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+ -140:sc= 0.704 (180deg=-0.865) USER MOD Single : A 22 THR OG1 : rot 15:sc= 0.914 USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.033) USER MOD Single : A 31 SER OG : rot -150:sc= 0.116 USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= 1.22 (180deg=-0.767) USER MOD Single : A 37 LYS NZ :NH3+ -101:sc= -3.52 (180deg=-4.65!) USER MOD Single : A 41 GLN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= -1.97! (180deg=-3.03!) USER MOD Single : A 47 GLN : amide:sc= 0.526 K(o=0.53,f=-0.075) USER MOD Single : A 55 THR OG1 : rot 119:sc= 0.164 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= 1.23 (180deg=-0.366) USER MOD Single : A 75 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.35) USER MOD Single : A 78 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -10.580 -33.364 5.174 1.00 0.00 C ATOM 2 C LEU A 20 -10.918 -32.419 6.342 1.00 0.00 C ATOM 3 O LEU A 20 -12.003 -31.887 6.463 1.00 0.00 O ATOM 4 CB LEU A 20 -11.424 -34.677 5.221 1.00 0.00 C ATOM 5 CG LEU A 20 -10.979 -35.686 6.320 1.00 0.00 C ATOM 6 CD1 LEU A 20 -11.370 -35.199 7.719 1.00 0.00 C ATOM 7 CD2 LEU A 20 -11.687 -37.019 6.072 1.00 0.00 C ATOM 0 HB2 LEU A 20 -12.470 -34.417 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.366 -35.167 4.249 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.895 -35.788 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.044 -35.927 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.892 -34.240 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.452 -35.083 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.386 -37.738 6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.766 -36.872 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.414 -37.398 5.087 1.00 0.00 H new ATOM 19 N LYS A 21 -9.943 -32.258 7.189 1.00 0.00 N ATOM 20 CA LYS A 21 -10.044 -31.346 8.356 1.00 0.00 C ATOM 21 C LYS A 21 -8.857 -30.377 8.134 1.00 0.00 C ATOM 22 O LYS A 21 -7.890 -30.334 8.872 1.00 0.00 O ATOM 23 CB LYS A 21 -9.925 -32.222 9.618 1.00 0.00 C ATOM 24 CG LYS A 21 -10.268 -31.457 10.947 1.00 0.00 C ATOM 25 CD LYS A 21 -11.793 -31.040 11.064 1.00 0.00 C ATOM 26 CE LYS A 21 -12.116 -29.583 10.608 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.200 -28.688 11.814 1.00 0.00 N ATOM 0 H LYS A 21 -9.047 -32.740 7.115 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.969 -30.781 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.591 -33.079 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.910 -32.613 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.006 -32.087 11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.649 -30.562 11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.390 -31.731 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.108 -31.158 12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.344 -29.224 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.058 -29.562 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.986 -28.017 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.363 -29.265 12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.309 -28.162 11.919 1.00 0.00 H new ATOM 41 N THR A 22 -8.957 -29.610 7.084 1.00 0.00 N ATOM 42 CA THR A 22 -7.854 -28.618 6.774 1.00 0.00 C ATOM 43 C THR A 22 -8.348 -27.201 6.884 1.00 0.00 C ATOM 44 O THR A 22 -7.660 -26.267 6.536 1.00 0.00 O ATOM 45 CB THR A 22 -7.281 -28.787 5.348 1.00 0.00 C ATOM 46 OG1 THR A 22 -8.322 -28.936 4.395 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.542 -30.095 5.215 1.00 0.00 C ATOM 0 H THR A 22 -9.737 -29.616 6.427 1.00 0.00 H new ATOM 0 HA THR A 22 -7.074 -28.820 7.508 1.00 0.00 H new ATOM 0 HB THR A 22 -6.656 -27.909 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.173 -28.660 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.149 -30.189 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.718 -30.122 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.224 -30.921 5.418 1.00 0.00 H new ATOM 55 N GLU A 23 -9.532 -27.110 7.397 1.00 0.00 N ATOM 56 CA GLU A 23 -10.264 -25.835 7.614 1.00 0.00 C ATOM 57 C GLU A 23 -10.978 -25.907 8.973 1.00 0.00 C ATOM 58 O GLU A 23 -11.342 -26.979 9.427 1.00 0.00 O ATOM 59 CB GLU A 23 -11.261 -25.681 6.438 1.00 0.00 C ATOM 60 CG GLU A 23 -12.297 -26.888 6.366 1.00 0.00 C ATOM 61 CD GLU A 23 -11.597 -28.252 6.287 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.969 -28.561 5.291 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.699 -28.959 7.268 1.00 0.00 O ATOM 0 H GLU A 23 -10.061 -27.929 7.697 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.602 -24.969 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.806 -24.743 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.708 -25.622 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.942 -26.863 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.940 -26.761 5.495 1.00 0.00 H new ATOM 70 N TRP A 24 -11.150 -24.779 9.595 1.00 0.00 N ATOM 71 CA TRP A 24 -11.896 -24.782 10.889 1.00 0.00 C ATOM 72 C TRP A 24 -13.025 -23.779 10.906 1.00 0.00 C ATOM 73 O TRP A 24 -13.050 -22.812 11.638 1.00 0.00 O ATOM 74 CB TRP A 24 -10.831 -24.551 11.972 1.00 0.00 C ATOM 75 CG TRP A 24 -10.173 -25.868 12.207 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.636 -26.636 13.170 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.152 -26.454 11.596 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.866 -27.702 13.120 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.921 -27.679 12.182 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.388 -26.007 10.550 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.892 -28.447 11.696 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.371 -26.775 10.074 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.113 -27.998 10.639 1.00 0.00 C ATOM 0 H TRP A 24 -10.816 -23.870 9.276 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.411 -25.727 11.063 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.104 -23.806 11.648 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.285 -24.175 12.889 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.456 -26.438 13.844 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.985 -28.491 13.755 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.593 -25.045 10.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.687 -29.410 12.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.767 -26.422 9.251 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.306 -28.609 10.262 1.00 0.00 H new ATOM 94 N PRO A 25 -13.985 -24.052 10.060 1.00 0.00 N ATOM 95 CA PRO A 25 -15.160 -23.172 9.914 1.00 0.00 C ATOM 96 C PRO A 25 -15.992 -23.226 11.179 1.00 0.00 C ATOM 97 O PRO A 25 -16.571 -22.229 11.551 1.00 0.00 O ATOM 98 CB PRO A 25 -15.802 -23.718 8.660 1.00 0.00 C ATOM 99 CG PRO A 25 -15.534 -25.219 8.741 1.00 0.00 C ATOM 100 CD PRO A 25 -14.057 -25.244 9.161 1.00 0.00 C ATOM 0 HA PRO A 25 -14.969 -22.105 9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.870 -23.503 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.364 -23.281 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.176 -25.712 9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.697 -25.717 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.793 -26.166 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.386 -25.155 8.307 1.00 0.00 H new ATOM 108 N GLU A 26 -16.039 -24.344 11.854 1.00 0.00 N ATOM 109 CA GLU A 26 -16.834 -24.418 13.109 1.00 0.00 C ATOM 110 C GLU A 26 -16.187 -23.478 14.166 1.00 0.00 C ATOM 111 O GLU A 26 -16.655 -23.377 15.283 1.00 0.00 O ATOM 112 CB GLU A 26 -16.851 -25.897 13.590 1.00 0.00 C ATOM 113 CG GLU A 26 -15.457 -26.348 14.120 1.00 0.00 C ATOM 114 CD GLU A 26 -14.418 -26.787 13.119 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.548 -26.646 11.919 1.00 0.00 O ATOM 116 OE2 GLU A 26 -13.460 -27.280 13.652 1.00 0.00 O ATOM 0 H GLU A 26 -15.562 -25.206 11.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.862 -24.093 12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.595 -26.015 14.378 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.154 -26.544 12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.037 -25.522 14.694 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.617 -27.172 14.816 1.00 0.00 H new ATOM 123 N LEU A 27 -15.118 -22.810 13.790 1.00 0.00 N ATOM 124 CA LEU A 27 -14.438 -21.824 14.665 1.00 0.00 C ATOM 125 C LEU A 27 -14.856 -20.393 14.308 1.00 0.00 C ATOM 126 O LEU A 27 -14.665 -19.505 15.116 1.00 0.00 O ATOM 127 CB LEU A 27 -12.903 -21.894 14.523 1.00 0.00 C ATOM 128 CG LEU A 27 -12.289 -23.182 15.029 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.752 -23.034 14.987 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.682 -23.435 16.489 1.00 0.00 C ATOM 0 H LEU A 27 -14.681 -22.920 12.875 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.732 -22.073 15.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.641 -21.768 13.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.461 -21.057 15.064 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.640 -24.005 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.288 -23.952 15.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.433 -22.845 13.962 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.449 -22.201 15.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.230 -24.366 16.832 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.329 -22.611 17.109 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.767 -23.509 16.566 1.00 0.00 H new ATOM 142 N VAL A 28 -15.417 -20.133 13.158 1.00 0.00 N ATOM 143 CA VAL A 28 -15.758 -18.695 12.879 1.00 0.00 C ATOM 144 C VAL A 28 -16.810 -18.225 13.919 1.00 0.00 C ATOM 145 O VAL A 28 -17.921 -18.715 13.988 1.00 0.00 O ATOM 146 CB VAL A 28 -16.274 -18.606 11.430 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.630 -17.135 11.134 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.117 -18.992 10.473 1.00 0.00 C ATOM 0 H VAL A 28 -15.647 -20.809 12.429 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.892 -18.039 12.973 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.135 -19.261 11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.998 -17.048 10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.402 -16.801 11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.742 -16.515 11.254 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.464 -18.935 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.283 -18.304 10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.789 -20.009 10.690 1.00 0.00 H new ATOM 158 N GLY A 29 -16.385 -17.272 14.711 1.00 0.00 N ATOM 159 CA GLY A 29 -17.226 -16.731 15.840 1.00 0.00 C ATOM 160 C GLY A 29 -16.598 -17.077 17.205 1.00 0.00 C ATOM 161 O GLY A 29 -17.084 -16.645 18.231 1.00 0.00 O ATOM 0 H GLY A 29 -15.469 -16.832 14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.322 -15.650 15.742 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.232 -17.147 15.782 1.00 0.00 H new ATOM 165 N LYS A 30 -15.548 -17.854 17.151 1.00 0.00 N ATOM 166 CA LYS A 30 -14.769 -18.306 18.342 1.00 0.00 C ATOM 167 C LYS A 30 -13.488 -17.457 18.441 1.00 0.00 C ATOM 168 O LYS A 30 -13.176 -16.707 17.531 1.00 0.00 O ATOM 169 CB LYS A 30 -14.336 -19.771 18.169 1.00 0.00 C ATOM 170 CG LYS A 30 -15.488 -20.727 17.828 1.00 0.00 C ATOM 171 CD LYS A 30 -16.466 -20.939 18.991 1.00 0.00 C ATOM 172 CE LYS A 30 -17.135 -22.324 18.797 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.814 -22.351 17.454 1.00 0.00 N ATOM 0 H LYS A 30 -15.178 -18.215 16.271 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.391 -18.202 19.231 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.586 -19.827 17.380 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.857 -20.109 19.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.034 -20.335 16.970 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.075 -21.691 17.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.940 -20.898 19.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.218 -20.150 19.007 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.388 -23.116 18.858 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.860 -22.507 19.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.734 -22.828 17.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.958 -21.377 17.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.219 -22.867 16.775 1.00 0.00 H new ATOM 187 N SER A 31 -12.815 -17.652 19.545 1.00 0.00 N ATOM 188 CA SER A 31 -11.511 -16.957 19.859 1.00 0.00 C ATOM 189 C SER A 31 -10.379 -17.679 19.325 1.00 0.00 C ATOM 190 O SER A 31 -10.423 -18.809 18.871 1.00 0.00 O ATOM 191 CB SER A 31 -11.270 -16.838 21.383 1.00 0.00 C ATOM 192 OG SER A 31 -11.178 -18.190 21.883 1.00 0.00 O ATOM 0 H SER A 31 -13.123 -18.291 20.278 1.00 0.00 H new ATOM 0 HA SER A 31 -11.596 -15.970 19.404 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.355 -16.283 21.590 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.086 -16.299 21.865 1.00 0.00 H new ATOM 0 HG SER A 31 -11.497 -18.219 22.809 1.00 0.00 H new ATOM 198 N VAL A 32 -9.329 -16.925 19.415 1.00 0.00 N ATOM 199 CA VAL A 32 -8.099 -17.473 18.896 1.00 0.00 C ATOM 200 C VAL A 32 -7.623 -18.616 19.825 1.00 0.00 C ATOM 201 O VAL A 32 -7.151 -19.639 19.367 1.00 0.00 O ATOM 202 CB VAL A 32 -7.175 -16.251 18.813 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.355 -16.033 20.125 1.00 0.00 C ATOM 204 CG2 VAL A 32 -6.148 -16.438 17.708 1.00 0.00 C ATOM 0 H VAL A 32 -9.285 -15.987 19.814 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.161 -17.947 17.916 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.829 -15.398 18.631 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.717 -15.156 20.014 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.039 -15.881 20.960 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.736 -16.910 20.317 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.500 -15.563 17.662 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.547 -17.324 17.916 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.659 -16.562 16.753 1.00 0.00 H new ATOM 214 N GLU A 33 -7.765 -18.440 21.115 1.00 0.00 N ATOM 215 CA GLU A 33 -7.297 -19.508 22.047 1.00 0.00 C ATOM 216 C GLU A 33 -8.134 -20.754 21.841 1.00 0.00 C ATOM 217 O GLU A 33 -7.603 -21.837 21.646 1.00 0.00 O ATOM 218 CB GLU A 33 -7.367 -18.929 23.512 1.00 0.00 C ATOM 219 CG GLU A 33 -8.809 -18.733 24.126 1.00 0.00 C ATOM 220 CD GLU A 33 -9.509 -20.058 24.428 1.00 0.00 C ATOM 221 OE1 GLU A 33 -8.828 -21.016 24.773 1.00 0.00 O ATOM 222 OE2 GLU A 33 -10.721 -20.084 24.302 1.00 0.00 O ATOM 0 H GLU A 33 -8.177 -17.618 21.556 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.265 -19.803 21.856 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.805 -19.593 24.168 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.858 -17.965 23.522 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.732 -18.150 25.044 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.419 -18.155 23.432 1.00 0.00 H new ATOM 229 N GLU A 34 -9.417 -20.550 21.850 1.00 0.00 N ATOM 230 CA GLU A 34 -10.330 -21.697 21.651 1.00 0.00 C ATOM 231 C GLU A 34 -9.974 -22.285 20.307 1.00 0.00 C ATOM 232 O GLU A 34 -9.843 -23.480 20.188 1.00 0.00 O ATOM 233 CB GLU A 34 -11.775 -21.251 21.640 1.00 0.00 C ATOM 234 CG GLU A 34 -12.634 -22.548 21.777 1.00 0.00 C ATOM 235 CD GLU A 34 -14.006 -22.328 21.158 1.00 0.00 C ATOM 236 OE1 GLU A 34 -14.842 -21.763 21.844 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.116 -22.752 20.017 1.00 0.00 O ATOM 0 H GLU A 34 -9.868 -19.645 21.986 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.221 -22.419 22.460 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.976 -20.563 22.461 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.012 -20.723 20.716 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.132 -23.381 21.284 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.738 -22.816 22.828 1.00 0.00 H new ATOM 244 N ALA A 35 -9.816 -21.456 19.313 1.00 0.00 N ATOM 245 CA ALA A 35 -9.407 -22.000 18.005 1.00 0.00 C ATOM 246 C ALA A 35 -8.185 -22.906 18.179 1.00 0.00 C ATOM 247 O ALA A 35 -8.308 -24.055 17.833 1.00 0.00 O ATOM 248 CB ALA A 35 -9.116 -20.817 17.103 1.00 0.00 C ATOM 0 H ALA A 35 -9.951 -20.446 19.354 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.190 -22.613 17.559 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.809 -21.175 16.121 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.014 -20.207 17.002 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.316 -20.217 17.537 1.00 0.00 H new ATOM 254 N LYS A 36 -7.068 -22.445 18.703 1.00 0.00 N ATOM 255 CA LYS A 36 -5.868 -23.336 18.848 1.00 0.00 C ATOM 256 C LYS A 36 -6.340 -24.640 19.472 1.00 0.00 C ATOM 257 O LYS A 36 -6.176 -25.726 18.953 1.00 0.00 O ATOM 258 CB LYS A 36 -4.809 -22.680 19.777 1.00 0.00 C ATOM 259 CG LYS A 36 -3.705 -21.800 19.070 1.00 0.00 C ATOM 260 CD LYS A 36 -2.993 -20.945 20.198 1.00 0.00 C ATOM 261 CE LYS A 36 -1.628 -20.288 19.827 1.00 0.00 C ATOM 262 NZ LYS A 36 -0.553 -21.324 19.732 1.00 0.00 N ATOM 0 H LYS A 36 -6.937 -21.490 19.036 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.410 -23.505 17.873 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.331 -22.056 20.503 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.309 -23.470 20.337 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.983 -22.432 18.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.154 -21.149 18.320 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.677 -20.155 20.508 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.836 -21.588 21.064 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.718 -19.762 18.877 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.360 -19.546 20.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.234 -21.066 20.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.935 -22.248 20.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.210 -21.379 18.752 1.00 0.00 H new ATOM 276 N LYS A 37 -6.961 -24.409 20.585 1.00 0.00 N ATOM 277 CA LYS A 37 -7.440 -25.471 21.478 1.00 0.00 C ATOM 278 C LYS A 37 -8.204 -26.532 20.667 1.00 0.00 C ATOM 279 O LYS A 37 -7.922 -27.707 20.757 1.00 0.00 O ATOM 280 CB LYS A 37 -8.268 -24.719 22.543 1.00 0.00 C ATOM 281 CG LYS A 37 -8.676 -25.556 23.777 1.00 0.00 C ATOM 282 CD LYS A 37 -9.391 -24.568 24.779 1.00 0.00 C ATOM 283 CE LYS A 37 -10.753 -24.058 24.238 1.00 0.00 C ATOM 284 NZ LYS A 37 -10.926 -22.631 24.663 1.00 0.00 N ATOM 0 H LYS A 37 -7.164 -23.469 20.924 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.658 -26.048 21.972 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.694 -23.857 22.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.172 -24.334 22.071 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.345 -26.367 23.490 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.802 -26.012 24.241 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.548 -25.073 25.732 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.739 -23.717 24.973 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.783 -24.136 23.151 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.568 -24.670 24.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.563 -22.588 25.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.001 -22.231 24.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.334 -22.082 23.879 1.00 0.00 H new ATOM 298 N VAL A 38 -9.136 -26.057 19.894 1.00 0.00 N ATOM 299 CA VAL A 38 -9.993 -26.915 18.999 1.00 0.00 C ATOM 300 C VAL A 38 -9.230 -27.495 17.824 1.00 0.00 C ATOM 301 O VAL A 38 -9.241 -28.682 17.578 1.00 0.00 O ATOM 302 CB VAL A 38 -11.145 -26.101 18.385 1.00 0.00 C ATOM 303 CG1 VAL A 38 -11.940 -26.969 17.363 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.111 -25.530 19.421 1.00 0.00 C ATOM 0 H VAL A 38 -9.356 -25.063 19.837 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.354 -27.714 19.647 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.677 -25.254 17.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.751 -26.378 16.938 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.272 -27.295 16.566 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.353 -27.841 17.870 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.897 -24.969 18.915 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.557 -26.345 19.991 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.570 -24.868 20.097 1.00 0.00 H new ATOM 314 N ILE A 39 -8.580 -26.636 17.104 1.00 0.00 N ATOM 315 CA ILE A 39 -7.824 -27.043 15.891 1.00 0.00 C ATOM 316 C ILE A 39 -6.906 -28.187 16.222 1.00 0.00 C ATOM 317 O ILE A 39 -6.823 -29.183 15.542 1.00 0.00 O ATOM 318 CB ILE A 39 -7.032 -25.837 15.401 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.025 -24.826 14.846 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.165 -26.254 14.260 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.312 -23.651 14.187 1.00 0.00 C ATOM 0 H ILE A 39 -8.538 -25.638 17.310 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.505 -27.377 15.108 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.435 -25.427 16.216 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.675 -25.313 14.119 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.664 -24.461 15.651 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.595 -25.396 13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.479 -27.034 14.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.787 -26.637 13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.050 -22.948 13.801 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.682 -23.149 14.921 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.694 -24.015 13.366 1.00 0.00 H new ATOM 333 N LEU A 40 -6.204 -28.005 17.297 1.00 0.00 N ATOM 334 CA LEU A 40 -5.253 -29.023 17.777 1.00 0.00 C ATOM 335 C LEU A 40 -5.931 -30.365 17.976 1.00 0.00 C ATOM 336 O LEU A 40 -5.280 -31.383 17.852 1.00 0.00 O ATOM 337 CB LEU A 40 -4.663 -28.445 19.053 1.00 0.00 C ATOM 338 CG LEU A 40 -3.762 -27.261 18.690 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.296 -26.617 19.990 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.506 -27.746 17.957 1.00 0.00 C ATOM 0 H LEU A 40 -6.255 -27.167 17.877 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.464 -29.232 17.054 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.459 -28.121 19.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.090 -29.206 19.582 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.318 -26.570 18.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.651 -25.768 19.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.162 -26.274 20.557 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.742 -27.347 20.580 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.878 -26.891 17.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.951 -28.429 18.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.795 -28.263 17.042 1.00 0.00 H new ATOM 352 N GLN A 41 -7.205 -30.343 18.280 1.00 0.00 N ATOM 353 CA GLN A 41 -7.947 -31.642 18.453 1.00 0.00 C ATOM 354 C GLN A 41 -7.994 -32.399 17.104 1.00 0.00 C ATOM 355 O GLN A 41 -7.945 -33.613 17.016 1.00 0.00 O ATOM 356 CB GLN A 41 -9.397 -31.396 18.893 1.00 0.00 C ATOM 357 CG GLN A 41 -9.920 -32.758 19.483 1.00 0.00 C ATOM 358 CD GLN A 41 -11.415 -33.030 19.315 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.074 -33.479 20.227 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.019 -32.804 18.194 1.00 0.00 N ATOM 0 H GLN A 41 -7.761 -29.499 18.415 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.423 -32.222 19.213 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.447 -30.604 19.641 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.010 -31.077 18.050 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.368 -33.571 19.012 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.683 -32.785 20.547 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.499 -32.426 17.402 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.015 -33.004 18.102 1.00 0.00 H new ATOM 369 N ASP A 42 -8.092 -31.568 16.112 1.00 0.00 N ATOM 370 CA ASP A 42 -8.228 -31.941 14.677 1.00 0.00 C ATOM 371 C ASP A 42 -6.946 -32.157 13.809 1.00 0.00 C ATOM 372 O ASP A 42 -6.810 -33.150 13.115 1.00 0.00 O ATOM 373 CB ASP A 42 -9.125 -30.823 14.119 1.00 0.00 C ATOM 374 CG ASP A 42 -10.542 -30.804 14.706 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.863 -31.586 15.596 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.195 -29.937 14.143 1.00 0.00 O ATOM 0 H ASP A 42 -8.082 -30.558 16.253 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.625 -32.955 14.622 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.651 -29.861 14.312 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.193 -30.933 13.037 1.00 0.00 H new ATOM 381 N LYS A 43 -6.031 -31.227 13.853 1.00 0.00 N ATOM 382 CA LYS A 43 -4.786 -31.328 12.995 1.00 0.00 C ATOM 383 C LYS A 43 -3.448 -31.460 13.803 1.00 0.00 C ATOM 384 O LYS A 43 -2.669 -30.532 13.860 1.00 0.00 O ATOM 385 CB LYS A 43 -4.824 -30.072 12.090 1.00 0.00 C ATOM 386 CG LYS A 43 -3.829 -30.149 10.910 1.00 0.00 C ATOM 387 CD LYS A 43 -4.381 -31.150 9.835 1.00 0.00 C ATOM 388 CE LYS A 43 -3.392 -31.318 8.682 1.00 0.00 C ATOM 389 NZ LYS A 43 -2.239 -32.067 9.253 1.00 0.00 N ATOM 0 H LYS A 43 -6.080 -30.396 14.442 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.794 -32.252 12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.833 -29.943 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.599 -29.191 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.692 -29.162 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.852 -30.478 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.572 -32.118 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.334 -30.787 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.844 -31.864 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.077 -30.351 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.366 -31.518 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.395 -32.222 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.149 -32.985 8.772 1.00 0.00 H new ATOM 403 N PRO A 44 -3.239 -32.623 14.402 1.00 0.00 N ATOM 404 CA PRO A 44 -2.066 -33.009 15.252 1.00 0.00 C ATOM 405 C PRO A 44 -0.787 -32.150 15.351 1.00 0.00 C ATOM 406 O PRO A 44 -0.195 -32.024 16.405 1.00 0.00 O ATOM 407 CB PRO A 44 -1.756 -34.431 14.778 1.00 0.00 C ATOM 408 CG PRO A 44 -3.115 -34.985 14.267 1.00 0.00 C ATOM 409 CD PRO A 44 -4.130 -33.816 14.321 1.00 0.00 C ATOM 0 HA PRO A 44 -2.382 -32.863 16.285 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.007 -34.429 13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.360 -35.041 15.590 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.019 -35.365 13.250 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.451 -35.816 14.887 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.766 -33.789 13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.790 -33.890 15.186 1.00 0.00 H new ATOM 417 N GLU A 45 -0.393 -31.594 14.243 1.00 0.00 N ATOM 418 CA GLU A 45 0.851 -30.801 14.089 1.00 0.00 C ATOM 419 C GLU A 45 0.691 -29.273 14.324 1.00 0.00 C ATOM 420 O GLU A 45 1.626 -28.592 14.702 1.00 0.00 O ATOM 421 CB GLU A 45 1.355 -31.086 12.643 1.00 0.00 C ATOM 422 CG GLU A 45 1.063 -32.563 12.102 1.00 0.00 C ATOM 423 CD GLU A 45 -0.171 -32.595 11.182 1.00 0.00 C ATOM 424 OE1 GLU A 45 -1.192 -32.111 11.636 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.089 -33.083 10.063 1.00 0.00 O ATOM 0 H GLU A 45 -0.927 -31.666 13.377 1.00 0.00 H new ATOM 0 HA GLU A 45 1.559 -31.105 14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.891 -30.369 11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.430 -30.909 12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.933 -32.931 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.907 -33.236 12.945 1.00 0.00 H new ATOM 432 N ALA A 46 -0.511 -28.825 14.115 1.00 0.00 N ATOM 433 CA ALA A 46 -0.862 -27.372 14.101 1.00 0.00 C ATOM 434 C ALA A 46 -0.234 -26.329 15.075 1.00 0.00 C ATOM 435 O ALA A 46 -0.798 -25.909 16.070 1.00 0.00 O ATOM 436 CB ALA A 46 -2.400 -27.353 14.211 1.00 0.00 C ATOM 0 H ALA A 46 -1.309 -29.437 13.944 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.397 -26.996 13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.752 -26.321 14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.832 -27.886 13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.704 -27.838 15.138 1.00 0.00 H new ATOM 442 N GLN A 47 0.953 -25.905 14.736 1.00 0.00 N ATOM 443 CA GLN A 47 1.702 -24.850 15.494 1.00 0.00 C ATOM 444 C GLN A 47 1.051 -23.504 15.102 1.00 0.00 C ATOM 445 O GLN A 47 1.648 -22.691 14.411 1.00 0.00 O ATOM 446 CB GLN A 47 3.198 -24.858 15.062 1.00 0.00 C ATOM 447 CG GLN A 47 3.811 -26.262 15.224 1.00 0.00 C ATOM 448 CD GLN A 47 3.810 -26.659 16.690 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.488 -26.079 17.505 1.00 0.00 O ATOM 450 NE2 GLN A 47 3.066 -27.632 17.086 1.00 0.00 N ATOM 0 H GLN A 47 1.460 -26.262 13.926 1.00 0.00 H new ATOM 0 HA GLN A 47 1.660 -25.018 16.570 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.282 -24.538 14.023 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.758 -24.141 15.663 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.242 -26.986 14.641 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.830 -26.271 14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.485 -28.136 16.415 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.057 -27.899 18.070 1.00 0.00 H new ATOM 459 N ILE A 48 -0.157 -23.318 15.563 1.00 0.00 N ATOM 460 CA ILE A 48 -0.903 -22.064 15.219 1.00 0.00 C ATOM 461 C ILE A 48 -0.368 -20.824 15.937 1.00 0.00 C ATOM 462 O ILE A 48 -0.162 -20.828 17.130 1.00 0.00 O ATOM 463 CB ILE A 48 -2.361 -22.277 15.584 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.935 -23.388 14.695 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.214 -20.979 15.394 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.714 -24.437 15.468 1.00 0.00 C ATOM 0 H ILE A 48 -0.661 -23.974 16.160 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.775 -21.876 14.153 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.407 -22.552 16.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.587 -22.942 13.944 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.119 -23.873 14.160 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.250 -21.181 15.668 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.818 -20.187 16.030 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.169 -20.663 14.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.091 -25.192 14.778 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.060 -24.910 16.201 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.551 -23.964 15.981 1.00 0.00 H new ATOM 478 N ILE A 49 -0.162 -19.790 15.183 1.00 0.00 N ATOM 479 CA ILE A 49 0.325 -18.505 15.776 1.00 0.00 C ATOM 480 C ILE A 49 -0.849 -17.509 15.702 1.00 0.00 C ATOM 481 O ILE A 49 -1.779 -17.719 14.951 1.00 0.00 O ATOM 482 CB ILE A 49 1.562 -18.069 14.969 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.883 -18.697 15.520 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.747 -16.532 14.930 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.876 -20.240 15.487 1.00 0.00 C ATOM 0 H ILE A 49 -0.308 -19.771 14.174 1.00 0.00 H new ATOM 0 HA ILE A 49 0.631 -18.581 16.819 1.00 0.00 H new ATOM 0 HB ILE A 49 1.371 -18.434 13.960 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.725 -18.330 14.934 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.038 -18.362 16.545 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.635 -16.287 14.347 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.873 -16.072 14.470 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.864 -16.154 15.946 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.820 -20.617 15.882 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.053 -20.613 16.096 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.751 -20.581 14.459 1.00 0.00 H new ATOM 497 N VAL A 50 -0.789 -16.460 16.465 1.00 0.00 N ATOM 498 CA VAL A 50 -1.900 -15.465 16.463 1.00 0.00 C ATOM 499 C VAL A 50 -1.683 -14.442 15.330 1.00 0.00 C ATOM 500 O VAL A 50 -0.758 -13.653 15.334 1.00 0.00 O ATOM 501 CB VAL A 50 -1.909 -14.840 17.887 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.548 -14.229 18.290 1.00 0.00 C ATOM 503 CG2 VAL A 50 -2.977 -13.740 17.956 1.00 0.00 C ATOM 0 H VAL A 50 -0.016 -16.244 17.095 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.876 -15.907 16.261 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.126 -15.650 18.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.620 -13.810 19.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.218 -15.005 18.275 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.280 -13.441 17.586 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.984 -13.302 18.954 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.751 -12.967 17.222 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.956 -14.169 17.742 1.00 0.00 H new ATOM 513 N LEU A 51 -2.579 -14.508 14.374 1.00 0.00 N ATOM 514 CA LEU A 51 -2.518 -13.626 13.161 1.00 0.00 C ATOM 515 C LEU A 51 -3.718 -12.618 13.087 1.00 0.00 C ATOM 516 O LEU A 51 -4.803 -13.024 12.714 1.00 0.00 O ATOM 517 CB LEU A 51 -2.538 -14.529 11.881 1.00 0.00 C ATOM 518 CG LEU A 51 -1.212 -15.013 11.198 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.049 -13.984 11.112 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.854 -16.504 11.473 1.00 0.00 C ATOM 0 H LEU A 51 -3.370 -15.152 14.383 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.600 -13.041 13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.109 -15.423 12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.107 -13.991 11.123 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.463 -15.038 10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.808 -14.444 10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.374 -13.115 10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.235 -13.671 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.076 -16.755 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.733 -16.657 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.654 -17.145 11.103 1.00 0.00 H new ATOM 532 N PRO A 52 -3.592 -11.352 13.440 1.00 0.00 N ATOM 533 CA PRO A 52 -4.756 -10.412 13.243 1.00 0.00 C ATOM 534 C PRO A 52 -5.033 -10.261 11.709 1.00 0.00 C ATOM 535 O PRO A 52 -4.116 -10.042 10.943 1.00 0.00 O ATOM 536 CB PRO A 52 -4.296 -9.125 13.955 1.00 0.00 C ATOM 537 CG PRO A 52 -2.733 -9.197 13.935 1.00 0.00 C ATOM 538 CD PRO A 52 -2.394 -10.700 14.054 1.00 0.00 C ATOM 0 HA PRO A 52 -5.709 -10.742 13.656 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.658 -8.236 13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.677 -9.079 14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.331 -8.775 13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.302 -8.630 14.760 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.477 -10.953 13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.254 -11.003 15.091 1.00 0.00 H new ATOM 546 N VAL A 53 -6.258 -10.381 11.259 1.00 0.00 N ATOM 547 CA VAL A 53 -6.544 -10.288 9.787 1.00 0.00 C ATOM 548 C VAL A 53 -5.864 -9.128 9.125 1.00 0.00 C ATOM 549 O VAL A 53 -6.041 -7.974 9.464 1.00 0.00 O ATOM 550 CB VAL A 53 -8.048 -10.219 9.514 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.244 -9.980 7.991 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.651 -11.602 9.802 1.00 0.00 C ATOM 0 H VAL A 53 -7.076 -10.540 11.847 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.135 -11.201 9.353 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.506 -9.438 10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.309 -9.926 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.765 -9.044 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.796 -10.802 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.724 -11.577 9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.186 -12.344 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.471 -11.868 10.844 1.00 0.00 H new ATOM 562 N GLY A 54 -5.091 -9.542 8.158 1.00 0.00 N ATOM 563 CA GLY A 54 -4.246 -8.529 7.408 1.00 0.00 C ATOM 564 C GLY A 54 -2.724 -8.733 7.537 1.00 0.00 C ATOM 565 O GLY A 54 -1.994 -8.385 6.632 1.00 0.00 O ATOM 0 H GLY A 54 -4.998 -10.510 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.515 -8.564 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.496 -7.531 7.768 1.00 0.00 H new ATOM 569 N THR A 55 -2.280 -9.269 8.646 1.00 0.00 N ATOM 570 CA THR A 55 -0.836 -9.602 8.921 1.00 0.00 C ATOM 571 C THR A 55 -0.247 -10.348 7.706 1.00 0.00 C ATOM 572 O THR A 55 -0.344 -11.550 7.608 1.00 0.00 O ATOM 573 CB THR A 55 -0.951 -10.396 10.148 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.613 -9.534 11.069 1.00 0.00 O ATOM 575 CG2 THR A 55 0.152 -10.679 10.959 1.00 0.00 C ATOM 0 H THR A 55 -2.897 -9.505 9.423 1.00 0.00 H new ATOM 0 HA THR A 55 -0.153 -8.764 9.060 1.00 0.00 H new ATOM 0 HB THR A 55 -1.351 -11.333 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.462 -9.939 11.344 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.167 -11.279 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.895 -11.232 10.383 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.590 -9.747 11.316 1.00 0.00 H new ATOM 583 N ILE A 56 0.361 -9.651 6.782 1.00 0.00 N ATOM 584 CA ILE A 56 0.866 -10.361 5.553 1.00 0.00 C ATOM 585 C ILE A 56 1.750 -11.589 5.807 1.00 0.00 C ATOM 586 O ILE A 56 2.925 -11.530 6.119 1.00 0.00 O ATOM 587 CB ILE A 56 1.685 -9.408 4.646 1.00 0.00 C ATOM 588 CG1 ILE A 56 0.891 -8.147 4.288 1.00 0.00 C ATOM 589 CG2 ILE A 56 2.081 -10.166 3.328 1.00 0.00 C ATOM 590 CD1 ILE A 56 -0.363 -8.408 3.424 1.00 0.00 C ATOM 0 H ILE A 56 0.530 -8.646 6.815 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.054 -10.703 5.079 1.00 0.00 H new ATOM 0 HB ILE A 56 2.576 -9.100 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.586 -7.650 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.547 -7.458 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.658 -9.501 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.682 -11.040 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.178 -10.483 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.865 -7.463 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.067 -8.875 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.043 -9.070 3.960 1.00 0.00 H new ATOM 602 N VAL A 57 1.088 -12.691 5.651 1.00 0.00 N ATOM 603 CA VAL A 57 1.777 -14.019 5.769 1.00 0.00 C ATOM 604 C VAL A 57 1.953 -14.520 4.322 1.00 0.00 C ATOM 605 O VAL A 57 1.584 -13.869 3.363 1.00 0.00 O ATOM 606 CB VAL A 57 0.919 -15.057 6.628 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.839 -14.563 8.068 1.00 0.00 C ATOM 608 CG2 VAL A 57 -0.478 -15.248 6.053 1.00 0.00 C ATOM 0 H VAL A 57 0.090 -12.741 5.445 1.00 0.00 H new ATOM 0 HA VAL A 57 2.731 -13.922 6.288 1.00 0.00 H new ATOM 0 HB VAL A 57 1.414 -16.028 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.255 -15.266 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.844 -14.486 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.361 -13.584 8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.029 -15.961 6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.003 -14.293 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.403 -15.627 5.034 1.00 0.00 H new ATOM 618 N THR A 58 2.512 -15.674 4.184 1.00 0.00 N ATOM 619 CA THR A 58 2.858 -16.232 2.854 1.00 0.00 C ATOM 620 C THR A 58 1.780 -17.101 2.191 1.00 0.00 C ATOM 621 O THR A 58 0.911 -17.632 2.852 1.00 0.00 O ATOM 622 CB THR A 58 4.187 -17.002 3.057 1.00 0.00 C ATOM 623 OG1 THR A 58 4.710 -16.849 4.377 1.00 0.00 O ATOM 624 CG2 THR A 58 5.344 -16.575 2.139 1.00 0.00 C ATOM 0 H THR A 58 2.755 -16.281 4.967 1.00 0.00 H new ATOM 0 HA THR A 58 2.951 -15.412 2.142 1.00 0.00 H new ATOM 0 HB THR A 58 3.884 -18.024 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.547 -17.353 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.226 -17.175 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.057 -16.725 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.570 -15.522 2.305 1.00 0.00 H new ATOM 632 N MET A 59 1.856 -17.248 0.893 1.00 0.00 N ATOM 633 CA MET A 59 0.895 -18.136 0.149 1.00 0.00 C ATOM 634 C MET A 59 1.526 -19.558 0.044 1.00 0.00 C ATOM 635 O MET A 59 1.419 -20.278 -0.933 1.00 0.00 O ATOM 636 CB MET A 59 0.647 -17.532 -1.260 1.00 0.00 C ATOM 637 CG MET A 59 0.209 -16.055 -1.154 1.00 0.00 C ATOM 638 SD MET A 59 1.491 -14.866 -0.683 1.00 0.00 S ATOM 639 CE MET A 59 2.266 -14.690 -2.314 1.00 0.00 C ATOM 0 H MET A 59 2.550 -16.787 0.305 1.00 0.00 H new ATOM 0 HA MET A 59 -0.060 -18.208 0.669 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.556 -17.604 -1.857 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.121 -18.107 -1.777 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.202 -15.751 -2.117 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.601 -15.990 -0.427 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.097 -13.987 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.636 -15.659 -2.647 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.531 -14.317 -3.028 1.00 0.00 H new ATOM 649 N GLU A 60 2.175 -19.857 1.134 1.00 0.00 N ATOM 650 CA GLU A 60 2.927 -21.096 1.434 1.00 0.00 C ATOM 651 C GLU A 60 1.998 -22.227 1.906 1.00 0.00 C ATOM 652 O GLU A 60 0.785 -22.137 1.852 1.00 0.00 O ATOM 653 CB GLU A 60 3.948 -20.680 2.520 1.00 0.00 C ATOM 654 CG GLU A 60 3.197 -20.305 3.859 1.00 0.00 C ATOM 655 CD GLU A 60 4.080 -19.739 4.986 1.00 0.00 C ATOM 656 OE1 GLU A 60 5.252 -20.029 5.078 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.488 -18.996 5.759 1.00 0.00 O ATOM 0 H GLU A 60 2.209 -19.202 1.915 1.00 0.00 H new ATOM 0 HA GLU A 60 3.422 -21.502 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.648 -21.495 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.534 -19.829 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.423 -19.573 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.691 -21.196 4.232 1.00 0.00 H new ATOM 664 N TYR A 61 2.612 -23.291 2.349 1.00 0.00 N ATOM 665 CA TYR A 61 1.820 -24.408 2.938 1.00 0.00 C ATOM 666 C TYR A 61 2.493 -24.855 4.250 1.00 0.00 C ATOM 667 O TYR A 61 3.244 -25.816 4.313 1.00 0.00 O ATOM 668 CB TYR A 61 1.730 -25.590 1.932 1.00 0.00 C ATOM 669 CG TYR A 61 0.355 -26.233 2.113 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.005 -26.601 3.371 1.00 0.00 C ATOM 671 CD2 TYR A 61 -0.535 -26.442 1.085 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.207 -27.170 3.642 1.00 0.00 C ATOM 673 CE2 TYR A 61 -1.771 -27.021 1.348 1.00 0.00 C ATOM 674 CZ TYR A 61 -2.107 -27.387 2.634 1.00 0.00 C ATOM 675 OH TYR A 61 -3.325 -27.955 2.928 1.00 0.00 O ATOM 0 H TYR A 61 3.622 -23.434 2.329 1.00 0.00 H new ATOM 0 HA TYR A 61 0.805 -24.072 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.857 -25.235 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.522 -26.316 2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.703 -26.440 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.274 -26.157 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.456 -27.450 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.471 -27.185 0.542 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.852 -28.042 2.106 1.00 0.00 H new ATOM 685 N ARG A 62 2.197 -24.134 5.295 1.00 0.00 N ATOM 686 CA ARG A 62 2.757 -24.506 6.618 1.00 0.00 C ATOM 687 C ARG A 62 1.719 -25.464 7.117 1.00 0.00 C ATOM 688 O ARG A 62 0.842 -25.236 7.919 1.00 0.00 O ATOM 689 CB ARG A 62 2.878 -23.289 7.536 1.00 0.00 C ATOM 690 CG ARG A 62 3.776 -22.274 6.853 1.00 0.00 C ATOM 691 CD ARG A 62 5.035 -22.917 6.251 1.00 0.00 C ATOM 692 NE ARG A 62 5.642 -23.846 7.250 1.00 0.00 N ATOM 693 CZ ARG A 62 6.892 -24.089 7.314 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.722 -23.135 7.177 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.189 -25.305 7.516 1.00 0.00 N ATOM 0 H ARG A 62 1.596 -23.310 5.288 1.00 0.00 H new ATOM 0 HA ARG A 62 3.765 -24.920 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.895 -22.859 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.295 -23.579 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.216 -21.770 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.070 -21.510 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.780 -23.460 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.753 -22.146 5.972 1.00 0.00 H new ATOM 0 HE ARG A 62 5.025 -24.310 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.386 -22.185 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.724 -23.320 7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.450 -26.001 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.167 -25.587 7.581 1.00 0.00 H new ATOM 709 N ILE A 63 1.883 -26.610 6.546 1.00 0.00 N ATOM 710 CA ILE A 63 0.970 -27.749 6.867 1.00 0.00 C ATOM 711 C ILE A 63 1.177 -28.295 8.309 1.00 0.00 C ATOM 712 O ILE A 63 0.505 -29.160 8.838 1.00 0.00 O ATOM 713 CB ILE A 63 1.208 -28.786 5.727 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.335 -30.007 5.911 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.672 -29.184 5.638 1.00 0.00 C ATOM 716 CD1 ILE A 63 -1.160 -29.674 5.762 1.00 0.00 C ATOM 0 H ILE A 63 2.612 -26.819 5.864 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.079 -27.452 6.889 1.00 0.00 H new ATOM 0 HB ILE A 63 0.932 -28.308 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.612 -30.765 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.514 -30.436 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.804 -29.908 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.277 -28.301 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.986 -29.629 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.750 -30.580 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.445 -28.936 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.345 -29.270 4.767 1.00 0.00 H new ATOM 728 N ASP A 64 2.157 -27.677 8.880 1.00 0.00 N ATOM 729 CA ASP A 64 2.623 -27.831 10.278 1.00 0.00 C ATOM 730 C ASP A 64 1.769 -26.861 11.145 1.00 0.00 C ATOM 731 O ASP A 64 1.812 -26.826 12.356 1.00 0.00 O ATOM 732 CB ASP A 64 4.111 -27.436 10.229 1.00 0.00 C ATOM 733 CG ASP A 64 4.300 -26.086 9.526 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.017 -25.059 10.115 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.727 -26.138 8.388 1.00 0.00 O ATOM 0 H ASP A 64 2.715 -26.993 8.370 1.00 0.00 H new ATOM 0 HA ASP A 64 2.519 -28.829 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.510 -27.381 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.678 -28.205 9.705 1.00 0.00 H new ATOM 740 N ARG A 65 0.988 -26.080 10.451 1.00 0.00 N ATOM 741 CA ARG A 65 0.210 -24.951 11.037 1.00 0.00 C ATOM 742 C ARG A 65 -1.194 -24.594 10.477 1.00 0.00 C ATOM 743 O ARG A 65 -1.451 -24.791 9.307 1.00 0.00 O ATOM 744 CB ARG A 65 1.226 -23.922 10.863 1.00 0.00 C ATOM 745 CG ARG A 65 0.833 -22.466 11.043 1.00 0.00 C ATOM 746 CD ARG A 65 2.016 -21.651 10.471 1.00 0.00 C ATOM 747 NE ARG A 65 3.301 -22.366 10.850 1.00 0.00 N ATOM 748 CZ ARG A 65 4.189 -21.817 11.573 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.052 -21.818 12.840 1.00 0.00 N ATOM 750 NH2 ARG A 65 5.187 -21.286 10.990 1.00 0.00 N ATOM 0 H ARG A 65 0.852 -26.186 9.446 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.154 -25.158 12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.034 -24.134 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.637 -24.031 9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.093 -22.240 10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.665 -22.231 12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.932 -21.566 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.011 -20.637 10.872 1.00 0.00 H new ATOM 0 HE ARG A 65 3.456 -23.316 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.235 -22.257 13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.759 -21.380 13.430 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.255 -21.310 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.919 -20.836 11.540 1.00 0.00 H new ATOM 764 N VAL A 66 -2.050 -24.058 11.313 1.00 0.00 N ATOM 765 CA VAL A 66 -3.377 -23.581 10.820 1.00 0.00 C ATOM 766 C VAL A 66 -3.337 -22.050 10.945 1.00 0.00 C ATOM 767 O VAL A 66 -3.373 -21.501 12.036 1.00 0.00 O ATOM 768 CB VAL A 66 -4.522 -24.158 11.662 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.873 -23.992 10.955 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.440 -25.612 11.719 1.00 0.00 C ATOM 0 H VAL A 66 -1.887 -23.931 12.312 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.556 -23.902 9.794 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.445 -23.650 12.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.663 -24.411 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.067 -22.933 10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.850 -24.514 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.262 -25.999 12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.506 -26.020 10.710 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.491 -25.906 12.168 1.00 0.00 H new ATOM 780 N ARG A 67 -3.261 -21.413 9.802 1.00 0.00 N ATOM 781 CA ARG A 67 -3.149 -19.917 9.793 1.00 0.00 C ATOM 782 C ARG A 67 -4.429 -19.390 10.416 1.00 0.00 C ATOM 783 O ARG A 67 -5.498 -19.754 9.944 1.00 0.00 O ATOM 784 CB ARG A 67 -3.025 -19.416 8.346 1.00 0.00 C ATOM 785 CG ARG A 67 -2.184 -18.141 8.276 1.00 0.00 C ATOM 786 CD ARG A 67 -0.783 -18.409 8.821 1.00 0.00 C ATOM 787 NE ARG A 67 -0.192 -19.591 8.103 1.00 0.00 N ATOM 788 CZ ARG A 67 0.904 -19.458 7.469 1.00 0.00 C ATOM 789 NH1 ARG A 67 1.901 -18.913 8.039 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.944 -19.886 6.288 1.00 0.00 N ATOM 0 H ARG A 67 -3.271 -21.856 8.883 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.272 -19.578 10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.570 -20.190 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.017 -19.224 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.122 -17.793 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.662 -17.348 8.852 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.152 -17.531 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.828 -18.604 9.892 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.666 -20.494 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.821 -18.584 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.781 -18.805 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.118 -20.319 5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.802 -19.800 5.743 1.00 0.00 H new ATOM 804 N LEU A 68 -4.297 -18.574 11.437 1.00 0.00 N ATOM 805 CA LEU A 68 -5.469 -18.070 12.143 1.00 0.00 C ATOM 806 C LEU A 68 -5.612 -16.556 11.989 1.00 0.00 C ATOM 807 O LEU A 68 -5.296 -15.804 12.888 1.00 0.00 O ATOM 808 CB LEU A 68 -5.241 -18.615 13.594 1.00 0.00 C ATOM 809 CG LEU A 68 -6.224 -18.097 14.644 1.00 0.00 C ATOM 810 CD1 LEU A 68 -7.638 -18.128 14.113 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.206 -19.091 15.838 1.00 0.00 C ATOM 0 H LEU A 68 -3.403 -18.244 11.800 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.433 -18.404 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.299 -19.703 13.570 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.229 -18.357 13.907 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.938 -17.082 14.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.321 -17.755 14.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.707 -17.499 13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.907 -19.152 13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.899 -18.749 16.607 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.507 -20.080 15.493 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.200 -19.142 16.254 1.00 0.00 H new ATOM 823 N PHE A 69 -6.036 -16.158 10.813 1.00 0.00 N ATOM 824 CA PHE A 69 -6.428 -14.738 10.646 1.00 0.00 C ATOM 825 C PHE A 69 -7.791 -14.434 11.361 1.00 0.00 C ATOM 826 O PHE A 69 -8.907 -14.755 10.972 1.00 0.00 O ATOM 827 CB PHE A 69 -6.382 -14.486 9.056 1.00 0.00 C ATOM 828 CG PHE A 69 -4.941 -14.208 8.884 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.578 -13.051 9.494 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.014 -14.977 8.232 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.315 -12.619 9.477 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.759 -14.535 8.221 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.375 -13.378 8.818 1.00 0.00 C ATOM 0 H PHE A 69 -6.124 -16.745 9.984 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.757 -14.030 11.134 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.710 -15.355 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.008 -13.648 8.748 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.329 -12.466 10.005 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.290 -15.902 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.038 -11.698 9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.010 -15.125 7.713 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.345 -13.057 8.776 1.00 0.00 H new ATOM 843 N VAL A 70 -7.548 -13.765 12.465 1.00 0.00 N ATOM 844 CA VAL A 70 -8.645 -13.388 13.453 1.00 0.00 C ATOM 845 C VAL A 70 -8.970 -11.892 13.412 1.00 0.00 C ATOM 846 O VAL A 70 -8.238 -11.183 12.775 1.00 0.00 O ATOM 847 CB VAL A 70 -8.201 -13.759 14.886 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.627 -15.135 14.923 1.00 0.00 C ATOM 849 CG2 VAL A 70 -7.076 -12.896 15.450 1.00 0.00 C ATOM 0 H VAL A 70 -6.617 -13.452 12.740 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.541 -13.940 13.169 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.113 -13.631 15.468 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.321 -15.374 15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.378 -15.852 14.592 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.761 -15.186 14.263 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.832 -13.230 16.459 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.195 -12.986 14.815 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.396 -11.855 15.480 1.00 0.00 H new ATOM 859 N ASP A 71 -9.972 -11.351 14.047 1.00 0.00 N ATOM 860 CA ASP A 71 -10.184 -9.890 13.799 1.00 0.00 C ATOM 861 C ASP A 71 -9.288 -9.002 14.668 1.00 0.00 C ATOM 862 O ASP A 71 -8.162 -9.293 15.037 1.00 0.00 O ATOM 863 CB ASP A 71 -11.696 -9.550 14.039 1.00 0.00 C ATOM 864 CG ASP A 71 -12.032 -9.269 15.479 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.792 -10.162 16.266 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.481 -8.148 15.668 1.00 0.00 O ATOM 0 H ASP A 71 -10.617 -11.815 14.686 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.907 -9.681 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.964 -8.682 13.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.306 -10.382 13.688 1.00 0.00 H new ATOM 871 N LYS A 72 -9.894 -7.899 14.959 1.00 0.00 N ATOM 872 CA LYS A 72 -9.254 -6.849 15.790 1.00 0.00 C ATOM 873 C LYS A 72 -9.574 -7.024 17.295 1.00 0.00 C ATOM 874 O LYS A 72 -9.297 -6.186 18.137 1.00 0.00 O ATOM 875 CB LYS A 72 -9.754 -5.514 15.187 1.00 0.00 C ATOM 876 CG LYS A 72 -8.982 -4.289 15.748 1.00 0.00 C ATOM 877 CD LYS A 72 -9.995 -3.161 16.087 1.00 0.00 C ATOM 878 CE LYS A 72 -10.853 -3.599 17.281 1.00 0.00 C ATOM 879 NZ LYS A 72 -9.962 -3.596 18.483 1.00 0.00 N ATOM 0 H LYS A 72 -10.838 -7.670 14.647 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.165 -6.897 15.765 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.645 -5.544 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.817 -5.398 15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.423 -4.573 16.640 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.256 -3.935 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.465 -2.238 16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.629 -2.953 15.225 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.693 -2.919 17.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.270 -4.592 17.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.514 -3.332 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.558 -4.545 18.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.193 -2.909 18.344 1.00 0.00 H new ATOM 893 N LEU A 73 -10.182 -8.145 17.523 1.00 0.00 N ATOM 894 CA LEU A 73 -10.613 -8.691 18.852 1.00 0.00 C ATOM 895 C LEU A 73 -10.390 -10.258 18.899 1.00 0.00 C ATOM 896 O LEU A 73 -11.197 -10.951 19.484 1.00 0.00 O ATOM 897 CB LEU A 73 -12.087 -8.327 18.961 1.00 0.00 C ATOM 898 CG LEU A 73 -12.357 -6.823 18.762 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.857 -6.616 18.537 1.00 0.00 C ATOM 900 CD2 LEU A 73 -11.942 -6.013 20.010 1.00 0.00 C ATOM 0 H LEU A 73 -10.425 -8.776 16.759 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.040 -8.281 19.684 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.650 -8.892 18.218 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.458 -8.630 19.940 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.776 -6.480 17.906 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.061 -5.555 18.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.172 -7.168 17.651 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.408 -6.978 19.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.144 -4.955 19.841 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.511 -6.358 20.873 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.878 -6.154 20.198 1.00 0.00 H new ATOM 912 N ASP A 74 -9.332 -10.745 18.292 1.00 0.00 N ATOM 913 CA ASP A 74 -8.984 -12.190 18.189 1.00 0.00 C ATOM 914 C ASP A 74 -10.139 -13.212 18.023 1.00 0.00 C ATOM 915 O ASP A 74 -10.044 -14.382 18.345 1.00 0.00 O ATOM 916 CB ASP A 74 -8.041 -12.401 19.446 1.00 0.00 C ATOM 917 CG ASP A 74 -8.683 -13.080 20.672 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.774 -14.302 20.688 1.00 0.00 O ATOM 919 OD2 ASP A 74 -9.051 -12.310 21.538 1.00 0.00 O ATOM 0 H ASP A 74 -8.649 -10.144 17.831 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.501 -12.414 17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.183 -12.997 19.134 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.658 -11.428 19.754 1.00 0.00 H new ATOM 924 N ASN A 75 -11.220 -12.734 17.471 1.00 0.00 N ATOM 925 CA ASN A 75 -12.376 -13.620 17.188 1.00 0.00 C ATOM 926 C ASN A 75 -12.264 -13.831 15.678 1.00 0.00 C ATOM 927 O ASN A 75 -12.027 -12.922 14.901 1.00 0.00 O ATOM 928 CB ASN A 75 -13.652 -12.879 17.646 1.00 0.00 C ATOM 929 CG ASN A 75 -13.664 -12.915 19.156 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.592 -13.935 19.813 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.761 -11.781 19.745 1.00 0.00 N ATOM 0 H ASN A 75 -11.350 -11.758 17.203 1.00 0.00 H new ATOM 0 HA ASN A 75 -12.403 -14.582 17.701 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.652 -11.851 17.285 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.543 -13.359 17.241 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.778 -11.735 20.764 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.821 -10.924 19.195 1.00 0.00 H new ATOM 938 N ILE A 76 -12.438 -15.072 15.334 1.00 0.00 N ATOM 939 CA ILE A 76 -12.259 -15.523 13.946 1.00 0.00 C ATOM 940 C ILE A 76 -13.207 -14.899 12.977 1.00 0.00 C ATOM 941 O ILE A 76 -14.418 -14.992 12.962 1.00 0.00 O ATOM 942 CB ILE A 76 -12.329 -17.035 13.937 1.00 0.00 C ATOM 943 CG1 ILE A 76 -11.007 -17.275 14.721 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.193 -17.516 12.428 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.781 -18.653 15.001 1.00 0.00 C ATOM 0 H ILE A 76 -12.706 -15.810 15.985 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.282 -15.190 13.595 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.217 -17.526 14.335 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.170 -16.883 14.144 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.037 -16.718 15.657 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.240 -18.604 12.387 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.007 -17.096 11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.239 -17.179 12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.846 -18.764 15.549 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.603 -19.042 15.603 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.722 -19.209 14.066 1.00 0.00 H new ATOM 957 N ALA A 77 -12.427 -14.277 12.163 1.00 0.00 N ATOM 958 CA ALA A 77 -12.825 -13.380 11.100 1.00 0.00 C ATOM 959 C ALA A 77 -12.937 -14.096 9.758 1.00 0.00 C ATOM 960 O ALA A 77 -13.941 -14.004 9.081 1.00 0.00 O ATOM 961 CB ALA A 77 -11.730 -12.369 11.388 1.00 0.00 C ATOM 0 H ALA A 77 -11.414 -14.381 12.216 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.815 -12.926 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.807 -11.539 10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.840 -11.994 12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.756 -12.847 11.280 1.00 0.00 H new ATOM 967 N GLN A 78 -11.901 -14.795 9.431 1.00 0.00 N ATOM 968 CA GLN A 78 -11.885 -15.558 8.139 1.00 0.00 C ATOM 969 C GLN A 78 -11.792 -17.017 8.551 1.00 0.00 C ATOM 970 O GLN A 78 -11.410 -17.270 9.678 1.00 0.00 O ATOM 971 CB GLN A 78 -10.658 -15.109 7.306 1.00 0.00 C ATOM 972 CG GLN A 78 -10.646 -15.952 5.974 1.00 0.00 C ATOM 973 CD GLN A 78 -9.777 -15.347 4.881 1.00 0.00 C ATOM 974 OE1 GLN A 78 -9.651 -15.875 3.802 1.00 0.00 O ATOM 975 NE2 GLN A 78 -9.139 -14.239 5.054 1.00 0.00 N ATOM 0 H GLN A 78 -11.055 -14.880 9.995 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.765 -15.389 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.716 -14.044 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.737 -15.267 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.291 -16.959 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.667 -16.047 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.206 -13.746 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.568 -13.856 4.301 1.00 0.00 H new ATOM 984 N VAL A 79 -12.108 -17.972 7.711 1.00 0.00 N ATOM 985 CA VAL A 79 -11.984 -19.346 8.285 1.00 0.00 C ATOM 986 C VAL A 79 -10.492 -19.699 8.405 1.00 0.00 C ATOM 987 O VAL A 79 -9.726 -19.419 7.502 1.00 0.00 O ATOM 988 CB VAL A 79 -12.704 -20.408 7.398 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.483 -21.790 8.043 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.190 -20.211 7.608 1.00 0.00 C ATOM 0 H VAL A 79 -12.418 -17.881 6.744 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.461 -19.356 9.265 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.359 -20.329 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.977 -22.555 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.415 -22.001 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.901 -21.793 9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.741 -20.933 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.431 -20.357 8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.469 -19.201 7.308 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.118 -20.305 9.512 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.695 -20.668 9.743 1.00 0.00 C ATOM 1002 C PRO A 80 -8.447 -21.938 8.917 1.00 0.00 C ATOM 1003 O PRO A 80 -9.365 -22.704 8.681 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.608 -20.852 11.266 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.975 -20.257 11.760 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.951 -20.714 10.677 1.00 0.00 C ATOM 0 HA PRO A 80 -7.937 -19.947 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.499 -21.901 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.757 -20.320 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.252 -20.640 12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.938 -19.171 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.157 -21.784 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.913 -20.203 10.720 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.229 -22.146 8.508 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.981 -23.336 7.630 1.00 0.00 C ATOM 1016 C ARG A 81 -5.540 -23.804 7.685 1.00 0.00 C ATOM 1017 O ARG A 81 -4.653 -23.037 8.021 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.391 -22.983 6.169 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.967 -21.564 5.918 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.902 -21.269 4.424 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.755 -22.075 3.880 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.550 -21.862 4.237 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -3.962 -20.782 3.912 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.988 -22.774 4.911 1.00 0.00 N ATOM 0 H ARG A 81 -6.416 -21.571 8.729 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.588 -24.163 7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.911 -23.659 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.467 -23.092 6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.669 -20.881 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.991 -21.387 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.836 -21.543 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.748 -20.205 4.245 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.947 -22.815 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.455 -20.079 3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.998 -20.619 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.499 -23.626 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.024 -22.657 5.223 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.319 -25.039 7.341 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.942 -25.553 7.423 1.00 0.00 C ATOM 1040 C VAL A 82 -3.207 -25.116 6.190 1.00 0.00 C ATOM 1041 O VAL A 82 -3.692 -25.278 5.081 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.871 -27.055 7.445 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.467 -27.347 7.949 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.836 -27.638 8.394 1.00 0.00 C ATOM 0 H VAL A 82 -6.023 -25.700 7.013 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.514 -25.168 8.349 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.097 -27.474 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.316 -28.425 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.737 -26.911 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.339 -26.915 8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.751 -28.725 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.624 -27.272 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.847 -27.349 8.108 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.054 -24.588 6.471 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.121 -24.063 5.445 1.00 0.00 C ATOM 1056 C GLY A 83 -0.776 -22.561 5.656 1.00 0.00 C ATOM 1057 O GLY A 83 0.318 -22.359 6.122 1.00 0.00 O ATOM 1058 OXT GLY A 83 -1.567 -21.672 5.366 1.00 0.00 O ATOM 0 H GLY A 83 -1.704 -24.495 7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.202 -24.648 5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.563 -24.194 4.457 1.00 0.00 H new TER 1062 GLY A 83