.00 0.00 C ATOM 874 O LYS A 72 -9.196 -6.388 19.162 1.00 0.00 O ATOM 875 CB LYS A 72 -9.889 -5.350 16.353 1.00 0.00 C ATOM 876 CG LYS A 72 -9.579 -4.928 14.876 1.00 0.00 C ATOM 877 CD LYS A 72 -8.076 -4.529 14.734 1.00 0.00 C ATOM 878 CE LYS A 72 -7.747 -3.947 13.336 1.00 0.00 C ATOM 879 NZ LYS A 72 -7.749 -5.036 12.297 1.00 0.00 N ATOM 0 H LYS A 72 -10.737 -7.491 15.473 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.167 -6.640 16.698 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.969 -5.414 16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.531 -4.572 17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.810 -5.750 14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.214 -4.090 14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.825 -3.794 15.499 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.452 -5.404 14.916 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.479 -3.183 13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.772 -3.460 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.527 -4.628 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.034 -5.751 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.688 -5.483 12.264 1.00 0.00 H new ATOM 893 N LEU A 73 -10.174 -8.185 18.306 1.00 0.00 N ATOM 894 CA LEU A 73 -10.606 -8.828 19.579 1.00 0.00 C ATOM 895 C LEU A 73 -10.314 -10.355 19.525 1.00 0.00 C ATOM 896 O LEU A 73 -11.127 -11.123 19.997 1.00 0.00 O ATOM 897 CB LEU A 73 -12.092 -8.544 19.675 1.00 0.00 C ATOM 898 CG LEU A 73 -12.421 -7.042 19.615 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.933 -6.898 19.406 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.053 -6.355 20.944 1.00 0.00 C ATOM 0 H LEU A 73 -10.433 -8.728 17.482 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.075 -8.445 20.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.608 -9.056 18.863 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.476 -8.958 20.607 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.856 -6.580 18.805 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.195 -5.841 19.360 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.219 -7.384 18.473 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.461 -7.367 20.236 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.292 -5.293 20.883 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.619 -6.809 21.757 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.986 -6.476 21.133 1.00 0.00 H new ATOM 912 N ASP A 74 -9.191 -10.733 18.965 1.00 0.00 N ATOM 913 CA ASP A 74 -8.790 -12.166 18.806 1.00 0.00 C ATOM 914 C ASP A 74 -9.932 -13.150 18.491 1.00 0.00 C ATOM 915 O ASP A 74 -9.831 -14.334 18.750 1.00 0.00 O ATOM 916 CB ASP A 74 -7.979 -12.494 20.138 1.00 0.00 C ATOM 917 CG ASP A 74 -8.584 -13.573 21.066 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.298 -14.751 20.884 1.00 0.00 O ATOM 919 OD2 ASP A 74 -9.321 -13.132 21.930 1.00 0.00 O ATOM 0 H ASP A 74 -8.505 -10.075 18.595 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.183 -12.303 17.911 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.974 -12.810 19.857 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.875 -11.572 20.710 1.00 0.00 H new ATOM 924 N ASN A 75 -10.986 -12.647 17.905 1.00 0.00 N ATOM 925 CA ASN A 75 -12.111 -13.543 17.546 1.00 0.00 C ATOM 926 C ASN A 75 -12.053 -13.747 16.030 1.00 0.00 C ATOM 927 O ASN A 75 -11.738 -12.864 15.256 1.00 0.00 O ATOM 928 CB ASN A 75 -13.411 -12.865 18.057 1.00 0.00 C ATOM 929 CG ASN A 75 -13.502 -13.138 19.537 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.467 -14.258 19.998 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.628 -12.141 20.326 1.00 0.00 N ATOM 0 H ASN A 75 -11.112 -11.664 17.663 1.00 0.00 H new ATOM 0 HA ASN A 75 -12.067 -14.532 18.002 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.387 -11.792 17.864 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.283 -13.263 17.538 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.698 -12.293 21.332 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.659 -11.193 19.950 1.00 0.00 H new ATOM 938 N ILE A 76 -12.359 -14.945 15.661 1.00 0.00 N ATOM 939 CA ILE A 76 -12.241 -15.348 14.251 1.00 0.00 C ATOM 940 C ILE A 76 -13.199 -14.673 13.332 1.00 0.00 C ATOM 941 O ILE A 76 -14.412 -14.781 13.338 1.00 0.00 O ATOM 942 CB ILE A 76 -12.344 -16.839 14.228 1.00 0.00 C ATOM 943 CG1 ILE A 76 -11.047 -17.120 15.034 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.175 -17.293 12.727 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.881 -18.521 15.268 1.00 0.00 C ATOM 0 H ILE A 76 -12.692 -15.676 16.290 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.280 -15.020 13.856 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.251 -17.313 14.602 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.185 -16.734 14.489 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.085 -16.591 15.986 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.244 -18.379 12.665 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.962 -16.844 12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.202 -16.970 12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.965 -18.689 15.834 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.732 -18.899 15.834 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.819 -19.044 14.314 1.00 0.00 H new ATOM 957 N ALA A 77 -12.451 -14.001 12.526 1.00 0.00 N ATOM 958 CA ALA A 77 -12.930 -13.048 11.545 1.00 0.00 C ATOM 959 C ALA A 77 -12.920 -13.637 10.123 1.00 0.00 C ATOM 960 O ALA A 77 -13.840 -13.437 9.357 1.00 0.00 O ATOM 961 CB ALA A 77 -11.972 -11.957 11.998 1.00 0.00 C ATOM 0 H ALA A 77 -11.435 -14.096 12.521 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.963 -12.703 11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.123 -11.065 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.160 -11.719 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.945 -12.304 11.884 1.00 0.00 H new ATOM 967 N GLN A 78 -11.876 -14.356 9.856 1.00 0.00 N ATOM 968 CA GLN A 78 -11.702 -15.034 8.527 1.00 0.00 C ATOM 969 C GLN A 78 -11.688 -16.524 8.919 1.00 0.00 C ATOM 970 O GLN A 78 -11.508 -16.801 10.091 1.00 0.00 O ATOM 971 CB GLN A 78 -10.347 -14.579 7.903 1.00 0.00 C ATOM 972 CG GLN A 78 -10.135 -15.283 6.507 1.00 0.00 C ATOM 973 CD GLN A 78 -8.782 -14.951 5.868 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.730 -15.359 6.317 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.746 -14.214 4.806 1.00 0.00 N ATOM 0 H GLN A 78 -11.111 -14.513 10.512 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.468 -14.809 7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.339 -13.496 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.525 -14.829 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.215 -16.363 6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.934 -14.982 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.612 -13.856 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.851 -13.991 4.370 1.00 0.00 H new ATOM 984 N VAL A 79 -11.867 -17.477 8.035 1.00 0.00 N ATOM 985 CA VAL A 79 -11.759 -18.862 8.598 1.00 0.00 C ATOM 986 C VAL A 79 -10.276 -19.238 8.811 1.00 0.00 C ATOM 987 O VAL A 79 -9.441 -18.898 7.995 1.00 0.00 O ATOM 988 CB VAL A 79 -12.418 -19.917 7.657 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.149 -21.343 8.221 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.910 -19.772 7.821 1.00 0.00 C ATOM 0 H VAL A 79 -12.065 -17.378 7.039 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.287 -18.867 9.552 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.046 -19.781 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.607 -22.085 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.074 -21.518 8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.577 -21.426 9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.418 -20.492 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.181 -19.957 8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.210 -18.762 7.541 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.974 -19.925 9.887 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.591 -20.395 10.206 1.00 0.00 C ATOM 1002 C PRO A 80 -8.363 -21.678 9.378 1.00 0.00 C ATOM 1003 O PRO A 80 -9.275 -22.465 9.184 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.637 -20.605 11.712 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.953 -19.919 12.109 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.876 -20.339 10.986 1.00 0.00 C ATOM 0 HA PRO A 80 -7.766 -19.726 9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.637 -21.663 11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.779 -20.154 12.210 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.313 -20.257 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.847 -18.836 12.167 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.101 -21.405 10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.830 -19.812 10.987 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.148 -21.867 8.939 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.853 -22.992 7.980 1.00 0.00 C ATOM 1016 C ARG A 81 -5.408 -23.438 8.112 1.00 0.00 C ATOM 1017 O ARG A 81 -4.654 -22.735 8.750 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.169 -22.479 6.556 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.072 -21.485 6.231 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.328 -20.703 4.960 1.00 0.00 C ATOM 1021 NE ARG A 81 -7.464 -19.771 5.241 1.00 0.00 N ATOM 1022 CZ ARG A 81 -7.269 -18.515 5.429 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -6.832 -17.837 4.451 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -7.524 -17.995 6.560 1.00 0.00 N ATOM 0 H ARG A 81 -6.343 -21.297 9.197 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.467 -23.865 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.182 -23.299 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.151 -22.007 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.965 -20.788 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.125 -22.017 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.438 -20.148 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.574 -21.374 4.137 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.414 -20.141 5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.649 -18.292 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.664 -16.837 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.883 -18.575 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.369 -16.998 6.709 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.005 -24.536 7.543 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.567 -24.898 7.724 1.00 0.00 C ATOM 1040 C VAL A 82 -2.624 -24.167 6.728 1.00 0.00 C ATOM 1041 O VAL A 82 -3.038 -23.771 5.654 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.436 -26.442 7.579 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.009 -26.814 7.932 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.321 -27.191 8.561 1.00 0.00 C ATOM 0 H VAL A 82 -5.573 -25.174 6.986 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.252 -24.574 8.716 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.723 -26.708 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.881 -27.893 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.323 -26.308 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.796 -26.509 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.194 -28.264 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.042 -26.923 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.363 -26.924 8.388 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.392 -24.027 7.150 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.248 -23.431 6.364 1.00 0.00 C ATOM 1056 C GLY A 83 0.482 -22.274 7.092 1.00 0.00 C ATOM 1057 O GLY A 83 -0.036 -21.649 8.002 1.00 0.00 O ATOM 1058 OXT GLY A 83 1.600 -22.027 6.690 1.00 0.00 O ATOM 0 H GLY A 83 -1.108 -24.325 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.473 -24.217 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.628 -23.064 5.411 1.00 0.00 H new TER 1062 GLY A 83