USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 180:sc= -0.261 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.0426 F(o=-1.1,f=-0.3) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.791 F(o=-1.6,f=-0.79) USER MOD Set 2.3: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0133 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.854 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc=-0.00705 (180deg=-0.183) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.000335 USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= -1.49 (180deg=-1.5) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -6.87! C(o=-8.1!,f=-6.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 74:sc= -0.911 USER MOD Single : A 48 HIS : no HE2:sc= -17.1! C(o=-17!,f=-18!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.16! C(o=-2.2!,f=-2.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 28:sc= 0.366 USER MOD Single : A 65 SER OG : rot 49:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.041 -17.135 -10.788 1.00 0.00 N ATOM 2 CA GLY A 1 3.094 -17.368 -11.758 1.00 0.00 C ATOM 3 C GLY A 1 3.925 -16.128 -12.023 1.00 0.00 C ATOM 4 O GLY A 1 4.191 -15.345 -11.111 1.00 0.00 O ATOM 0 H1 GLY A 1 1.985 -17.943 -10.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.250 -16.270 -10.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.132 -17.025 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.743 -18.167 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.652 -17.712 -12.693 1.00 0.00 H new ATOM 8 N SER A 2 4.336 -15.948 -13.274 1.00 0.00 N ATOM 9 CA SER A 2 5.146 -14.797 -13.654 1.00 0.00 C ATOM 10 C SER A 2 4.339 -13.507 -13.551 1.00 0.00 C ATOM 11 O SER A 2 3.706 -13.078 -14.516 1.00 0.00 O ATOM 12 CB SER A 2 5.675 -14.968 -15.080 1.00 0.00 C ATOM 13 OG SER A 2 4.611 -15.092 -16.007 1.00 0.00 O ATOM 0 H SER A 2 4.121 -16.585 -14.042 1.00 0.00 H new ATOM 0 HA SER A 2 5.989 -14.734 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.295 -14.112 -15.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.311 -15.851 -15.132 1.00 0.00 H new ATOM 0 HG SER A 2 3.893 -14.471 -15.766 1.00 0.00 H new ATOM 19 N SER A 3 4.366 -12.893 -12.372 1.00 0.00 N ATOM 20 CA SER A 3 3.633 -11.653 -12.139 1.00 0.00 C ATOM 21 C SER A 3 4.105 -10.557 -13.090 1.00 0.00 C ATOM 22 O SER A 3 5.162 -9.960 -12.892 1.00 0.00 O ATOM 23 CB SER A 3 3.809 -11.197 -10.690 1.00 0.00 C ATOM 24 OG SER A 3 3.302 -12.163 -9.786 1.00 0.00 O ATOM 0 H SER A 3 4.887 -13.233 -11.564 1.00 0.00 H new ATOM 0 HA SER A 3 2.576 -11.843 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.866 -11.023 -10.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.295 -10.248 -10.539 1.00 0.00 H new ATOM 0 HG SER A 3 3.428 -11.848 -8.866 1.00 0.00 H new ATOM 30 N GLY A 4 3.310 -10.298 -14.124 1.00 0.00 N ATOM 31 CA GLY A 4 3.662 -9.274 -15.092 1.00 0.00 C ATOM 32 C GLY A 4 3.789 -7.901 -14.463 1.00 0.00 C ATOM 33 O GLY A 4 4.263 -7.769 -13.334 1.00 0.00 O ATOM 0 H GLY A 4 2.429 -10.778 -14.309 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.605 -9.540 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.904 -9.243 -15.875 1.00 0.00 H new ATOM 37 N SER A 5 3.364 -6.875 -15.194 1.00 0.00 N ATOM 38 CA SER A 5 3.438 -5.504 -14.703 1.00 0.00 C ATOM 39 C SER A 5 2.527 -4.588 -15.514 1.00 0.00 C ATOM 40 O SER A 5 2.709 -4.422 -16.720 1.00 0.00 O ATOM 41 CB SER A 5 4.879 -4.995 -14.764 1.00 0.00 C ATOM 42 OG SER A 5 5.021 -3.781 -14.046 1.00 0.00 O ATOM 0 H SER A 5 2.965 -6.967 -16.128 1.00 0.00 H new ATOM 0 HA SER A 5 3.102 -5.496 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.551 -5.747 -14.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.171 -4.843 -15.803 1.00 0.00 H new ATOM 0 HG SER A 5 5.951 -3.477 -14.098 1.00 0.00 H new ATOM 48 N SER A 6 1.546 -3.994 -14.843 1.00 0.00 N ATOM 49 CA SER A 6 0.603 -3.096 -15.500 1.00 0.00 C ATOM 50 C SER A 6 1.030 -1.641 -15.330 1.00 0.00 C ATOM 51 O SER A 6 1.803 -1.310 -14.432 1.00 0.00 O ATOM 52 CB SER A 6 -0.804 -3.296 -14.935 1.00 0.00 C ATOM 53 OG SER A 6 -0.922 -2.722 -13.645 1.00 0.00 O ATOM 0 H SER A 6 1.383 -4.118 -13.844 1.00 0.00 H new ATOM 0 HA SER A 6 0.596 -3.333 -16.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.536 -2.845 -15.605 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.031 -4.361 -14.885 1.00 0.00 H new ATOM 0 HG SER A 6 -1.831 -2.862 -13.307 1.00 0.00 H new ATOM 59 N GLY A 7 0.519 -0.775 -16.201 1.00 0.00 N ATOM 60 CA GLY A 7 0.857 0.634 -16.131 1.00 0.00 C ATOM 61 C GLY A 7 -0.175 1.441 -15.370 1.00 0.00 C ATOM 62 O GLY A 7 -0.721 2.414 -15.890 1.00 0.00 O ATOM 0 H GLY A 7 -0.123 -1.025 -16.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.829 0.748 -15.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.952 1.032 -17.141 1.00 0.00 H new ATOM 66 N LYS A 8 -0.446 1.036 -14.133 1.00 0.00 N ATOM 67 CA LYS A 8 -1.421 1.728 -13.298 1.00 0.00 C ATOM 68 C LYS A 8 -0.912 3.109 -12.897 1.00 0.00 C ATOM 69 O LYS A 8 0.232 3.260 -12.468 1.00 0.00 O ATOM 70 CB LYS A 8 -1.727 0.903 -12.046 1.00 0.00 C ATOM 71 CG LYS A 8 -2.895 1.437 -11.235 1.00 0.00 C ATOM 72 CD LYS A 8 -2.937 0.824 -9.846 1.00 0.00 C ATOM 73 CE LYS A 8 -4.335 0.885 -9.251 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.263 -0.071 -9.917 1.00 0.00 N ATOM 0 H LYS A 8 -0.004 0.232 -13.687 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.336 1.852 -13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.940 -0.124 -12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.839 0.875 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.816 2.521 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.828 1.224 -11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.606 -0.214 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.240 1.350 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.286 0.661 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.727 1.898 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.102 -0.214 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.556 0.314 -10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.780 -0.981 -10.060 1.00 0.00 H new ATOM 88 N LYS A 9 -1.769 4.114 -13.040 1.00 0.00 N ATOM 89 CA LYS A 9 -1.408 5.483 -12.690 1.00 0.00 C ATOM 90 C LYS A 9 -0.683 5.529 -11.349 1.00 0.00 C ATOM 91 O LYS A 9 -1.283 5.301 -10.298 1.00 0.00 O ATOM 92 CB LYS A 9 -2.658 6.364 -12.636 1.00 0.00 C ATOM 93 CG LYS A 9 -2.354 7.841 -12.450 1.00 0.00 C ATOM 94 CD LYS A 9 -3.580 8.700 -12.711 1.00 0.00 C ATOM 95 CE LYS A 9 -3.683 9.095 -14.176 1.00 0.00 C ATOM 96 NZ LYS A 9 -5.088 9.384 -14.575 1.00 0.00 N ATOM 0 H LYS A 9 -2.719 4.006 -13.396 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.736 5.863 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.226 6.232 -13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.295 6.027 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.996 8.015 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.551 8.136 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.477 8.155 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.535 9.597 -12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.065 9.974 -14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.287 8.292 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.116 9.649 -15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.673 8.537 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.458 10.167 -14.000 1.00 0.00 H new ATOM 110 N THR A 10 0.612 5.827 -11.392 1.00 0.00 N ATOM 111 CA THR A 10 1.419 5.904 -10.181 1.00 0.00 C ATOM 112 C THR A 10 1.617 4.524 -9.564 1.00 0.00 C ATOM 113 O THR A 10 1.573 4.368 -8.344 1.00 0.00 O ATOM 114 CB THR A 10 0.776 6.834 -9.135 1.00 0.00 C ATOM 115 OG1 THR A 10 0.352 8.052 -9.757 1.00 0.00 O ATOM 116 CG2 THR A 10 1.755 7.146 -8.013 1.00 0.00 C ATOM 0 H THR A 10 1.124 6.019 -12.253 1.00 0.00 H new ATOM 0 HA THR A 10 2.387 6.312 -10.472 1.00 0.00 H new ATOM 0 HB THR A 10 -0.088 6.323 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.057 8.637 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.278 7.804 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.053 6.220 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.636 7.638 -8.425 1.00 0.00 H new ATOM 124 N GLU A 11 1.836 3.526 -10.415 1.00 0.00 N ATOM 125 CA GLU A 11 2.041 2.159 -9.951 1.00 0.00 C ATOM 126 C GLU A 11 2.950 2.130 -8.726 1.00 0.00 C ATOM 127 O GLU A 11 3.797 3.006 -8.548 1.00 0.00 O ATOM 128 CB GLU A 11 2.643 1.303 -11.068 1.00 0.00 C ATOM 129 CG GLU A 11 4.034 1.746 -11.491 1.00 0.00 C ATOM 130 CD GLU A 11 4.025 3.069 -12.231 1.00 0.00 C ATOM 131 OE1 GLU A 11 3.045 3.335 -12.958 1.00 0.00 O ATOM 132 OE2 GLU A 11 4.997 3.839 -12.083 1.00 0.00 O ATOM 0 H GLU A 11 1.876 3.639 -11.428 1.00 0.00 H new ATOM 0 HA GLU A 11 1.071 1.748 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.686 0.266 -10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.982 1.333 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.668 1.832 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.477 0.981 -12.128 1.00 0.00 H new ATOM 139 N TRP A 12 2.768 1.118 -7.886 1.00 0.00 N ATOM 140 CA TRP A 12 3.572 0.975 -6.677 1.00 0.00 C ATOM 141 C TRP A 12 4.783 0.085 -6.931 1.00 0.00 C ATOM 142 O TRP A 12 4.747 -0.799 -7.787 1.00 0.00 O ATOM 143 CB TRP A 12 2.725 0.394 -5.543 1.00 0.00 C ATOM 144 CG TRP A 12 1.681 1.342 -5.036 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.598 1.813 -5.724 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.621 1.936 -3.735 1.00 0.00 C ATOM 147 NE1 TRP A 12 -0.130 2.664 -4.928 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.475 2.755 -3.703 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.422 1.853 -2.593 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.115 3.486 -2.574 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.063 2.580 -1.473 1.00 0.00 C ATOM 152 CH2 TRP A 12 0.917 3.386 -1.470 1.00 0.00 C ATOM 0 H TRP A 12 2.072 0.385 -8.019 1.00 0.00 H new ATOM 0 HA TRP A 12 3.926 1.964 -6.387 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.239 -0.517 -5.892 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.379 0.111 -4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.351 1.554 -6.743 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.983 3.150 -5.205 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.306 1.232 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.766 4.110 -2.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.676 2.526 -0.586 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.662 3.939 -0.578 1.00 0.00 H new ATOM 163 N SER A 13 5.855 0.323 -6.181 1.00 0.00 N ATOM 164 CA SER A 13 7.079 -0.456 -6.328 1.00 0.00 C ATOM 165 C SER A 13 7.398 -1.214 -5.043 1.00 0.00 C ATOM 166 O SER A 13 6.935 -0.848 -3.962 1.00 0.00 O ATOM 167 CB SER A 13 8.249 0.458 -6.698 1.00 0.00 C ATOM 168 OG SER A 13 9.418 -0.295 -6.972 1.00 0.00 O ATOM 0 H SER A 13 5.900 1.049 -5.466 1.00 0.00 H new ATOM 0 HA SER A 13 6.926 -1.180 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.985 1.056 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.444 1.153 -5.881 1.00 0.00 H new ATOM 0 HG SER A 13 10.150 0.312 -7.207 1.00 0.00 H new ATOM 174 N ARG A 14 8.191 -2.273 -5.170 1.00 0.00 N ATOM 175 CA ARG A 14 8.572 -3.084 -4.020 1.00 0.00 C ATOM 176 C ARG A 14 8.894 -2.204 -2.816 1.00 0.00 C ATOM 177 O ARG A 14 8.573 -2.550 -1.679 1.00 0.00 O ATOM 178 CB ARG A 14 9.779 -3.959 -4.363 1.00 0.00 C ATOM 179 CG ARG A 14 10.375 -4.673 -3.161 1.00 0.00 C ATOM 180 CD ARG A 14 9.591 -5.929 -2.814 1.00 0.00 C ATOM 181 NE ARG A 14 10.177 -6.646 -1.685 1.00 0.00 N ATOM 182 CZ ARG A 14 11.208 -7.476 -1.796 1.00 0.00 C ATOM 183 NH1 ARG A 14 11.765 -7.692 -2.980 1.00 0.00 N ATOM 184 NH2 ARG A 14 11.685 -8.091 -0.722 1.00 0.00 N ATOM 0 H ARG A 14 8.582 -2.589 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 14 7.728 -3.725 -3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.481 -4.700 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.547 -3.339 -4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.412 -4.936 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.384 -4.000 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.562 -5.660 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.557 -6.587 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 14 9.772 -6.501 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.402 -7.220 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.557 -8.330 -3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.260 -7.927 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.477 -8.728 -0.809 1.00 0.00 H new ATOM 198 N GLU A 15 9.529 -1.066 -3.074 1.00 0.00 N ATOM 199 CA GLU A 15 9.895 -0.137 -2.011 1.00 0.00 C ATOM 200 C GLU A 15 8.652 0.452 -1.351 1.00 0.00 C ATOM 201 O GLU A 15 8.420 0.259 -0.158 1.00 0.00 O ATOM 202 CB GLU A 15 10.773 0.987 -2.565 1.00 0.00 C ATOM 203 CG GLU A 15 12.221 0.580 -2.780 1.00 0.00 C ATOM 204 CD GLU A 15 12.990 1.580 -3.622 1.00 0.00 C ATOM 205 OE1 GLU A 15 13.443 2.601 -3.064 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.138 1.340 -4.838 1.00 0.00 O ATOM 0 H GLU A 15 9.801 -0.765 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 15 10.457 -0.690 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.356 1.329 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.741 1.833 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.712 0.472 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.252 -0.396 -3.264 1.00 0.00 H new ATOM 213 N GLU A 16 7.856 1.171 -2.137 1.00 0.00 N ATOM 214 CA GLU A 16 6.637 1.789 -1.628 1.00 0.00 C ATOM 215 C GLU A 16 5.802 0.781 -0.844 1.00 0.00 C ATOM 216 O GLU A 16 5.208 1.115 0.180 1.00 0.00 O ATOM 217 CB GLU A 16 5.812 2.365 -2.780 1.00 0.00 C ATOM 218 CG GLU A 16 6.370 3.662 -3.341 1.00 0.00 C ATOM 219 CD GLU A 16 7.354 3.432 -4.472 1.00 0.00 C ATOM 220 OE1 GLU A 16 8.454 2.905 -4.203 1.00 0.00 O ATOM 221 OE2 GLU A 16 7.025 3.780 -5.625 1.00 0.00 O ATOM 0 H GLU A 16 8.033 1.340 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 16 6.924 2.598 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.757 1.627 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.793 2.537 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.548 4.282 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.863 4.217 -2.543 1.00 0.00 H new ATOM 228 N GLU A 17 5.763 -0.455 -1.333 1.00 0.00 N ATOM 229 CA GLU A 17 5.000 -1.511 -0.679 1.00 0.00 C ATOM 230 C GLU A 17 5.634 -1.893 0.656 1.00 0.00 C ATOM 231 O GLU A 17 5.041 -1.694 1.715 1.00 0.00 O ATOM 232 CB GLU A 17 4.910 -2.741 -1.584 1.00 0.00 C ATOM 233 CG GLU A 17 4.030 -2.535 -2.806 1.00 0.00 C ATOM 234 CD GLU A 17 4.267 -3.580 -3.879 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.443 -3.921 -4.124 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.277 -4.057 -4.472 1.00 0.00 O ATOM 0 H GLU A 17 6.251 -0.749 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 17 3.995 -1.134 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.913 -3.015 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.523 -3.580 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.983 -2.561 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.217 -1.545 -3.221 1.00 0.00 H new ATOM 243 N GLU A 18 6.842 -2.444 0.594 1.00 0.00 N ATOM 244 CA GLU A 18 7.556 -2.856 1.797 1.00 0.00 C ATOM 245 C GLU A 18 7.299 -1.880 2.942 1.00 0.00 C ATOM 246 O GLU A 18 6.841 -2.272 4.016 1.00 0.00 O ATOM 247 CB GLU A 18 9.057 -2.949 1.520 1.00 0.00 C ATOM 248 CG GLU A 18 9.461 -4.208 0.770 1.00 0.00 C ATOM 249 CD GLU A 18 9.661 -5.396 1.690 1.00 0.00 C ATOM 250 OE1 GLU A 18 8.753 -5.678 2.500 1.00 0.00 O ATOM 251 OE2 GLU A 18 10.725 -6.044 1.601 1.00 0.00 O ATOM 0 H GLU A 18 7.347 -2.615 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 18 7.187 -3.839 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.366 -2.078 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.596 -2.912 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.695 -4.449 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.383 -4.019 0.221 1.00 0.00 H new ATOM 258 N LYS A 19 7.596 -0.607 2.706 1.00 0.00 N ATOM 259 CA LYS A 19 7.398 0.426 3.715 1.00 0.00 C ATOM 260 C LYS A 19 5.924 0.543 4.091 1.00 0.00 C ATOM 261 O LYS A 19 5.586 0.777 5.252 1.00 0.00 O ATOM 262 CB LYS A 19 7.913 1.773 3.203 1.00 0.00 C ATOM 263 CG LYS A 19 6.843 2.622 2.540 1.00 0.00 C ATOM 264 CD LYS A 19 7.452 3.725 1.691 1.00 0.00 C ATOM 265 CE LYS A 19 8.506 4.504 2.463 1.00 0.00 C ATOM 266 NZ LYS A 19 7.930 5.184 3.656 1.00 0.00 N ATOM 0 H LYS A 19 7.975 -0.266 1.823 1.00 0.00 H new ATOM 0 HA LYS A 19 7.961 0.143 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.341 2.329 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.719 1.597 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.210 1.990 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.201 3.062 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.900 3.292 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.667 4.404 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.299 3.827 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.962 5.246 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.676 5.718 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.179 5.837 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.532 4.473 4.302 1.00 0.00 H new ATOM 280 N LEU A 20 5.051 0.378 3.103 1.00 0.00 N ATOM 281 CA LEU A 20 3.613 0.464 3.331 1.00 0.00 C ATOM 282 C LEU A 20 3.166 -0.551 4.378 1.00 0.00 C ATOM 283 O LEU A 20 2.515 -0.199 5.362 1.00 0.00 O ATOM 284 CB LEU A 20 2.855 0.233 2.023 1.00 0.00 C ATOM 285 CG LEU A 20 1.341 0.443 2.078 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.016 1.883 2.442 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.702 0.069 0.748 1.00 0.00 C ATOM 0 H LEU A 20 5.314 0.184 2.137 1.00 0.00 H new ATOM 0 HA LEU A 20 3.388 1.464 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.267 0.900 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.048 -0.787 1.690 1.00 0.00 H new ATOM 0 HG LEU A 20 0.930 -0.207 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.066 2.014 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.441 2.116 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.439 2.552 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.375 0.225 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.117 0.693 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.906 -0.979 0.528 1.00 0.00 H new ATOM 299 N LEU A 21 3.521 -1.813 4.160 1.00 0.00 N ATOM 300 CA LEU A 21 3.159 -2.880 5.086 1.00 0.00 C ATOM 301 C LEU A 21 3.618 -2.551 6.503 1.00 0.00 C ATOM 302 O LEU A 21 2.923 -2.846 7.477 1.00 0.00 O ATOM 303 CB LEU A 21 3.774 -4.205 4.634 1.00 0.00 C ATOM 304 CG LEU A 21 3.174 -4.828 3.372 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.059 -5.797 3.734 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.658 -3.744 2.437 1.00 0.00 C ATOM 0 H LEU A 21 4.059 -2.122 3.350 1.00 0.00 H new ATOM 0 HA LEU A 21 2.073 -2.972 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.840 -4.050 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.681 -4.923 5.449 1.00 0.00 H new ATOM 0 HG LEU A 21 3.957 -5.383 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.644 -6.230 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.458 -6.591 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.275 -5.265 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.235 -4.205 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.889 -3.162 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.480 -3.088 2.151 1.00 0.00 H new ATOM 318 N HIS A 22 4.792 -1.937 6.612 1.00 0.00 N ATOM 319 CA HIS A 22 5.343 -1.565 7.910 1.00 0.00 C ATOM 320 C HIS A 22 4.568 -0.398 8.515 1.00 0.00 C ATOM 321 O HIS A 22 3.986 -0.517 9.594 1.00 0.00 O ATOM 322 CB HIS A 22 6.820 -1.196 7.774 1.00 0.00 C ATOM 323 CG HIS A 22 7.497 -0.938 9.085 1.00 0.00 C ATOM 324 ND1 HIS A 22 7.835 0.223 9.693 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 7.908 -1.946 9.931 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 8.437 -0.101 10.884 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 8.468 -1.416 11.004 1.00 0.00 N flip ATOM 0 H HIS A 22 5.380 -1.687 5.817 1.00 0.00 H new ATOM 0 HA HIS A 22 5.251 -2.423 8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.341 -2.002 7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.908 -0.308 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.791 -3.003 9.746 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.822 0.605 11.605 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.858 -1.934 11.791 1.00 0.00 H new ATOM 336 N LEU A 23 4.566 0.731 7.814 1.00 0.00 N ATOM 337 CA LEU A 23 3.864 1.921 8.281 1.00 0.00 C ATOM 338 C LEU A 23 2.438 1.581 8.703 1.00 0.00 C ATOM 339 O LEU A 23 2.013 1.907 9.811 1.00 0.00 O ATOM 340 CB LEU A 23 3.843 2.988 7.186 1.00 0.00 C ATOM 341 CG LEU A 23 5.087 3.872 7.086 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.343 4.272 5.642 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.936 5.106 7.964 1.00 0.00 C ATOM 0 H LEU A 23 5.043 0.847 6.920 1.00 0.00 H new ATOM 0 HA LEU A 23 4.397 2.310 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.696 2.492 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.978 3.630 7.349 1.00 0.00 H new ATOM 0 HG LEU A 23 5.945 3.300 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.232 4.901 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.496 3.377 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.485 4.825 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.830 5.724 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.068 5.679 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.802 4.800 9.002 1.00 0.00 H new ATOM 355 N ALA A 24 1.704 0.921 7.813 1.00 0.00 N ATOM 356 CA ALA A 24 0.328 0.533 8.094 1.00 0.00 C ATOM 357 C ALA A 24 0.198 -0.053 9.496 1.00 0.00 C ATOM 358 O ALA A 24 -0.721 0.288 10.241 1.00 0.00 O ATOM 359 CB ALA A 24 -0.162 -0.465 7.056 1.00 0.00 C ATOM 0 H ALA A 24 2.040 0.644 6.891 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.293 1.428 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.191 -0.746 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.116 -0.012 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.469 -1.353 7.079 1.00 0.00 H new ATOM 365 N LYS A 25 1.125 -0.937 9.851 1.00 0.00 N ATOM 366 CA LYS A 25 1.115 -1.571 11.164 1.00 0.00 C ATOM 367 C LYS A 25 1.444 -0.560 12.258 1.00 0.00 C ATOM 368 O LYS A 25 0.813 -0.548 13.316 1.00 0.00 O ATOM 369 CB LYS A 25 2.120 -2.725 11.203 1.00 0.00 C ATOM 370 CG LYS A 25 2.276 -3.349 12.579 1.00 0.00 C ATOM 371 CD LYS A 25 3.672 -3.914 12.780 1.00 0.00 C ATOM 372 CE LYS A 25 4.633 -2.854 13.294 1.00 0.00 C ATOM 373 NZ LYS A 25 4.514 -2.665 14.767 1.00 0.00 N ATOM 0 H LYS A 25 1.893 -1.230 9.247 1.00 0.00 H new ATOM 0 HA LYS A 25 0.114 -1.962 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.805 -3.494 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.091 -2.362 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.072 -2.600 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.540 -4.143 12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.632 -4.743 13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.042 -4.316 11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.655 -3.140 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.435 -1.908 12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.185 -1.934 15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.545 -2.368 15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.728 -3.561 15.250 1.00 0.00 H new ATOM 387 N LEU A 26 2.433 0.287 11.997 1.00 0.00 N ATOM 388 CA LEU A 26 2.844 1.304 12.959 1.00 0.00 C ATOM 389 C LEU A 26 1.679 2.223 13.312 1.00 0.00 C ATOM 390 O LEU A 26 1.333 2.382 14.482 1.00 0.00 O ATOM 391 CB LEU A 26 4.005 2.126 12.398 1.00 0.00 C ATOM 392 CG LEU A 26 5.333 1.385 12.234 1.00 0.00 C ATOM 393 CD1 LEU A 26 6.118 1.951 11.060 1.00 0.00 C ATOM 394 CD2 LEU A 26 6.152 1.467 13.514 1.00 0.00 C ATOM 0 H LEU A 26 2.966 0.290 11.127 1.00 0.00 H new ATOM 0 HA LEU A 26 3.171 0.798 13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.709 2.520 11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.168 2.982 13.053 1.00 0.00 H new ATOM 0 HG LEU A 26 5.119 0.336 12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.060 1.412 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.536 1.840 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.322 3.008 11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.093 0.934 13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.357 2.512 13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.593 1.014 14.333 1.00 0.00 H new ATOM 406 N MET A 27 1.077 2.824 12.290 1.00 0.00 N ATOM 407 CA MET A 27 -0.052 3.725 12.492 1.00 0.00 C ATOM 408 C MET A 27 -1.165 3.435 11.490 1.00 0.00 C ATOM 409 O MET A 27 -1.255 4.056 10.430 1.00 0.00 O ATOM 410 CB MET A 27 0.400 5.181 12.363 1.00 0.00 C ATOM 411 CG MET A 27 1.733 5.465 13.037 1.00 0.00 C ATOM 412 SD MET A 27 2.286 7.164 12.794 1.00 0.00 S ATOM 413 CE MET A 27 3.140 7.020 11.226 1.00 0.00 C ATOM 0 H MET A 27 1.352 2.703 11.315 1.00 0.00 H new ATOM 0 HA MET A 27 -0.440 3.561 13.497 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.474 5.438 11.306 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.362 5.829 12.796 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.646 5.265 14.105 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.487 4.782 12.645 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.540 7.992 10.939 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.957 6.305 11.321 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.443 6.675 10.462 1.00 0.00 H new ATOM 423 N PRO A 28 -2.033 2.471 11.830 1.00 0.00 N ATOM 424 CA PRO A 28 -3.155 2.078 10.973 1.00 0.00 C ATOM 425 C PRO A 28 -4.232 3.155 10.897 1.00 0.00 C ATOM 426 O PRO A 28 -5.081 3.137 10.006 1.00 0.00 O ATOM 427 CB PRO A 28 -3.702 0.823 11.658 1.00 0.00 C ATOM 428 CG PRO A 28 -3.304 0.967 13.086 1.00 0.00 C ATOM 429 CD PRO A 28 -1.986 1.690 13.078 1.00 0.00 C ATOM 0 HA PRO A 28 -2.842 1.916 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.785 0.755 11.554 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.282 -0.082 11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.053 1.528 13.645 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.212 -0.008 13.565 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.875 2.333 13.951 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.146 0.995 13.086 1.00 0.00 H new ATOM 437 N THR A 29 -4.190 4.094 11.837 1.00 0.00 N ATOM 438 CA THR A 29 -5.162 5.179 11.877 1.00 0.00 C ATOM 439 C THR A 29 -4.492 6.527 11.639 1.00 0.00 C ATOM 440 O THR A 29 -4.952 7.555 12.135 1.00 0.00 O ATOM 441 CB THR A 29 -5.905 5.219 13.225 1.00 0.00 C ATOM 442 OG1 THR A 29 -4.969 5.381 14.296 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.711 3.946 13.437 1.00 0.00 C ATOM 0 H THR A 29 -3.493 4.125 12.581 1.00 0.00 H new ATOM 0 HA THR A 29 -5.881 4.988 11.080 1.00 0.00 H new ATOM 0 HB THR A 29 -6.591 6.066 13.211 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.450 5.407 15.150 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.227 3.997 14.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.443 3.841 12.636 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.041 3.086 13.431 1.00 0.00 H new ATOM 451 N GLN A 30 -3.402 6.515 10.878 1.00 0.00 N ATOM 452 CA GLN A 30 -2.668 7.738 10.576 1.00 0.00 C ATOM 453 C GLN A 30 -2.311 7.807 9.095 1.00 0.00 C ATOM 454 O GLN A 30 -1.228 8.263 8.729 1.00 0.00 O ATOM 455 CB GLN A 30 -1.398 7.819 11.424 1.00 0.00 C ATOM 456 CG GLN A 30 -1.667 7.884 12.919 1.00 0.00 C ATOM 457 CD GLN A 30 -2.626 8.997 13.291 1.00 0.00 C ATOM 458 OE1 GLN A 30 -3.646 8.663 14.073 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 -2.452 10.145 12.881 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.008 5.672 10.460 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.310 8.586 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.774 6.950 11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.829 8.700 11.127 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.076 6.930 13.253 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.725 8.029 13.448 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.654 10.357 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.106 10.884 13.141 1.00 0.00 H new ATOM 468 N TRP A 31 -3.227 7.350 8.249 1.00 0.00 N ATOM 469 CA TRP A 31 -3.007 7.359 6.807 1.00 0.00 C ATOM 470 C TRP A 31 -2.596 8.746 6.328 1.00 0.00 C ATOM 471 O TRP A 31 -1.756 8.882 5.438 1.00 0.00 O ATOM 472 CB TRP A 31 -4.272 6.907 6.075 1.00 0.00 C ATOM 473 CG TRP A 31 -4.771 5.566 6.523 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.861 5.318 7.307 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.196 4.291 6.216 1.00 0.00 C ATOM 476 NE1 TRP A 31 -5.999 3.965 7.505 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.991 3.314 6.846 1.00 0.00 C ATOM 478 CE3 TRP A 31 -3.089 3.880 5.469 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.711 1.953 6.751 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.813 2.530 5.375 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.621 1.579 6.013 1.00 0.00 C ATOM 0 H TRP A 31 -4.129 6.969 8.536 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.198 6.664 6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.056 7.648 6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.071 6.873 5.004 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.518 6.074 7.712 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.733 3.518 8.054 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.460 4.605 4.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.332 1.219 7.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.960 2.202 4.800 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.379 0.531 5.920 1.00 0.00 H new ATOM 492 N ARG A 32 -3.192 9.774 6.922 1.00 0.00 N ATOM 493 CA ARG A 32 -2.887 11.152 6.555 1.00 0.00 C ATOM 494 C ARG A 32 -1.413 11.464 6.792 1.00 0.00 C ATOM 495 O ARG A 32 -0.866 12.407 6.218 1.00 0.00 O ATOM 496 CB ARG A 32 -3.760 12.120 7.354 1.00 0.00 C ATOM 497 CG ARG A 32 -5.158 12.295 6.782 1.00 0.00 C ATOM 498 CD ARG A 32 -5.815 13.567 7.296 1.00 0.00 C ATOM 499 NE ARG A 32 -5.291 14.759 6.636 1.00 0.00 N ATOM 500 CZ ARG A 32 -5.324 15.972 7.175 1.00 0.00 C ATOM 501 NH1 ARG A 32 -5.852 16.153 8.378 1.00 0.00 N ATOM 502 NH2 ARG A 32 -4.827 17.009 6.512 1.00 0.00 N ATOM 0 H ARG A 32 -3.890 9.679 7.660 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.100 11.275 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.839 11.762 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.268 13.092 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.106 12.325 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.772 11.434 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.892 13.508 7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.655 13.648 8.371 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.877 14.654 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.234 15.359 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.876 17.086 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.419 16.875 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.853 17.940 6.928 1.00 0.00 H new ATOM 516 N THR A 33 -0.773 10.667 7.642 1.00 0.00 N ATOM 517 CA THR A 33 0.637 10.860 7.957 1.00 0.00 C ATOM 518 C THR A 33 1.516 9.930 7.129 1.00 0.00 C ATOM 519 O THR A 33 2.592 10.321 6.674 1.00 0.00 O ATOM 520 CB THR A 33 0.917 10.616 9.452 1.00 0.00 C ATOM 521 OG1 THR A 33 0.136 11.514 10.249 1.00 0.00 O ATOM 522 CG2 THR A 33 2.393 10.806 9.764 1.00 0.00 C ATOM 0 H THR A 33 -1.209 9.881 8.125 1.00 0.00 H new ATOM 0 HA THR A 33 0.877 11.895 7.714 1.00 0.00 H new ATOM 0 HB THR A 33 0.642 9.588 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.318 11.352 11.198 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.566 10.628 10.825 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.983 10.102 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.690 11.824 9.513 1.00 0.00 H new ATOM 530 N ILE A 34 1.053 8.700 6.937 1.00 0.00 N ATOM 531 CA ILE A 34 1.798 7.716 6.162 1.00 0.00 C ATOM 532 C ILE A 34 1.772 8.053 4.675 1.00 0.00 C ATOM 533 O ILE A 34 2.631 7.610 3.913 1.00 0.00 O ATOM 534 CB ILE A 34 1.236 6.296 6.365 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.264 5.920 7.847 1.00 0.00 C ATOM 536 CG2 ILE A 34 2.028 5.291 5.542 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.511 4.646 8.162 1.00 0.00 C ATOM 0 H ILE A 34 0.165 8.361 7.308 1.00 0.00 H new ATOM 0 HA ILE A 34 2.827 7.745 6.521 1.00 0.00 H new ATOM 0 HB ILE A 34 0.200 6.279 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.300 5.808 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.838 6.737 8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.619 4.292 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.961 5.552 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.072 5.308 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.573 4.441 9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.534 4.761 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.951 3.817 7.607 1.00 0.00 H new ATOM 549 N ALA A 35 0.782 8.842 4.270 1.00 0.00 N ATOM 550 CA ALA A 35 0.647 9.243 2.876 1.00 0.00 C ATOM 551 C ALA A 35 1.853 10.056 2.418 1.00 0.00 C ATOM 552 O ALA A 35 2.552 9.695 1.471 1.00 0.00 O ATOM 553 CB ALA A 35 -0.635 10.039 2.678 1.00 0.00 C ATOM 0 H ALA A 35 0.062 9.216 4.888 1.00 0.00 H new ATOM 0 HA ALA A 35 0.599 8.340 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.723 10.332 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.491 9.425 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.610 10.931 3.304 1.00 0.00 H new ATOM 559 N PRO A 36 2.105 11.180 3.104 1.00 0.00 N ATOM 560 CA PRO A 36 3.227 12.068 2.786 1.00 0.00 C ATOM 561 C PRO A 36 4.575 11.442 3.126 1.00 0.00 C ATOM 562 O PRO A 36 5.618 11.900 2.657 1.00 0.00 O ATOM 563 CB PRO A 36 2.970 13.295 3.665 1.00 0.00 C ATOM 564 CG PRO A 36 2.161 12.781 4.805 1.00 0.00 C ATOM 565 CD PRO A 36 1.313 11.672 4.245 1.00 0.00 C ATOM 0 HA PRO A 36 3.279 12.294 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.904 13.737 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.434 14.070 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.804 12.415 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.541 13.570 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.139 10.888 4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.335 12.034 3.929 1.00 0.00 H new ATOM 573 N ILE A 37 4.547 10.395 3.943 1.00 0.00 N ATOM 574 CA ILE A 37 5.768 9.706 4.343 1.00 0.00 C ATOM 575 C ILE A 37 6.164 8.649 3.318 1.00 0.00 C ATOM 576 O ILE A 37 7.330 8.262 3.230 1.00 0.00 O ATOM 577 CB ILE A 37 5.610 9.035 5.720 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.477 10.095 6.816 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.791 8.119 6.002 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.930 9.553 8.118 1.00 0.00 C ATOM 0 H ILE A 37 3.693 10.005 4.341 1.00 0.00 H new ATOM 0 HA ILE A 37 6.551 10.462 4.403 1.00 0.00 H new ATOM 0 HB ILE A 37 4.702 8.432 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.455 10.541 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.824 10.893 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.664 7.652 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.844 7.346 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.713 8.701 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.863 10.359 8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.938 9.133 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.594 8.775 8.496 1.00 0.00 H new ATOM 592 N ILE A 38 5.188 8.188 2.544 1.00 0.00 N ATOM 593 CA ILE A 38 5.436 7.178 1.522 1.00 0.00 C ATOM 594 C ILE A 38 5.497 7.804 0.133 1.00 0.00 C ATOM 595 O ILE A 38 6.282 7.384 -0.715 1.00 0.00 O ATOM 596 CB ILE A 38 4.349 6.087 1.534 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.400 5.299 2.845 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.521 5.156 0.343 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.562 4.041 2.826 1.00 0.00 C ATOM 0 H ILE A 38 4.218 8.497 2.605 1.00 0.00 H new ATOM 0 HA ILE A 38 6.399 6.723 1.755 1.00 0.00 H new ATOM 0 HB ILE A 38 3.373 6.566 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.435 5.033 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.060 5.940 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.746 4.390 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.440 5.728 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.501 4.681 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.646 3.534 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.519 4.301 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.916 3.380 2.035 1.00 0.00 H new ATOM 611 N GLY A 39 4.663 8.815 -0.091 1.00 0.00 N ATOM 612 CA GLY A 39 4.639 9.485 -1.378 1.00 0.00 C ATOM 613 C GLY A 39 3.248 9.538 -1.979 1.00 0.00 C ATOM 614 O GLY A 39 2.921 10.462 -2.724 1.00 0.00 O ATOM 0 H GLY A 39 4.004 9.182 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.021 10.500 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.309 8.969 -2.065 1.00 0.00 H new ATOM 618 N ARG A 40 2.427 8.544 -1.655 1.00 0.00 N ATOM 619 CA ARG A 40 1.065 8.480 -2.170 1.00 0.00 C ATOM 620 C ARG A 40 0.087 9.142 -1.204 1.00 0.00 C ATOM 621 O ARG A 40 0.457 9.529 -0.095 1.00 0.00 O ATOM 622 CB ARG A 40 0.655 7.026 -2.410 1.00 0.00 C ATOM 623 CG ARG A 40 0.970 6.528 -3.811 1.00 0.00 C ATOM 624 CD ARG A 40 2.420 6.086 -3.933 1.00 0.00 C ATOM 625 NE ARG A 40 3.319 7.214 -4.162 1.00 0.00 N ATOM 626 CZ ARG A 40 4.502 7.101 -4.754 1.00 0.00 C ATOM 627 NH1 ARG A 40 4.927 5.918 -5.175 1.00 0.00 N ATOM 628 NH2 ARG A 40 5.264 8.175 -4.927 1.00 0.00 N ATOM 0 H ARG A 40 2.682 7.772 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 40 1.036 9.019 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.162 6.390 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.415 6.925 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.313 5.695 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.768 7.319 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.718 5.564 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.514 5.375 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 40 3.022 8.139 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.345 5.091 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.836 5.835 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.940 9.087 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.173 8.088 -5.382 1.00 0.00 H new ATOM 642 N THR A 41 -1.165 9.270 -1.632 1.00 0.00 N ATOM 643 CA THR A 41 -2.196 9.886 -0.807 1.00 0.00 C ATOM 644 C THR A 41 -2.765 8.890 0.198 1.00 0.00 C ATOM 645 O THR A 41 -2.633 7.679 0.027 1.00 0.00 O ATOM 646 CB THR A 41 -3.346 10.444 -1.667 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.893 9.405 -2.486 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.860 11.586 -2.545 1.00 0.00 C ATOM 0 H THR A 41 -1.489 8.955 -2.546 1.00 0.00 H new ATOM 0 HA THR A 41 -1.722 10.708 -0.271 1.00 0.00 H new ATOM 0 HB THR A 41 -4.119 10.824 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.625 9.767 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.689 11.964 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.471 12.388 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.071 11.227 -3.205 1.00 0.00 H new ATOM 656 N ALA A 42 -3.398 9.409 1.245 1.00 0.00 N ATOM 657 CA ALA A 42 -3.989 8.565 2.275 1.00 0.00 C ATOM 658 C ALA A 42 -4.827 7.450 1.658 1.00 0.00 C ATOM 659 O ALA A 42 -4.662 6.278 1.992 1.00 0.00 O ATOM 660 CB ALA A 42 -4.836 9.402 3.222 1.00 0.00 C ATOM 0 H ALA A 42 -3.514 10.410 1.402 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.179 8.104 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.271 8.758 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.211 10.158 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.633 9.890 2.662 1.00 0.00 H new ATOM 666 N ALA A 43 -5.729 7.825 0.755 1.00 0.00 N ATOM 667 CA ALA A 43 -6.592 6.857 0.090 1.00 0.00 C ATOM 668 C ALA A 43 -5.773 5.849 -0.709 1.00 0.00 C ATOM 669 O ALA A 43 -6.079 4.657 -0.720 1.00 0.00 O ATOM 670 CB ALA A 43 -7.585 7.570 -0.815 1.00 0.00 C ATOM 0 H ALA A 43 -5.880 8.792 0.468 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.143 6.311 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.223 6.835 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.200 8.245 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.044 8.142 -1.569 1.00 0.00 H new ATOM 676 N GLN A 44 -4.732 6.336 -1.377 1.00 0.00 N ATOM 677 CA GLN A 44 -3.870 5.477 -2.180 1.00 0.00 C ATOM 678 C GLN A 44 -3.151 4.457 -1.305 1.00 0.00 C ATOM 679 O GLN A 44 -3.043 3.283 -1.663 1.00 0.00 O ATOM 680 CB GLN A 44 -2.849 6.318 -2.948 1.00 0.00 C ATOM 681 CG GLN A 44 -3.348 6.793 -4.303 1.00 0.00 C ATOM 682 CD GLN A 44 -2.218 7.077 -5.274 1.00 0.00 C ATOM 683 OE1 GLN A 44 -1.517 8.184 -5.060 1.00 0.00 O flip ATOM 684 NE2 GLN A 44 -1.979 6.309 -6.207 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.465 7.321 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.497 4.940 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.578 7.185 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.941 5.732 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.007 6.036 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.944 7.696 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.544 5.469 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.216 6.513 -6.853 1.00 0.00 H new ATOM 693 N CYS A 45 -2.660 4.911 -0.157 1.00 0.00 N ATOM 694 CA CYS A 45 -1.949 4.036 0.769 1.00 0.00 C ATOM 695 C CYS A 45 -2.886 2.984 1.352 1.00 0.00 C ATOM 696 O CYS A 45 -2.558 1.798 1.391 1.00 0.00 O ATOM 697 CB CYS A 45 -1.320 4.857 1.896 1.00 0.00 C ATOM 698 SG CYS A 45 0.074 5.884 1.373 1.00 0.00 S ATOM 0 H CYS A 45 -2.741 5.879 0.155 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.160 3.526 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.085 5.498 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.984 4.179 2.681 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.367 6.904 0.698 1.00 0.00 H new ATOM 704 N LEU A 46 -4.054 3.427 1.806 1.00 0.00 N ATOM 705 CA LEU A 46 -5.040 2.523 2.389 1.00 0.00 C ATOM 706 C LEU A 46 -5.572 1.549 1.343 1.00 0.00 C ATOM 707 O LEU A 46 -5.639 0.344 1.581 1.00 0.00 O ATOM 708 CB LEU A 46 -6.196 3.321 2.995 1.00 0.00 C ATOM 709 CG LEU A 46 -7.475 2.534 3.286 1.00 0.00 C ATOM 710 CD1 LEU A 46 -7.216 1.464 4.335 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.586 3.470 3.738 1.00 0.00 C ATOM 0 H LEU A 46 -4.341 4.405 1.782 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.550 1.949 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.851 3.772 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.442 4.138 2.317 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.794 2.042 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.137 0.914 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.452 0.776 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.873 1.934 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.488 2.893 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.277 3.990 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.790 4.198 2.953 1.00 0.00 H new ATOM 723 N GLU A 47 -5.947 2.080 0.184 1.00 0.00 N ATOM 724 CA GLU A 47 -6.472 1.257 -0.899 1.00 0.00 C ATOM 725 C GLU A 47 -5.428 0.247 -1.369 1.00 0.00 C ATOM 726 O GLU A 47 -5.700 -0.952 -1.449 1.00 0.00 O ATOM 727 CB GLU A 47 -6.911 2.136 -2.072 1.00 0.00 C ATOM 728 CG GLU A 47 -7.869 1.444 -3.026 1.00 0.00 C ATOM 729 CD GLU A 47 -7.924 2.113 -4.386 1.00 0.00 C ATOM 730 OE1 GLU A 47 -8.453 3.241 -4.470 1.00 0.00 O ATOM 731 OE2 GLU A 47 -7.439 1.508 -5.365 1.00 0.00 O ATOM 0 H GLU A 47 -5.897 3.076 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.337 0.712 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.387 3.036 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.028 2.456 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.566 0.404 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.868 1.435 -2.589 1.00 0.00 H new ATOM 738 N HIS A 48 -4.234 0.740 -1.680 1.00 0.00 N ATOM 739 CA HIS A 48 -3.149 -0.118 -2.142 1.00 0.00 C ATOM 740 C HIS A 48 -2.765 -1.134 -1.070 1.00 0.00 C ATOM 741 O HIS A 48 -2.669 -2.331 -1.341 1.00 0.00 O ATOM 742 CB HIS A 48 -1.931 0.724 -2.523 1.00 0.00 C ATOM 743 CG HIS A 48 -0.915 -0.023 -3.331 1.00 0.00 C ATOM 744 ND1 HIS A 48 -1.153 -0.465 -4.615 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.349 -0.404 -3.032 1.00 0.00 C ATOM 746 CE1 HIS A 48 -0.080 -1.087 -5.070 1.00 0.00 C ATOM 747 NE2 HIS A 48 0.846 -1.064 -4.129 1.00 0.00 N ATOM 0 H HIS A 48 -3.993 1.729 -1.621 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.497 -0.659 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.264 1.594 -3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.458 1.096 -1.614 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.022 -0.332 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.870 -0.223 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.022 -1.538 -6.046 1.00 0.00 H new ATOM 756 N TYR A 49 -2.546 -0.648 0.147 1.00 0.00 N ATOM 757 CA TYR A 49 -2.170 -1.513 1.259 1.00 0.00 C ATOM 758 C TYR A 49 -3.045 -2.762 1.298 1.00 0.00 C ATOM 759 O TYR A 49 -2.579 -3.867 1.020 1.00 0.00 O ATOM 760 CB TYR A 49 -2.284 -0.755 2.583 1.00 0.00 C ATOM 761 CG TYR A 49 -2.217 -1.650 3.800 1.00 0.00 C ATOM 762 CD1 TYR A 49 -1.111 -2.458 4.032 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.260 -1.687 4.717 1.00 0.00 C ATOM 764 CE1 TYR A 49 -1.046 -3.277 5.142 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.202 -2.502 5.831 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.093 -3.296 6.039 1.00 0.00 C ATOM 767 OH TYR A 49 -2.033 -4.110 7.147 1.00 0.00 O ATOM 0 H TYR A 49 -2.622 0.340 0.388 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.135 -1.821 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.483 -0.018 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.225 -0.205 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.288 -2.445 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.131 -1.068 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.179 -3.900 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.021 -2.518 6.535 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.851 -4.003 7.676 1.00 0.00 H new ATOM 777 N GLU A 50 -4.315 -2.577 1.644 1.00 0.00 N ATOM 778 CA GLU A 50 -5.255 -3.688 1.720 1.00 0.00 C ATOM 779 C GLU A 50 -5.112 -4.606 0.509 1.00 0.00 C ATOM 780 O GLU A 50 -4.984 -5.822 0.649 1.00 0.00 O ATOM 781 CB GLU A 50 -6.690 -3.166 1.810 1.00 0.00 C ATOM 782 CG GLU A 50 -6.994 -2.443 3.112 1.00 0.00 C ATOM 783 CD GLU A 50 -7.321 -3.396 4.245 1.00 0.00 C ATOM 784 OE1 GLU A 50 -6.377 -3.923 4.869 1.00 0.00 O ATOM 785 OE2 GLU A 50 -8.522 -3.614 4.509 1.00 0.00 O ATOM 0 H GLU A 50 -4.716 -1.668 1.876 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.027 -4.262 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.874 -2.488 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.380 -4.003 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.136 -1.831 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.833 -1.764 2.959 1.00 0.00 H new ATOM 792 N PHE A 51 -5.134 -4.014 -0.681 1.00 0.00 N ATOM 793 CA PHE A 51 -5.008 -4.777 -1.917 1.00 0.00 C ATOM 794 C PHE A 51 -3.835 -5.750 -1.839 1.00 0.00 C ATOM 795 O PHE A 51 -3.934 -6.896 -2.279 1.00 0.00 O ATOM 796 CB PHE A 51 -4.824 -3.833 -3.107 1.00 0.00 C ATOM 797 CG PHE A 51 -4.267 -4.508 -4.327 1.00 0.00 C ATOM 798 CD1 PHE A 51 -2.910 -4.770 -4.432 1.00 0.00 C ATOM 799 CD2 PHE A 51 -5.099 -4.883 -5.370 1.00 0.00 C ATOM 800 CE1 PHE A 51 -2.394 -5.391 -5.554 1.00 0.00 C ATOM 801 CE2 PHE A 51 -4.589 -5.504 -6.494 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.235 -5.759 -6.586 1.00 0.00 C ATOM 0 H PHE A 51 -5.238 -3.008 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.924 -5.351 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.786 -3.385 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.159 -3.020 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.248 -4.486 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.159 -4.687 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.334 -5.588 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.249 -5.790 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.834 -6.245 -7.463 1.00 0.00 H new ATOM 812 N LEU A 52 -2.726 -5.285 -1.276 1.00 0.00 N ATOM 813 CA LEU A 52 -1.532 -6.112 -1.139 1.00 0.00 C ATOM 814 C LEU A 52 -1.824 -7.356 -0.305 1.00 0.00 C ATOM 815 O LEU A 52 -1.452 -8.469 -0.679 1.00 0.00 O ATOM 816 CB LEU A 52 -0.401 -5.308 -0.497 1.00 0.00 C ATOM 817 CG LEU A 52 0.081 -4.085 -1.279 1.00 0.00 C ATOM 818 CD1 LEU A 52 1.099 -3.300 -0.467 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.673 -4.506 -2.616 1.00 0.00 C ATOM 0 H LEU A 52 -2.628 -4.339 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.224 -6.429 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.731 -4.978 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.448 -5.973 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.776 -3.439 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.431 -2.434 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.642 -2.966 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.955 -3.937 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.011 -3.623 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.518 -5.173 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.085 -5.024 -3.203 1.00 0.00 H new ATOM 831 N LEU A 53 -2.494 -7.160 0.825 1.00 0.00 N ATOM 832 CA LEU A 53 -2.839 -8.266 1.712 1.00 0.00 C ATOM 833 C LEU A 53 -3.542 -9.380 0.944 1.00 0.00 C ATOM 834 O LEU A 53 -3.107 -10.532 0.964 1.00 0.00 O ATOM 835 CB LEU A 53 -3.734 -7.773 2.850 1.00 0.00 C ATOM 836 CG LEU A 53 -3.055 -6.901 3.908 1.00 0.00 C ATOM 837 CD1 LEU A 53 -1.914 -7.657 4.570 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.551 -5.606 3.288 1.00 0.00 C ATOM 0 H LEU A 53 -2.809 -6.246 1.149 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.915 -8.665 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.560 -7.208 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.167 -8.641 3.347 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.790 -6.652 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.443 -7.021 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.303 -8.556 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.177 -7.937 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.071 -4.998 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.831 -5.835 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.390 -5.056 2.862 1.00 0.00 H new ATOM 850 N ASP A 54 -4.629 -9.030 0.266 1.00 0.00 N ATOM 851 CA ASP A 54 -5.391 -10.000 -0.512 1.00 0.00 C ATOM 852 C ASP A 54 -4.526 -10.619 -1.606 1.00 0.00 C ATOM 853 O ASP A 54 -4.567 -11.828 -1.835 1.00 0.00 O ATOM 854 CB ASP A 54 -6.622 -9.336 -1.132 1.00 0.00 C ATOM 855 CG ASP A 54 -7.740 -10.324 -1.399 1.00 0.00 C ATOM 856 OD1 ASP A 54 -7.438 -11.509 -1.650 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.918 -9.912 -1.356 1.00 0.00 O ATOM 0 H ASP A 54 -5.003 -8.081 0.239 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.717 -10.793 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.984 -8.554 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.338 -8.852 -2.066 1.00 0.00 H new ATOM 862 N LYS A 55 -3.745 -9.782 -2.280 1.00 0.00 N ATOM 863 CA LYS A 55 -2.870 -10.245 -3.350 1.00 0.00 C ATOM 864 C LYS A 55 -1.929 -11.336 -2.849 1.00 0.00 C ATOM 865 O LYS A 55 -1.698 -12.332 -3.534 1.00 0.00 O ATOM 866 CB LYS A 55 -2.058 -9.077 -3.915 1.00 0.00 C ATOM 867 CG LYS A 55 -1.116 -9.477 -5.037 1.00 0.00 C ATOM 868 CD LYS A 55 0.110 -8.580 -5.082 1.00 0.00 C ATOM 869 CE LYS A 55 0.689 -8.498 -6.486 1.00 0.00 C ATOM 870 NZ LYS A 55 1.367 -9.764 -6.881 1.00 0.00 N ATOM 0 H LYS A 55 -3.700 -8.778 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.494 -10.662 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.743 -8.313 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.479 -8.625 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.805 -10.513 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.641 -9.425 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.156 -7.581 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.867 -8.962 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.108 -8.276 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.400 -7.674 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.748 -9.668 -7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.144 -9.963 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.683 -10.547 -6.856 1.00 0.00 H new ATOM 884 N ALA A 56 -1.389 -11.142 -1.650 1.00 0.00 N ATOM 885 CA ALA A 56 -0.476 -12.111 -1.057 1.00 0.00 C ATOM 886 C ALA A 56 -1.193 -13.420 -0.745 1.00 0.00 C ATOM 887 O ALA A 56 -0.629 -14.502 -0.908 1.00 0.00 O ATOM 888 CB ALA A 56 0.155 -11.539 0.203 1.00 0.00 C ATOM 0 H ALA A 56 -1.568 -10.322 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 56 0.312 -12.322 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.835 -12.273 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.709 -10.634 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.626 -11.299 0.924 1.00 0.00 H new ATOM 894 N ALA A 57 -2.438 -13.314 -0.294 1.00 0.00 N ATOM 895 CA ALA A 57 -3.232 -14.490 0.040 1.00 0.00 C ATOM 896 C ALA A 57 -3.618 -15.266 -1.214 1.00 0.00 C ATOM 897 O ALA A 57 -3.453 -16.484 -1.276 1.00 0.00 O ATOM 898 CB ALA A 57 -4.477 -14.084 0.816 1.00 0.00 C ATOM 0 H ALA A 57 -2.919 -12.426 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.624 -15.142 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.060 -14.972 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.184 -13.580 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.080 -13.409 0.209 1.00 0.00 H new ATOM 904 N GLN A 58 -4.134 -14.553 -2.211 1.00 0.00 N ATOM 905 CA GLN A 58 -4.544 -15.177 -3.463 1.00 0.00 C ATOM 906 C GLN A 58 -3.344 -15.760 -4.201 1.00 0.00 C ATOM 907 O GLN A 58 -3.386 -16.894 -4.678 1.00 0.00 O ATOM 908 CB GLN A 58 -5.260 -14.159 -4.353 1.00 0.00 C ATOM 909 CG GLN A 58 -4.415 -12.940 -4.684 1.00 0.00 C ATOM 910 CD GLN A 58 -5.239 -11.789 -5.226 1.00 0.00 C ATOM 911 OE1 GLN A 58 -5.116 -11.418 -6.394 1.00 0.00 O ATOM 912 NE2 GLN A 58 -6.086 -11.216 -4.379 1.00 0.00 N ATOM 0 H GLN A 58 -4.278 -13.544 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.230 -15.990 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.559 -14.647 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.174 -13.833 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.888 -12.614 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.657 -13.216 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.156 -11.555 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.667 -10.436 -4.688 1.00 0.00 H new ATOM 921 N ARG A 59 -2.274 -14.976 -4.291 1.00 0.00 N ATOM 922 CA ARG A 59 -1.061 -15.414 -4.972 1.00 0.00 C ATOM 923 C ARG A 59 -0.450 -16.623 -4.270 1.00 0.00 C ATOM 924 O ARG A 59 -0.180 -16.586 -3.069 1.00 0.00 O ATOM 925 CB ARG A 59 -0.042 -14.275 -5.028 1.00 0.00 C ATOM 926 CG ARG A 59 1.289 -14.677 -5.642 1.00 0.00 C ATOM 927 CD ARG A 59 2.212 -13.480 -5.805 1.00 0.00 C ATOM 928 NE ARG A 59 3.435 -13.826 -6.524 1.00 0.00 N ATOM 929 CZ ARG A 59 4.572 -13.149 -6.409 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.641 -12.095 -5.607 1.00 0.00 N ATOM 931 NH2 ARG A 59 5.643 -13.526 -7.096 1.00 0.00 N ATOM 0 H ARG A 59 -2.223 -14.035 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.329 -15.702 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.463 -13.450 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.131 -13.904 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.770 -15.425 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.117 -15.140 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.688 -12.689 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.469 -13.084 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 59 3.415 -14.632 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.820 -11.803 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.515 -11.577 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.594 -14.337 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.515 -13.005 -7.007 1.00 0.00 H new ATOM 945 N ASP A 60 -0.234 -17.694 -5.027 1.00 0.00 N ATOM 946 CA ASP A 60 0.346 -18.914 -4.478 1.00 0.00 C ATOM 947 C ASP A 60 1.708 -18.634 -3.850 1.00 0.00 C ATOM 948 O ASP A 60 1.941 -18.948 -2.683 1.00 0.00 O ATOM 949 CB ASP A 60 0.483 -19.975 -5.570 1.00 0.00 C ATOM 950 CG ASP A 60 0.911 -19.386 -6.900 1.00 0.00 C ATOM 951 OD1 ASP A 60 2.129 -19.188 -7.097 1.00 0.00 O ATOM 952 OD2 ASP A 60 0.029 -19.123 -7.743 1.00 0.00 O ATOM 0 H ASP A 60 -0.452 -17.742 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.322 -19.287 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.211 -20.723 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.470 -20.490 -5.694 1.00 0.00 H new ATOM 957 N SER A 61 2.604 -18.042 -4.633 1.00 0.00 N ATOM 958 CA SER A 61 3.944 -17.723 -4.155 1.00 0.00 C ATOM 959 C SER A 61 3.888 -16.725 -3.003 1.00 0.00 C ATOM 960 O SER A 61 2.856 -16.102 -2.756 1.00 0.00 O ATOM 961 CB SER A 61 4.794 -17.157 -5.295 1.00 0.00 C ATOM 962 OG SER A 61 5.245 -18.189 -6.156 1.00 0.00 O ATOM 0 H SER A 61 2.426 -17.774 -5.601 1.00 0.00 H new ATOM 0 HA SER A 61 4.402 -18.643 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.210 -16.434 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.650 -16.622 -4.884 1.00 0.00 H new ATOM 0 HG SER A 61 5.784 -17.801 -6.877 1.00 0.00 H new ATOM 968 N GLY A 62 5.007 -16.577 -2.301 1.00 0.00 N ATOM 969 CA GLY A 62 5.065 -15.653 -1.183 1.00 0.00 C ATOM 970 C GLY A 62 5.544 -16.317 0.093 1.00 0.00 C ATOM 971 O GLY A 62 4.750 -16.739 0.934 1.00 0.00 O ATOM 0 H GLY A 62 5.875 -17.080 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.732 -14.828 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.076 -15.225 -1.017 1.00 0.00 H new ATOM 975 N PRO A 63 6.872 -16.418 0.250 1.00 0.00 N ATOM 976 CA PRO A 63 7.485 -17.035 1.430 1.00 0.00 C ATOM 977 C PRO A 63 7.302 -16.191 2.687 1.00 0.00 C ATOM 978 O PRO A 63 6.730 -15.102 2.637 1.00 0.00 O ATOM 979 CB PRO A 63 8.967 -17.122 1.056 1.00 0.00 C ATOM 980 CG PRO A 63 9.168 -16.038 0.053 1.00 0.00 C ATOM 981 CD PRO A 63 7.878 -15.936 -0.712 1.00 0.00 C ATOM 0 HA PRO A 63 7.034 -17.999 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.605 -16.978 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.214 -18.098 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.407 -15.094 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.999 -16.272 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.676 -14.912 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.896 -16.547 -1.614 1.00 0.00 H new ATOM 989 N SER A 64 7.791 -16.701 3.813 1.00 0.00 N ATOM 990 CA SER A 64 7.678 -15.995 5.084 1.00 0.00 C ATOM 991 C SER A 64 8.895 -15.104 5.321 1.00 0.00 C ATOM 992 O SER A 64 10.029 -15.581 5.357 1.00 0.00 O ATOM 993 CB SER A 64 7.531 -16.992 6.234 1.00 0.00 C ATOM 994 OG SER A 64 8.638 -17.875 6.289 1.00 0.00 O ATOM 0 H SER A 64 8.269 -17.600 3.871 1.00 0.00 H new ATOM 0 HA SER A 64 6.790 -15.365 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.445 -16.453 7.178 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.612 -17.564 6.108 1.00 0.00 H new ATOM 0 HG SER A 64 9.431 -17.429 5.924 1.00 0.00 H new ATOM 1000 N SER A 65 8.649 -13.808 5.481 1.00 0.00 N ATOM 1001 CA SER A 65 9.723 -12.849 5.711 1.00 0.00 C ATOM 1002 C SER A 65 10.454 -13.154 7.015 1.00 0.00 C ATOM 1003 O SER A 65 10.083 -12.658 8.078 1.00 0.00 O ATOM 1004 CB SER A 65 9.165 -11.425 5.746 1.00 0.00 C ATOM 1005 OG SER A 65 8.220 -11.274 6.791 1.00 0.00 O ATOM 0 H SER A 65 7.715 -13.398 5.456 1.00 0.00 H new ATOM 0 HA SER A 65 10.434 -12.933 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.980 -10.715 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.696 -11.191 4.790 1.00 0.00 H new ATOM 0 HG SER A 65 8.595 -11.628 7.625 1.00 0.00 H new ATOM 1011 N GLY A 66 11.496 -13.974 6.924 1.00 0.00 N ATOM 1012 CA GLY A 66 12.264 -14.332 8.103 1.00 0.00 C ATOM 1013 C GLY A 66 12.971 -13.140 8.718 1.00 0.00 C ATOM 1014 O GLY A 66 12.611 -11.993 8.455 1.00 0.00 O ATOM 0 H GLY A 66 11.822 -14.397 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.600 -14.779 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.001 -15.090 7.837 1.00 0.00 H new TER 1018 GLY A 66