USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 170:sc= -0.557! USER MOD Set 1.2: A 63 GLN : amide:sc= -0.817 K(o=-1.4,f=2.2) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0421 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.0296 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 9 MET CE :methyl -122:sc= 0 (180deg=-0.082) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 20 CYS SG : rot -137:sc= 0.98 USER MOD Single : A 22 THR OG1 : rot 172:sc= 0.938 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 13:sc= 0.627 USER MOD Single : A 26 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-4.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.00776 (180deg=0.000351) USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= 0.00622 (180deg=-1.06) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.8) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 166:sc= -1.14 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-11!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.005 -16.877 9.548 1.00 0.00 N ATOM 2 CA GLY A 1 -18.692 -17.154 8.990 1.00 0.00 C ATOM 3 C GLY A 1 -18.040 -15.874 8.463 1.00 0.00 C ATOM 4 O GLY A 1 -18.305 -14.784 8.968 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.160 -17.476 10.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.061 -15.876 9.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.735 -17.080 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.056 -17.603 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.782 -17.880 8.182 1.00 0.00 H new ATOM 8 N SER A 2 -17.200 -16.049 7.453 1.00 0.00 N ATOM 9 CA SER A 2 -16.508 -14.922 6.851 1.00 0.00 C ATOM 10 C SER A 2 -16.017 -15.296 5.452 1.00 0.00 C ATOM 11 O SER A 2 -16.388 -14.658 4.468 1.00 0.00 O ATOM 12 CB SER A 2 -15.335 -14.467 7.722 1.00 0.00 C ATOM 13 OG SER A 2 -15.627 -13.263 8.425 1.00 0.00 O ATOM 0 H SER A 2 -16.983 -16.954 7.037 1.00 0.00 H new ATOM 0 HA SER A 2 -17.210 -14.092 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.088 -15.253 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.456 -14.317 7.096 1.00 0.00 H new ATOM 0 HG SER A 2 -16.524 -13.322 8.816 1.00 0.00 H new ATOM 19 N SER A 3 -15.188 -16.329 5.406 1.00 0.00 N ATOM 20 CA SER A 3 -14.642 -16.796 4.143 1.00 0.00 C ATOM 21 C SER A 3 -13.914 -18.126 4.348 1.00 0.00 C ATOM 22 O SER A 3 -13.582 -18.489 5.475 1.00 0.00 O ATOM 23 CB SER A 3 -13.694 -15.759 3.537 1.00 0.00 C ATOM 24 OG SER A 3 -12.421 -15.760 4.177 1.00 0.00 O ATOM 0 H SER A 3 -14.881 -16.856 6.224 1.00 0.00 H new ATOM 0 HA SER A 3 -15.467 -16.945 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.565 -15.963 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.140 -14.768 3.620 1.00 0.00 H new ATOM 0 HG SER A 3 -11.845 -15.086 3.760 1.00 0.00 H new ATOM 30 N GLY A 4 -13.687 -18.816 3.240 1.00 0.00 N ATOM 31 CA GLY A 4 -13.004 -20.098 3.283 1.00 0.00 C ATOM 32 C GLY A 4 -12.028 -20.239 2.113 1.00 0.00 C ATOM 33 O GLY A 4 -12.265 -21.023 1.194 1.00 0.00 O ATOM 0 H GLY A 4 -13.964 -18.511 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.464 -20.195 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.736 -20.905 3.250 1.00 0.00 H new ATOM 37 N SER A 5 -10.953 -19.469 2.184 1.00 0.00 N ATOM 38 CA SER A 5 -9.941 -19.499 1.142 1.00 0.00 C ATOM 39 C SER A 5 -8.693 -18.742 1.602 1.00 0.00 C ATOM 40 O SER A 5 -8.782 -17.589 2.021 1.00 0.00 O ATOM 41 CB SER A 5 -10.474 -18.900 -0.161 1.00 0.00 C ATOM 42 OG SER A 5 -10.369 -19.812 -1.251 1.00 0.00 O ATOM 0 H SER A 5 -10.760 -18.820 2.947 1.00 0.00 H new ATOM 0 HA SER A 5 -9.678 -20.539 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.517 -18.613 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.921 -17.991 -0.395 1.00 0.00 H new ATOM 0 HG SER A 5 -10.721 -19.392 -2.064 1.00 0.00 H new ATOM 48 N SER A 6 -7.560 -19.422 1.508 1.00 0.00 N ATOM 49 CA SER A 6 -6.296 -18.828 1.909 1.00 0.00 C ATOM 50 C SER A 6 -5.152 -19.813 1.659 1.00 0.00 C ATOM 51 O SER A 6 -4.991 -20.783 2.397 1.00 0.00 O ATOM 52 CB SER A 6 -6.325 -18.412 3.381 1.00 0.00 C ATOM 53 OG SER A 6 -5.055 -17.949 3.831 1.00 0.00 O ATOM 0 H SER A 6 -7.491 -20.378 1.160 1.00 0.00 H new ATOM 0 HA SER A 6 -6.134 -17.932 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.067 -17.626 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.639 -19.259 3.991 1.00 0.00 H new ATOM 0 HG SER A 6 -5.116 -17.692 4.775 1.00 0.00 H new ATOM 59 N GLY A 7 -4.387 -19.529 0.614 1.00 0.00 N ATOM 60 CA GLY A 7 -3.263 -20.378 0.257 1.00 0.00 C ATOM 61 C GLY A 7 -2.717 -20.012 -1.124 1.00 0.00 C ATOM 62 O GLY A 7 -3.355 -20.284 -2.140 1.00 0.00 O ATOM 0 H GLY A 7 -4.524 -18.723 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.474 -20.276 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.575 -21.422 0.264 1.00 0.00 H new ATOM 66 N ARG A 8 -1.542 -19.401 -1.118 1.00 0.00 N ATOM 67 CA ARG A 8 -0.903 -18.995 -2.358 1.00 0.00 C ATOM 68 C ARG A 8 0.620 -19.059 -2.216 1.00 0.00 C ATOM 69 O ARG A 8 1.261 -18.054 -1.915 1.00 0.00 O ATOM 70 CB ARG A 8 -1.312 -17.573 -2.749 1.00 0.00 C ATOM 71 CG ARG A 8 -2.036 -17.563 -4.097 1.00 0.00 C ATOM 72 CD ARG A 8 -1.657 -16.325 -4.913 1.00 0.00 C ATOM 73 NE ARG A 8 -1.206 -16.728 -6.263 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.178 -15.907 -7.322 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.575 -14.633 -7.193 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.753 -16.359 -8.510 1.00 0.00 N ATOM 0 H ARG A 8 -1.015 -19.177 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.228 -19.682 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.961 -17.153 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.428 -16.938 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.783 -18.463 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.114 -17.581 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.513 -15.655 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.866 -15.773 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.897 -17.691 -6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.898 -14.289 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.554 -14.008 -7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.451 -17.328 -8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.732 -15.734 -9.316 1.00 0.00 H new ATOM 90 N MET A 9 1.153 -20.251 -2.441 1.00 0.00 N ATOM 91 CA MET A 9 2.588 -20.459 -2.342 1.00 0.00 C ATOM 92 C MET A 9 3.334 -19.644 -3.399 1.00 0.00 C ATOM 93 O MET A 9 4.266 -18.908 -3.077 1.00 0.00 O ATOM 94 CB MET A 9 2.902 -21.945 -2.527 1.00 0.00 C ATOM 95 CG MET A 9 3.553 -22.529 -1.271 1.00 0.00 C ATOM 96 SD MET A 9 3.166 -24.266 -1.134 1.00 0.00 S ATOM 97 CE MET A 9 1.512 -24.164 -0.471 1.00 0.00 C ATOM 0 H MET A 9 0.617 -21.082 -2.691 1.00 0.00 H new ATOM 0 HA MET A 9 2.917 -20.129 -1.357 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.985 -22.489 -2.752 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.567 -22.076 -3.380 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.633 -22.391 -1.314 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.199 -21.998 -0.387 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.468 -24.695 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.246 -23.118 -0.315 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.810 -24.616 -1.172 1.00 0.00 H new ATOM 107 N PRO A 10 2.886 -19.806 -4.673 1.00 0.00 N ATOM 108 CA PRO A 10 3.501 -19.094 -5.780 1.00 0.00 C ATOM 109 C PRO A 10 3.084 -17.622 -5.784 1.00 0.00 C ATOM 110 O PRO A 10 1.970 -17.288 -5.384 1.00 0.00 O ATOM 111 CB PRO A 10 3.054 -19.841 -7.025 1.00 0.00 C ATOM 112 CG PRO A 10 1.839 -20.655 -6.610 1.00 0.00 C ATOM 113 CD PRO A 10 1.785 -20.669 -5.091 1.00 0.00 C ATOM 0 HA PRO A 10 4.589 -19.072 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.804 -19.147 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.848 -20.488 -7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.929 -20.218 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.909 -21.671 -6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.828 -20.296 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.903 -21.679 -4.700 1.00 0.00 H new ATOM 121 N THR A 11 4.001 -16.782 -6.240 1.00 0.00 N ATOM 122 CA THR A 11 3.743 -15.353 -6.301 1.00 0.00 C ATOM 123 C THR A 11 3.055 -14.880 -5.019 1.00 0.00 C ATOM 124 O THR A 11 1.828 -14.897 -4.926 1.00 0.00 O ATOM 125 CB THR A 11 2.929 -15.074 -7.566 1.00 0.00 C ATOM 126 OG1 THR A 11 3.855 -15.285 -8.629 1.00 0.00 O ATOM 127 CG2 THR A 11 2.540 -13.600 -7.699 1.00 0.00 C ATOM 0 H THR A 11 4.924 -17.063 -6.571 1.00 0.00 H new ATOM 0 HA THR A 11 4.671 -14.785 -6.362 1.00 0.00 H new ATOM 0 HB THR A 11 2.029 -15.688 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.409 -15.127 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.964 -13.457 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.937 -13.304 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.441 -12.988 -7.738 1.00 0.00 H new ATOM 135 N ARG A 12 3.874 -14.469 -4.063 1.00 0.00 N ATOM 136 CA ARG A 12 3.360 -13.992 -2.791 1.00 0.00 C ATOM 137 C ARG A 12 3.502 -12.471 -2.697 1.00 0.00 C ATOM 138 O ARG A 12 4.615 -11.950 -2.646 1.00 0.00 O ATOM 139 CB ARG A 12 4.101 -14.639 -1.619 1.00 0.00 C ATOM 140 CG ARG A 12 3.202 -14.731 -0.385 1.00 0.00 C ATOM 141 CD ARG A 12 3.330 -16.101 0.286 1.00 0.00 C ATOM 142 NE ARG A 12 4.019 -15.964 1.588 1.00 0.00 N ATOM 143 CZ ARG A 12 3.994 -16.894 2.552 1.00 0.00 C ATOM 144 NH1 ARG A 12 3.314 -18.034 2.366 1.00 0.00 N ATOM 145 NH2 ARG A 12 4.649 -16.685 3.702 1.00 0.00 N ATOM 0 H ARG A 12 4.891 -14.456 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 12 2.307 -14.266 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.438 -15.636 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.992 -14.057 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.471 -13.948 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.165 -14.558 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.342 -16.537 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.886 -16.781 -0.359 1.00 0.00 H new ATOM 0 HE ARG A 12 4.546 -15.108 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.816 -18.193 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.295 -18.742 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.167 -15.818 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.630 -17.393 4.436 1.00 0.00 H new ATOM 159 N ARG A 13 2.358 -11.802 -2.678 1.00 0.00 N ATOM 160 CA ARG A 13 2.341 -10.352 -2.592 1.00 0.00 C ATOM 161 C ARG A 13 2.747 -9.899 -1.188 1.00 0.00 C ATOM 162 O ARG A 13 3.063 -10.724 -0.332 1.00 0.00 O ATOM 163 CB ARG A 13 0.953 -9.797 -2.918 1.00 0.00 C ATOM 164 CG ARG A 13 0.726 -9.741 -4.430 1.00 0.00 C ATOM 165 CD ARG A 13 -0.326 -10.763 -4.865 1.00 0.00 C ATOM 166 NE ARG A 13 -0.372 -10.844 -6.342 1.00 0.00 N ATOM 167 CZ ARG A 13 -1.429 -11.284 -7.038 1.00 0.00 C ATOM 168 NH1 ARG A 13 -2.534 -11.687 -6.395 1.00 0.00 N ATOM 169 NH2 ARG A 13 -1.382 -11.323 -8.376 1.00 0.00 N ATOM 0 H ARG A 13 1.437 -12.238 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 13 3.054 -9.968 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.190 -10.422 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.848 -8.799 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.405 -8.739 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.664 -9.936 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.090 -11.741 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.304 -10.478 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 13 0.453 -10.546 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.570 -11.659 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.339 -12.022 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.541 -11.018 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.187 -11.658 -8.905 1.00 0.00 H new ATOM 183 N TRP A 14 2.725 -8.588 -0.994 1.00 0.00 N ATOM 184 CA TRP A 14 3.087 -8.016 0.291 1.00 0.00 C ATOM 185 C TRP A 14 2.036 -8.450 1.315 1.00 0.00 C ATOM 186 O TRP A 14 0.840 -8.433 1.027 1.00 0.00 O ATOM 187 CB TRP A 14 3.234 -6.496 0.193 1.00 0.00 C ATOM 188 CG TRP A 14 4.441 -6.039 -0.628 1.00 0.00 C ATOM 189 CD1 TRP A 14 5.722 -6.409 -0.488 1.00 0.00 C ATOM 190 CD2 TRP A 14 4.429 -5.106 -1.729 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.533 -5.785 -1.415 1.00 0.00 N ATOM 192 CE2 TRP A 14 5.722 -4.968 -2.193 1.00 0.00 C ATOM 193 CE3 TRP A 14 3.362 -4.403 -2.314 1.00 0.00 C ATOM 194 CZ2 TRP A 14 6.067 -4.132 -3.262 1.00 0.00 C ATOM 195 CZ3 TRP A 14 3.723 -3.572 -3.381 1.00 0.00 C ATOM 196 CH2 TRP A 14 5.020 -3.421 -3.860 1.00 0.00 C ATOM 0 H TRP A 14 2.462 -7.906 -1.706 1.00 0.00 H new ATOM 0 HA TRP A 14 4.061 -8.382 0.615 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.328 -6.082 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.314 -6.084 1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 14 6.075 -7.107 0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.542 -5.902 -1.511 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.343 -4.497 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.086 -4.041 -3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.940 -3.009 -3.866 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.218 -2.758 -4.689 1.00 0.00 H new ATOM 207 N ALA A 15 2.521 -8.829 2.488 1.00 0.00 N ATOM 208 CA ALA A 15 1.638 -9.267 3.556 1.00 0.00 C ATOM 209 C ALA A 15 1.204 -8.054 4.382 1.00 0.00 C ATOM 210 O ALA A 15 1.741 -6.960 4.216 1.00 0.00 O ATOM 211 CB ALA A 15 2.347 -10.325 4.403 1.00 0.00 C ATOM 0 H ALA A 15 3.514 -8.842 2.723 1.00 0.00 H new ATOM 0 HA ALA A 15 0.738 -9.726 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.685 -10.654 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.609 -11.177 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.253 -9.899 4.833 1.00 0.00 H new ATOM 217 N PRO A 16 0.209 -8.295 5.278 1.00 0.00 N ATOM 218 CA PRO A 16 -0.303 -7.236 6.130 1.00 0.00 C ATOM 219 C PRO A 16 0.681 -6.915 7.257 1.00 0.00 C ATOM 220 O PRO A 16 0.923 -7.746 8.130 1.00 0.00 O ATOM 221 CB PRO A 16 -1.640 -7.752 6.638 1.00 0.00 C ATOM 222 CG PRO A 16 -1.613 -9.258 6.429 1.00 0.00 C ATOM 223 CD PRO A 16 -0.451 -9.578 5.502 1.00 0.00 C ATOM 0 HA PRO A 16 -0.431 -6.293 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.779 -7.506 7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.467 -7.297 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.495 -9.774 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.553 -9.600 5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.229 -10.300 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.800 -10.013 4.565 1.00 0.00 H new ATOM 231 N GLY A 17 1.220 -5.706 7.201 1.00 0.00 N ATOM 232 CA GLY A 17 2.172 -5.264 8.206 1.00 0.00 C ATOM 233 C GLY A 17 3.477 -4.797 7.558 1.00 0.00 C ATOM 234 O GLY A 17 4.381 -4.325 8.244 1.00 0.00 O ATOM 0 H GLY A 17 1.016 -5.019 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.740 -4.450 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.378 -6.079 8.900 1.00 0.00 H new ATOM 238 N THR A 18 3.532 -4.944 6.242 1.00 0.00 N ATOM 239 CA THR A 18 4.711 -4.543 5.493 1.00 0.00 C ATOM 240 C THR A 18 4.596 -3.079 5.062 1.00 0.00 C ATOM 241 O THR A 18 3.530 -2.636 4.636 1.00 0.00 O ATOM 242 CB THR A 18 4.878 -5.511 4.320 1.00 0.00 C ATOM 243 OG1 THR A 18 5.299 -6.727 4.931 1.00 0.00 O ATOM 244 CG2 THR A 18 6.045 -5.129 3.407 1.00 0.00 C ATOM 0 H THR A 18 2.779 -5.335 5.676 1.00 0.00 H new ATOM 0 HA THR A 18 5.609 -4.598 6.109 1.00 0.00 H new ATOM 0 HB THR A 18 3.957 -5.539 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.429 -7.411 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.119 -5.848 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.876 -4.133 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.972 -5.134 3.980 1.00 0.00 H new ATOM 252 N GLN A 19 5.708 -2.370 5.186 1.00 0.00 N ATOM 253 CA GLN A 19 5.745 -0.966 4.815 1.00 0.00 C ATOM 254 C GLN A 19 6.094 -0.818 3.332 1.00 0.00 C ATOM 255 O GLN A 19 7.169 -1.231 2.900 1.00 0.00 O ATOM 256 CB GLN A 19 6.733 -0.193 5.690 1.00 0.00 C ATOM 257 CG GLN A 19 6.209 -0.058 7.121 1.00 0.00 C ATOM 258 CD GLN A 19 7.216 0.677 8.008 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.392 0.782 7.700 1.00 0.00 O ATOM 260 NE2 GLN A 19 6.692 1.179 9.122 1.00 0.00 N ATOM 0 H GLN A 19 6.590 -2.742 5.538 1.00 0.00 H new ATOM 0 HA GLN A 19 4.755 -0.541 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.695 -0.705 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.902 0.797 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.262 0.482 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.010 -1.047 7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.699 1.055 9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.283 1.688 9.779 1.00 0.00 H new ATOM 269 N CYS A 20 5.166 -0.228 2.594 1.00 0.00 N ATOM 270 CA CYS A 20 5.362 -0.021 1.170 1.00 0.00 C ATOM 271 C CYS A 20 5.527 1.480 0.921 1.00 0.00 C ATOM 272 O CYS A 20 4.960 2.299 1.642 1.00 0.00 O ATOM 273 CB CYS A 20 4.214 -0.613 0.349 1.00 0.00 C ATOM 274 SG CYS A 20 4.202 -2.435 0.513 1.00 0.00 S ATOM 0 H CYS A 20 4.276 0.113 2.956 1.00 0.00 H new ATOM 0 HA CYS A 20 6.261 -0.543 0.844 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.263 -0.203 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.324 -0.335 -0.699 1.00 0.00 H new ATOM 0 HG CYS A 20 3.996 -2.974 -0.652 1.00 0.00 H new ATOM 280 N ILE A 21 6.306 1.795 -0.104 1.00 0.00 N ATOM 281 CA ILE A 21 6.553 3.183 -0.457 1.00 0.00 C ATOM 282 C ILE A 21 5.891 3.488 -1.802 1.00 0.00 C ATOM 283 O ILE A 21 5.708 2.592 -2.625 1.00 0.00 O ATOM 284 CB ILE A 21 8.053 3.485 -0.427 1.00 0.00 C ATOM 285 CG1 ILE A 21 8.723 2.816 0.775 1.00 0.00 C ATOM 286 CG2 ILE A 21 8.309 4.993 -0.460 1.00 0.00 C ATOM 287 CD1 ILE A 21 7.939 3.088 2.061 1.00 0.00 C ATOM 0 H ILE A 21 6.774 1.113 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 21 6.103 3.849 0.279 1.00 0.00 H new ATOM 0 HB ILE A 21 8.505 3.062 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.791 1.741 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.742 3.187 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.383 5.180 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.886 5.414 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.841 5.461 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.436 2.601 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.894 4.162 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.928 2.694 1.961 1.00 0.00 H new ATOM 299 N THR A 22 5.551 4.755 -1.984 1.00 0.00 N ATOM 300 CA THR A 22 4.913 5.189 -3.216 1.00 0.00 C ATOM 301 C THR A 22 5.968 5.523 -4.273 1.00 0.00 C ATOM 302 O THR A 22 7.079 5.932 -3.939 1.00 0.00 O ATOM 303 CB THR A 22 3.993 6.365 -2.883 1.00 0.00 C ATOM 304 OG1 THR A 22 4.832 7.272 -2.174 1.00 0.00 O ATOM 305 CG2 THR A 22 2.908 5.991 -1.870 1.00 0.00 C ATOM 0 H THR A 22 5.705 5.495 -1.299 1.00 0.00 H new ATOM 0 HA THR A 22 4.305 4.394 -3.648 1.00 0.00 H new ATOM 0 HB THR A 22 3.525 6.730 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.355 8.116 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.283 6.861 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.293 5.188 -2.276 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.375 5.657 -0.943 1.00 0.00 H new ATOM 313 N LYS A 23 5.582 5.336 -5.527 1.00 0.00 N ATOM 314 CA LYS A 23 6.480 5.612 -6.635 1.00 0.00 C ATOM 315 C LYS A 23 6.200 7.016 -7.175 1.00 0.00 C ATOM 316 O LYS A 23 6.995 7.561 -7.940 1.00 0.00 O ATOM 317 CB LYS A 23 6.377 4.514 -7.695 1.00 0.00 C ATOM 318 CG LYS A 23 7.272 3.324 -7.341 1.00 0.00 C ATOM 319 CD LYS A 23 7.515 2.438 -8.564 1.00 0.00 C ATOM 320 CE LYS A 23 7.150 0.982 -8.266 1.00 0.00 C ATOM 321 NZ LYS A 23 8.068 0.062 -8.975 1.00 0.00 N ATOM 0 H LYS A 23 4.660 4.997 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 23 7.516 5.600 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.342 4.182 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.665 4.914 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.225 3.684 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.807 2.737 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.923 2.801 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.562 2.501 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.201 0.800 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.122 0.788 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.806 -0.922 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.999 0.224 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.044 0.236 -8.662 1.00 0.00 H new ATOM 335 N CYS A 24 5.068 7.562 -6.756 1.00 0.00 N ATOM 336 CA CYS A 24 4.673 8.892 -7.188 1.00 0.00 C ATOM 337 C CYS A 24 3.943 9.576 -6.030 1.00 0.00 C ATOM 338 O CYS A 24 3.726 8.969 -4.983 1.00 0.00 O ATOM 339 CB CYS A 24 3.816 8.844 -8.455 1.00 0.00 C ATOM 340 SG CYS A 24 4.859 8.436 -9.901 1.00 0.00 S ATOM 0 H CYS A 24 4.411 7.107 -6.122 1.00 0.00 H new ATOM 0 HA CYS A 24 5.559 9.470 -7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.028 8.099 -8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.326 9.805 -8.609 1.00 0.00 H new ATOM 0 HG CYS A 24 6.019 8.014 -9.494 1.00 0.00 H new ATOM 346 N GLU A 25 3.584 10.831 -6.259 1.00 0.00 N ATOM 347 CA GLU A 25 2.882 11.604 -5.248 1.00 0.00 C ATOM 348 C GLU A 25 1.430 11.836 -5.669 1.00 0.00 C ATOM 349 O GLU A 25 1.163 12.203 -6.812 1.00 0.00 O ATOM 350 CB GLU A 25 3.595 12.932 -4.981 1.00 0.00 C ATOM 351 CG GLU A 25 3.488 13.863 -6.190 1.00 0.00 C ATOM 352 CD GLU A 25 4.797 14.622 -6.415 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.853 14.047 -6.072 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.713 15.761 -6.924 1.00 0.00 O ATOM 0 H GLU A 25 3.766 11.331 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 25 2.883 11.035 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.158 13.414 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.644 12.746 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.242 13.283 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.674 14.572 -6.037 1.00 0.00 H new ATOM 361 N HIS A 26 0.530 11.612 -4.723 1.00 0.00 N ATOM 362 CA HIS A 26 -0.888 11.792 -4.982 1.00 0.00 C ATOM 363 C HIS A 26 -1.457 12.838 -4.021 1.00 0.00 C ATOM 364 O HIS A 26 -1.642 12.562 -2.837 1.00 0.00 O ATOM 365 CB HIS A 26 -1.628 10.454 -4.908 1.00 0.00 C ATOM 366 CG HIS A 26 -2.738 10.309 -5.921 1.00 0.00 C ATOM 367 ND1 HIS A 26 -2.657 10.829 -7.201 1.00 0.00 N ATOM 368 CD2 HIS A 26 -3.954 9.698 -5.830 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.780 10.538 -7.842 1.00 0.00 C ATOM 370 NE2 HIS A 26 -4.582 9.838 -6.991 1.00 0.00 N ATOM 0 H HIS A 26 0.755 11.307 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.031 12.165 -5.996 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.911 9.646 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.045 10.336 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.340 9.187 -4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.018 10.808 -8.860 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.512 9.481 -7.210 1.00 0.00 H new ATOM 378 N THR A 27 -1.718 14.016 -4.567 1.00 0.00 N ATOM 379 CA THR A 27 -2.262 15.105 -3.774 1.00 0.00 C ATOM 380 C THR A 27 -3.790 15.095 -3.831 1.00 0.00 C ATOM 381 O THR A 27 -4.454 15.487 -2.872 1.00 0.00 O ATOM 382 CB THR A 27 -1.643 16.411 -4.276 1.00 0.00 C ATOM 383 OG1 THR A 27 -2.373 16.707 -5.464 1.00 0.00 O ATOM 384 CG2 THR A 27 -0.203 16.229 -4.760 1.00 0.00 C ATOM 0 H THR A 27 -1.563 14.241 -5.550 1.00 0.00 H new ATOM 0 HA THR A 27 -2.007 14.992 -2.720 1.00 0.00 H new ATOM 0 HB THR A 27 -1.667 17.154 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.038 17.541 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.188 17.186 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.413 15.860 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.183 15.511 -5.580 1.00 0.00 H new ATOM 392 N ARG A 28 -4.305 14.644 -4.965 1.00 0.00 N ATOM 393 CA ARG A 28 -5.743 14.578 -5.160 1.00 0.00 C ATOM 394 C ARG A 28 -6.152 13.180 -5.631 1.00 0.00 C ATOM 395 O ARG A 28 -6.169 12.905 -6.830 1.00 0.00 O ATOM 396 CB ARG A 28 -6.208 15.611 -6.189 1.00 0.00 C ATOM 397 CG ARG A 28 -6.336 16.997 -5.555 1.00 0.00 C ATOM 398 CD ARG A 28 -6.619 18.062 -6.616 1.00 0.00 C ATOM 399 NE ARG A 28 -7.676 18.982 -6.140 1.00 0.00 N ATOM 400 CZ ARG A 28 -7.472 19.967 -5.255 1.00 0.00 C ATOM 401 NH1 ARG A 28 -6.249 20.165 -4.743 1.00 0.00 N ATOM 402 NH2 ARG A 28 -8.490 20.753 -4.881 1.00 0.00 N ATOM 0 H ARG A 28 -3.752 14.321 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.217 14.796 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.500 15.650 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.168 15.308 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.139 16.991 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.417 17.244 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.709 18.622 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.931 17.587 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.619 18.858 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.474 19.566 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.093 20.915 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.421 20.602 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.335 21.503 -4.207 1.00 0.00 H new ATOM 416 N PRO A 29 -6.479 12.312 -4.637 1.00 0.00 N ATOM 417 CA PRO A 29 -6.886 10.950 -4.937 1.00 0.00 C ATOM 418 C PRO A 29 -8.313 10.912 -5.486 1.00 0.00 C ATOM 419 O PRO A 29 -8.992 11.937 -5.532 1.00 0.00 O ATOM 420 CB PRO A 29 -6.734 10.196 -3.626 1.00 0.00 C ATOM 421 CG PRO A 29 -6.695 11.256 -2.537 1.00 0.00 C ATOM 422 CD PRO A 29 -6.470 12.602 -3.206 1.00 0.00 C ATOM 0 HA PRO A 29 -6.278 10.492 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.566 9.509 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.822 9.599 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.629 11.260 -1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.896 11.044 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.254 13.312 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.522 13.044 -2.898 1.00 0.00 H new ATOM 430 N LYS A 30 -8.727 9.720 -5.890 1.00 0.00 N ATOM 431 CA LYS A 30 -10.062 9.536 -6.434 1.00 0.00 C ATOM 432 C LYS A 30 -11.097 9.922 -5.376 1.00 0.00 C ATOM 433 O LYS A 30 -10.742 10.243 -4.243 1.00 0.00 O ATOM 434 CB LYS A 30 -10.230 8.112 -6.968 1.00 0.00 C ATOM 435 CG LYS A 30 -10.463 8.118 -8.481 1.00 0.00 C ATOM 436 CD LYS A 30 -11.486 7.053 -8.882 1.00 0.00 C ATOM 437 CE LYS A 30 -10.855 6.005 -9.801 1.00 0.00 C ATOM 438 NZ LYS A 30 -10.572 4.761 -9.051 1.00 0.00 N ATOM 0 H LYS A 30 -8.162 8.872 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.220 10.194 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.341 7.525 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.070 7.629 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.814 9.101 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.521 7.936 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.881 6.568 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.329 7.525 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.526 5.791 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.932 6.396 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.953 4.147 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.100 4.996 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.464 4.264 -8.853 1.00 0.00 H new ATOM 452 N PRO A 31 -12.390 9.877 -5.795 1.00 0.00 N ATOM 453 CA PRO A 31 -13.480 10.219 -4.896 1.00 0.00 C ATOM 454 C PRO A 31 -13.731 9.096 -3.887 1.00 0.00 C ATOM 455 O PRO A 31 -14.523 8.191 -4.145 1.00 0.00 O ATOM 456 CB PRO A 31 -14.671 10.479 -5.804 1.00 0.00 C ATOM 457 CG PRO A 31 -14.333 9.826 -7.134 1.00 0.00 C ATOM 458 CD PRO A 31 -12.848 9.501 -7.129 1.00 0.00 C ATOM 0 HA PRO A 31 -13.263 11.095 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.583 10.056 -5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.842 11.548 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.922 8.920 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.575 10.495 -7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.674 8.443 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.318 10.059 -7.901 1.00 0.00 H new ATOM 466 N GLY A 32 -13.043 9.193 -2.760 1.00 0.00 N ATOM 467 CA GLY A 32 -13.181 8.197 -1.711 1.00 0.00 C ATOM 468 C GLY A 32 -11.879 7.415 -1.521 1.00 0.00 C ATOM 469 O GLY A 32 -11.891 6.298 -1.008 1.00 0.00 O ATOM 0 H GLY A 32 -12.388 9.946 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.456 8.685 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.989 7.509 -1.962 1.00 0.00 H new ATOM 473 N GLU A 33 -10.788 8.034 -1.946 1.00 0.00 N ATOM 474 CA GLU A 33 -9.480 7.411 -1.830 1.00 0.00 C ATOM 475 C GLU A 33 -8.585 8.226 -0.895 1.00 0.00 C ATOM 476 O GLU A 33 -8.939 9.337 -0.502 1.00 0.00 O ATOM 477 CB GLU A 33 -8.829 7.243 -3.204 1.00 0.00 C ATOM 478 CG GLU A 33 -9.342 5.982 -3.903 1.00 0.00 C ATOM 479 CD GLU A 33 -8.618 5.759 -5.232 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.582 6.429 -5.433 1.00 0.00 O ATOM 481 OE2 GLU A 33 -9.117 4.924 -6.018 1.00 0.00 O ATOM 0 H GLU A 33 -10.782 8.961 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.609 6.417 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.041 8.117 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.746 7.187 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.195 5.118 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.414 6.070 -4.079 1.00 0.00 H new ATOM 488 N LEU A 34 -7.442 7.643 -0.565 1.00 0.00 N ATOM 489 CA LEU A 34 -6.493 8.302 0.317 1.00 0.00 C ATOM 490 C LEU A 34 -5.452 9.044 -0.524 1.00 0.00 C ATOM 491 O LEU A 34 -5.219 8.694 -1.680 1.00 0.00 O ATOM 492 CB LEU A 34 -5.887 7.297 1.298 1.00 0.00 C ATOM 493 CG LEU A 34 -4.509 7.653 1.858 1.00 0.00 C ATOM 494 CD1 LEU A 34 -4.623 8.694 2.974 1.00 0.00 C ATOM 495 CD2 LEU A 34 -3.762 6.400 2.318 1.00 0.00 C ATOM 0 H LEU A 34 -7.151 6.722 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.998 9.048 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.576 7.175 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.816 6.330 0.799 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.921 8.102 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.629 8.929 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.085 9.600 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.236 8.295 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.786 6.682 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.336 5.900 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.631 5.724 1.473 1.00 0.00 H new ATOM 507 N ALA A 35 -4.854 10.055 0.089 1.00 0.00 N ATOM 508 CA ALA A 35 -3.844 10.849 -0.589 1.00 0.00 C ATOM 509 C ALA A 35 -2.489 10.625 0.084 1.00 0.00 C ATOM 510 O ALA A 35 -2.427 10.243 1.252 1.00 0.00 O ATOM 511 CB ALA A 35 -4.262 12.321 -0.581 1.00 0.00 C ATOM 0 H ALA A 35 -5.050 10.342 1.048 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.750 10.542 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.504 12.917 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.216 12.431 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.363 12.665 0.448 1.00 0.00 H new ATOM 517 N PHE A 36 -1.436 10.871 -0.681 1.00 0.00 N ATOM 518 CA PHE A 36 -0.085 10.701 -0.173 1.00 0.00 C ATOM 519 C PHE A 36 0.936 11.369 -1.096 1.00 0.00 C ATOM 520 O PHE A 36 0.615 11.726 -2.229 1.00 0.00 O ATOM 521 CB PHE A 36 0.190 9.197 -0.131 1.00 0.00 C ATOM 522 CG PHE A 36 0.003 8.492 -1.476 1.00 0.00 C ATOM 523 CD1 PHE A 36 0.892 8.703 -2.484 1.00 0.00 C ATOM 524 CD2 PHE A 36 -1.051 7.653 -1.664 1.00 0.00 C ATOM 525 CE1 PHE A 36 0.718 8.049 -3.732 1.00 0.00 C ATOM 526 CE2 PHE A 36 -1.224 6.999 -2.912 1.00 0.00 C ATOM 527 CZ PHE A 36 -0.336 7.211 -3.920 1.00 0.00 C ATOM 0 H PHE A 36 -1.491 11.187 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 36 0.003 11.159 0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.211 9.034 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.472 8.738 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.730 9.368 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.756 7.484 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.423 8.217 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.061 6.333 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.468 6.714 -4.870 1.00 0.00 H new ATOM 537 N ARG A 37 2.147 11.517 -0.578 1.00 0.00 N ATOM 538 CA ARG A 37 3.217 12.136 -1.342 1.00 0.00 C ATOM 539 C ARG A 37 4.250 11.085 -1.755 1.00 0.00 C ATOM 540 O ARG A 37 4.126 9.914 -1.398 1.00 0.00 O ATOM 541 CB ARG A 37 3.911 13.231 -0.530 1.00 0.00 C ATOM 542 CG ARG A 37 3.005 14.454 -0.372 1.00 0.00 C ATOM 543 CD ARG A 37 2.654 15.056 -1.734 1.00 0.00 C ATOM 544 NE ARG A 37 2.162 16.441 -1.563 1.00 0.00 N ATOM 545 CZ ARG A 37 2.934 17.472 -1.192 1.00 0.00 C ATOM 546 NH1 ARG A 37 4.238 17.279 -0.950 1.00 0.00 N ATOM 547 NH2 ARG A 37 2.402 18.695 -1.062 1.00 0.00 N ATOM 0 H ARG A 37 2.411 11.219 0.361 1.00 0.00 H new ATOM 0 HA ARG A 37 2.774 12.584 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.181 12.844 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.838 13.522 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.091 14.169 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.503 15.203 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.532 15.050 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.893 14.449 -2.224 1.00 0.00 H new ATOM 0 HE ARG A 37 1.174 16.622 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.643 16.348 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.826 18.063 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.409 18.841 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.990 19.479 -0.780 1.00 0.00 H new ATOM 561 N LYS A 38 5.245 11.541 -2.501 1.00 0.00 N ATOM 562 CA LYS A 38 6.298 10.656 -2.967 1.00 0.00 C ATOM 563 C LYS A 38 7.162 10.229 -1.779 1.00 0.00 C ATOM 564 O LYS A 38 7.554 11.060 -0.961 1.00 0.00 O ATOM 565 CB LYS A 38 7.090 11.314 -4.099 1.00 0.00 C ATOM 566 CG LYS A 38 7.942 10.283 -4.842 1.00 0.00 C ATOM 567 CD LYS A 38 8.955 10.970 -5.762 1.00 0.00 C ATOM 568 CE LYS A 38 9.067 10.236 -7.099 1.00 0.00 C ATOM 569 NZ LYS A 38 7.985 10.659 -8.015 1.00 0.00 N ATOM 0 H LYS A 38 5.344 12.513 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 38 5.871 9.748 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.404 11.795 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.731 12.096 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.466 9.653 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.298 9.628 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.653 12.003 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.931 11.000 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.037 10.441 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.013 9.160 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.492 9.820 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.310 11.260 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.391 11.195 -8.808 1.00 0.00 H new ATOM 583 N GLY A 39 7.434 8.933 -1.721 1.00 0.00 N ATOM 584 CA GLY A 39 8.244 8.386 -0.646 1.00 0.00 C ATOM 585 C GLY A 39 7.478 8.396 0.678 1.00 0.00 C ATOM 586 O GLY A 39 7.990 8.867 1.693 1.00 0.00 O ATOM 0 H GLY A 39 7.108 8.246 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.539 7.366 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.160 8.967 -0.544 1.00 0.00 H new ATOM 590 N ASP A 40 6.263 7.871 0.626 1.00 0.00 N ATOM 591 CA ASP A 40 5.420 7.814 1.809 1.00 0.00 C ATOM 592 C ASP A 40 5.352 6.370 2.311 1.00 0.00 C ATOM 593 O ASP A 40 5.239 5.438 1.517 1.00 0.00 O ATOM 594 CB ASP A 40 3.995 8.273 1.493 1.00 0.00 C ATOM 595 CG ASP A 40 3.706 9.743 1.801 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.959 10.572 0.901 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.239 10.005 2.931 1.00 0.00 O ATOM 0 H ASP A 40 5.842 7.481 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 40 5.851 8.472 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.797 8.093 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.297 7.655 2.057 1.00 0.00 H new ATOM 602 N VAL A 41 5.423 6.231 3.627 1.00 0.00 N ATOM 603 CA VAL A 41 5.371 4.917 4.244 1.00 0.00 C ATOM 604 C VAL A 41 3.922 4.588 4.610 1.00 0.00 C ATOM 605 O VAL A 41 3.190 5.448 5.097 1.00 0.00 O ATOM 606 CB VAL A 41 6.317 4.866 5.445 1.00 0.00 C ATOM 607 CG1 VAL A 41 6.149 3.557 6.220 1.00 0.00 C ATOM 608 CG2 VAL A 41 7.770 5.061 5.007 1.00 0.00 C ATOM 0 H VAL A 41 5.516 7.007 4.283 1.00 0.00 H new ATOM 0 HA VAL A 41 5.712 4.153 3.546 1.00 0.00 H new ATOM 0 HB VAL A 41 6.055 5.687 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.833 3.546 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.123 3.476 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.371 2.715 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.422 5.020 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.049 4.272 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.876 6.030 4.520 1.00 0.00 H new ATOM 618 N VAL A 42 3.552 3.340 4.361 1.00 0.00 N ATOM 619 CA VAL A 42 2.204 2.886 4.658 1.00 0.00 C ATOM 620 C VAL A 42 2.240 1.402 5.025 1.00 0.00 C ATOM 621 O VAL A 42 2.996 0.631 4.436 1.00 0.00 O ATOM 622 CB VAL A 42 1.278 3.189 3.478 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.106 4.697 3.289 1.00 0.00 C ATOM 624 CG2 VAL A 42 1.791 2.530 2.196 1.00 0.00 C ATOM 0 H VAL A 42 4.162 2.629 3.957 1.00 0.00 H new ATOM 0 HA VAL A 42 1.800 3.423 5.516 1.00 0.00 H new ATOM 0 HB VAL A 42 0.299 2.767 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.443 4.885 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.675 5.130 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.077 5.153 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.115 2.761 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.787 2.909 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.837 1.450 2.335 1.00 0.00 H new ATOM 634 N THR A 43 1.412 1.045 5.996 1.00 0.00 N ATOM 635 CA THR A 43 1.339 -0.334 6.448 1.00 0.00 C ATOM 636 C THR A 43 0.148 -1.045 5.803 1.00 0.00 C ATOM 637 O THR A 43 -0.963 -0.516 5.790 1.00 0.00 O ATOM 638 CB THR A 43 1.287 -0.328 7.977 1.00 0.00 C ATOM 639 OG1 THR A 43 2.601 0.061 8.368 1.00 0.00 O ATOM 640 CG2 THR A 43 1.125 -1.732 8.563 1.00 0.00 C ATOM 0 H THR A 43 0.786 1.687 6.482 1.00 0.00 H new ATOM 0 HA THR A 43 2.219 -0.898 6.140 1.00 0.00 H new ATOM 0 HB THR A 43 0.462 0.302 8.309 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.656 0.092 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.094 -1.671 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.198 -2.174 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.968 -2.353 8.259 1.00 0.00 H new ATOM 648 N ILE A 44 0.419 -2.233 5.283 1.00 0.00 N ATOM 649 CA ILE A 44 -0.616 -3.022 4.637 1.00 0.00 C ATOM 650 C ILE A 44 -1.654 -3.444 5.679 1.00 0.00 C ATOM 651 O ILE A 44 -1.394 -4.325 6.497 1.00 0.00 O ATOM 652 CB ILE A 44 0.001 -4.195 3.873 1.00 0.00 C ATOM 653 CG1 ILE A 44 1.020 -3.703 2.844 1.00 0.00 C ATOM 654 CG2 ILE A 44 -1.083 -5.066 3.236 1.00 0.00 C ATOM 655 CD1 ILE A 44 0.325 -3.240 1.562 1.00 0.00 C ATOM 0 H ILE A 44 1.341 -2.669 5.296 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.138 -2.425 3.889 1.00 0.00 H new ATOM 0 HB ILE A 44 0.539 -4.821 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.599 -2.881 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.723 -4.503 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.617 -5.892 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.736 -5.461 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.669 -4.466 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.072 -2.895 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.234 -4.071 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.359 -2.424 1.794 1.00 0.00 H new ATOM 667 N LEU A 45 -2.808 -2.796 5.616 1.00 0.00 N ATOM 668 CA LEU A 45 -3.885 -3.093 6.544 1.00 0.00 C ATOM 669 C LEU A 45 -4.479 -4.463 6.207 1.00 0.00 C ATOM 670 O LEU A 45 -4.586 -5.327 7.076 1.00 0.00 O ATOM 671 CB LEU A 45 -4.915 -1.961 6.551 1.00 0.00 C ATOM 672 CG LEU A 45 -4.398 -0.587 6.981 1.00 0.00 C ATOM 673 CD1 LEU A 45 -5.222 0.533 6.343 1.00 0.00 C ATOM 674 CD2 LEU A 45 -4.354 -0.470 8.505 1.00 0.00 C ATOM 0 H LEU A 45 -3.020 -2.066 4.936 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.504 -3.152 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.335 -1.872 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.732 -2.244 7.215 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.375 -0.479 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.834 1.499 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.157 0.459 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.263 0.439 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.983 0.516 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.357 -0.608 8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.691 -1.235 8.910 1.00 0.00 H new ATOM 686 N GLU A 46 -4.850 -4.617 4.945 1.00 0.00 N ATOM 687 CA GLU A 46 -5.430 -5.866 4.483 1.00 0.00 C ATOM 688 C GLU A 46 -5.007 -6.147 3.040 1.00 0.00 C ATOM 689 O GLU A 46 -4.556 -5.245 2.335 1.00 0.00 O ATOM 690 CB GLU A 46 -6.954 -5.844 4.613 1.00 0.00 C ATOM 691 CG GLU A 46 -7.406 -6.544 5.896 1.00 0.00 C ATOM 692 CD GLU A 46 -8.665 -7.378 5.652 1.00 0.00 C ATOM 693 OE1 GLU A 46 -8.616 -8.224 4.733 1.00 0.00 O ATOM 694 OE2 GLU A 46 -9.648 -7.151 6.390 1.00 0.00 O ATOM 0 H GLU A 46 -4.760 -3.897 4.228 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.056 -6.672 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.307 -4.813 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.403 -6.335 3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.606 -7.186 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.602 -5.802 6.670 1.00 0.00 H new ATOM 701 N ALA A 47 -5.166 -7.400 2.642 1.00 0.00 N ATOM 702 CA ALA A 47 -4.806 -7.811 1.296 1.00 0.00 C ATOM 703 C ALA A 47 -6.079 -8.114 0.502 1.00 0.00 C ATOM 704 O ALA A 47 -6.782 -9.079 0.796 1.00 0.00 O ATOM 705 CB ALA A 47 -3.861 -9.012 1.364 1.00 0.00 C ATOM 0 H ALA A 47 -5.540 -8.146 3.229 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.278 -7.010 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.591 -9.320 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.960 -8.736 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.357 -9.837 1.875 1.00 0.00 H new ATOM 711 N CYS A 48 -6.335 -7.271 -0.488 1.00 0.00 N ATOM 712 CA CYS A 48 -7.510 -7.437 -1.326 1.00 0.00 C ATOM 713 C CYS A 48 -7.251 -6.735 -2.660 1.00 0.00 C ATOM 714 O CYS A 48 -6.713 -5.629 -2.690 1.00 0.00 O ATOM 715 CB CYS A 48 -8.773 -6.911 -0.640 1.00 0.00 C ATOM 716 SG CYS A 48 -9.984 -8.267 -0.434 1.00 0.00 S ATOM 0 H CYS A 48 -5.749 -6.471 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.687 -8.498 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.519 -6.488 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.211 -6.108 -1.233 1.00 0.00 H new ATOM 0 HG CYS A 48 -11.051 -7.810 0.151 1.00 0.00 H new ATOM 722 N GLU A 49 -7.648 -7.406 -3.732 1.00 0.00 N ATOM 723 CA GLU A 49 -7.465 -6.860 -5.066 1.00 0.00 C ATOM 724 C GLU A 49 -7.974 -5.418 -5.125 1.00 0.00 C ATOM 725 O GLU A 49 -7.270 -4.526 -5.594 1.00 0.00 O ATOM 726 CB GLU A 49 -8.161 -7.730 -6.114 1.00 0.00 C ATOM 727 CG GLU A 49 -7.143 -8.546 -6.914 1.00 0.00 C ATOM 728 CD GLU A 49 -7.599 -9.999 -7.061 1.00 0.00 C ATOM 729 OE1 GLU A 49 -7.609 -10.698 -6.025 1.00 0.00 O ATOM 730 OE2 GLU A 49 -7.926 -10.378 -8.207 1.00 0.00 O ATOM 0 H GLU A 49 -8.095 -8.322 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.399 -6.857 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.866 -8.401 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.738 -7.099 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.010 -8.101 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.174 -8.514 -6.416 1.00 0.00 H new ATOM 737 N ASN A 50 -9.194 -5.235 -4.640 1.00 0.00 N ATOM 738 CA ASN A 50 -9.806 -3.918 -4.631 1.00 0.00 C ATOM 739 C ASN A 50 -9.673 -3.289 -6.020 1.00 0.00 C ATOM 740 O ASN A 50 -9.616 -2.067 -6.149 1.00 0.00 O ATOM 741 CB ASN A 50 -9.113 -2.996 -3.626 1.00 0.00 C ATOM 742 CG ASN A 50 -9.611 -3.260 -2.205 1.00 0.00 C ATOM 743 OD1 ASN A 50 -10.789 -3.461 -1.959 1.00 0.00 O ATOM 744 ND2 ASN A 50 -8.651 -3.250 -1.284 1.00 0.00 N ATOM 0 H ASN A 50 -9.775 -5.978 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.853 -4.034 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.035 -3.148 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.300 -1.956 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.882 -3.417 -0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.684 -3.075 -1.557 1.00 0.00 H new ATOM 751 N LYS A 51 -9.626 -4.152 -7.024 1.00 0.00 N ATOM 752 CA LYS A 51 -9.501 -3.697 -8.398 1.00 0.00 C ATOM 753 C LYS A 51 -8.069 -3.217 -8.642 1.00 0.00 C ATOM 754 O LYS A 51 -7.850 -2.258 -9.382 1.00 0.00 O ATOM 755 CB LYS A 51 -10.565 -2.644 -8.712 1.00 0.00 C ATOM 756 CG LYS A 51 -11.951 -3.114 -8.264 1.00 0.00 C ATOM 757 CD LYS A 51 -12.926 -1.938 -8.176 1.00 0.00 C ATOM 758 CE LYS A 51 -13.687 -1.956 -6.850 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.849 -2.869 -6.931 1.00 0.00 N ATOM 0 H LYS A 51 -9.672 -5.165 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.685 -4.518 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.315 -1.709 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.575 -2.440 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.332 -3.855 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.877 -3.603 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.380 -1.000 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.632 -1.983 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.022 -2.274 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.025 -0.949 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.354 -2.869 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.491 -2.548 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.520 -3.832 -7.144 1.00 0.00 H new ATOM 773 N SER A 52 -7.131 -3.904 -8.007 1.00 0.00 N ATOM 774 CA SER A 52 -5.727 -3.559 -8.147 1.00 0.00 C ATOM 775 C SER A 52 -5.374 -2.407 -7.203 1.00 0.00 C ATOM 776 O SER A 52 -4.770 -1.421 -7.621 1.00 0.00 O ATOM 777 CB SER A 52 -5.393 -3.183 -9.591 1.00 0.00 C ATOM 778 OG SER A 52 -4.207 -3.826 -10.050 1.00 0.00 O ATOM 0 H SER A 52 -7.316 -4.698 -7.394 1.00 0.00 H new ATOM 0 HA SER A 52 -5.133 -4.433 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.227 -3.455 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.271 -2.102 -9.665 1.00 0.00 H new ATOM 0 HG SER A 52 -4.029 -3.561 -10.977 1.00 0.00 H new ATOM 784 N TRP A 53 -5.767 -2.571 -5.948 1.00 0.00 N ATOM 785 CA TRP A 53 -5.500 -1.557 -4.942 1.00 0.00 C ATOM 786 C TRP A 53 -5.125 -2.269 -3.641 1.00 0.00 C ATOM 787 O TRP A 53 -5.436 -3.446 -3.461 1.00 0.00 O ATOM 788 CB TRP A 53 -6.694 -0.613 -4.785 1.00 0.00 C ATOM 789 CG TRP A 53 -6.970 0.252 -6.017 1.00 0.00 C ATOM 790 CD1 TRP A 53 -7.397 -0.144 -7.224 1.00 0.00 C ATOM 791 CD2 TRP A 53 -6.820 1.684 -6.112 1.00 0.00 C ATOM 792 NE1 TRP A 53 -7.533 0.924 -8.087 1.00 0.00 N ATOM 793 CE2 TRP A 53 -7.171 2.071 -7.390 1.00 0.00 C ATOM 794 CE3 TRP A 53 -6.403 2.621 -5.152 1.00 0.00 C ATOM 795 CZ2 TRP A 53 -7.139 3.401 -7.823 1.00 0.00 C ATOM 796 CZ3 TRP A 53 -6.377 3.947 -5.601 1.00 0.00 C ATOM 797 CH2 TRP A 53 -6.726 4.353 -6.883 1.00 0.00 C ATOM 0 H TRP A 53 -6.268 -3.391 -5.605 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.666 -0.923 -5.244 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.583 -1.202 -4.561 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.519 0.038 -3.928 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.608 -1.170 -7.488 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.842 0.880 -9.058 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.124 2.341 -4.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.418 3.679 -8.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.064 4.708 -4.901 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.679 5.398 -7.153 1.00 0.00 H new ATOM 808 N TYR A 54 -4.463 -1.526 -2.767 1.00 0.00 N ATOM 809 CA TYR A 54 -4.043 -2.072 -1.487 1.00 0.00 C ATOM 810 C TYR A 54 -4.421 -1.133 -0.340 1.00 0.00 C ATOM 811 O TYR A 54 -4.068 0.045 -0.355 1.00 0.00 O ATOM 812 CB TYR A 54 -2.518 -2.184 -1.557 1.00 0.00 C ATOM 813 CG TYR A 54 -2.018 -3.505 -2.144 1.00 0.00 C ATOM 814 CD1 TYR A 54 -1.810 -4.592 -1.320 1.00 0.00 C ATOM 815 CD2 TYR A 54 -1.775 -3.610 -3.499 1.00 0.00 C ATOM 816 CE1 TYR A 54 -1.339 -5.836 -1.873 1.00 0.00 C ATOM 817 CE2 TYR A 54 -1.304 -4.854 -4.052 1.00 0.00 C ATOM 818 CZ TYR A 54 -1.109 -5.905 -3.211 1.00 0.00 C ATOM 819 OH TYR A 54 -0.665 -7.080 -3.733 1.00 0.00 O ATOM 0 H TYR A 54 -4.207 -0.551 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.525 -3.032 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.131 -1.361 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.109 -2.066 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.000 -4.510 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.938 -2.760 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.172 -6.694 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.110 -4.950 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.757 -7.060 -4.709 1.00 0.00 H new ATOM 829 N ARG A 55 -5.135 -1.690 0.627 1.00 0.00 N ATOM 830 CA ARG A 55 -5.565 -0.918 1.780 1.00 0.00 C ATOM 831 C ARG A 55 -4.422 -0.789 2.789 1.00 0.00 C ATOM 832 O ARG A 55 -4.080 -1.753 3.472 1.00 0.00 O ATOM 833 CB ARG A 55 -6.768 -1.571 2.464 1.00 0.00 C ATOM 834 CG ARG A 55 -7.296 -0.693 3.600 1.00 0.00 C ATOM 835 CD ARG A 55 -8.763 -1.009 3.900 1.00 0.00 C ATOM 836 NE ARG A 55 -9.621 0.118 3.471 1.00 0.00 N ATOM 837 CZ ARG A 55 -10.960 0.076 3.449 1.00 0.00 C ATOM 838 NH1 ARG A 55 -11.602 -1.036 3.831 1.00 0.00 N ATOM 839 NH2 ARG A 55 -11.657 1.147 3.045 1.00 0.00 N ATOM 0 H ARG A 55 -5.427 -2.667 0.636 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.856 0.071 1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.559 -1.741 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.482 -2.547 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.696 -0.851 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.194 0.358 3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.060 -1.921 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.894 -1.191 4.967 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.165 0.980 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.071 -1.851 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.621 -1.068 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.168 1.994 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.676 1.115 3.028 1.00 0.00 H new ATOM 853 N VAL A 56 -3.862 0.411 2.851 1.00 0.00 N ATOM 854 CA VAL A 56 -2.765 0.678 3.765 1.00 0.00 C ATOM 855 C VAL A 56 -3.150 1.832 4.694 1.00 0.00 C ATOM 856 O VAL A 56 -4.189 2.463 4.507 1.00 0.00 O ATOM 857 CB VAL A 56 -1.481 0.948 2.977 1.00 0.00 C ATOM 858 CG1 VAL A 56 -1.188 -0.193 2.000 1.00 0.00 C ATOM 859 CG2 VAL A 56 -1.558 2.290 2.247 1.00 0.00 C ATOM 0 H VAL A 56 -4.148 1.209 2.283 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.569 -0.192 4.391 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.656 1.001 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.271 0.023 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.069 -1.124 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.015 -0.292 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.633 2.457 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.398 2.279 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.698 3.091 2.973 1.00 0.00 H new ATOM 869 N LYS A 57 -2.291 2.073 5.673 1.00 0.00 N ATOM 870 CA LYS A 57 -2.528 3.139 6.631 1.00 0.00 C ATOM 871 C LYS A 57 -1.428 4.194 6.496 1.00 0.00 C ATOM 872 O LYS A 57 -0.245 3.882 6.626 1.00 0.00 O ATOM 873 CB LYS A 57 -2.663 2.570 8.045 1.00 0.00 C ATOM 874 CG LYS A 57 -3.010 3.671 9.048 1.00 0.00 C ATOM 875 CD LYS A 57 -2.138 3.567 10.301 1.00 0.00 C ATOM 876 CE LYS A 57 -2.258 4.827 11.160 1.00 0.00 C ATOM 877 NZ LYS A 57 -3.164 4.588 12.306 1.00 0.00 N ATOM 0 H LYS A 57 -1.429 1.548 5.824 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.475 3.636 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.437 1.803 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.730 2.088 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.871 4.647 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.062 3.597 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.436 2.696 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.098 3.417 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.273 5.122 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.636 5.652 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.235 5.453 12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.107 4.328 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.787 3.815 12.891 1.00 0.00 H new ATOM 891 N HIS A 58 -1.856 5.421 6.237 1.00 0.00 N ATOM 892 CA HIS A 58 -0.922 6.523 6.082 1.00 0.00 C ATOM 893 C HIS A 58 -0.356 6.911 7.450 1.00 0.00 C ATOM 894 O HIS A 58 -1.106 7.262 8.359 1.00 0.00 O ATOM 895 CB HIS A 58 -1.584 7.698 5.360 1.00 0.00 C ATOM 896 CG HIS A 58 -0.625 8.541 4.553 1.00 0.00 C ATOM 897 ND1 HIS A 58 0.241 9.453 5.132 1.00 0.00 N ATOM 898 CD2 HIS A 58 -0.404 8.600 3.209 1.00 0.00 C ATOM 899 CE1 HIS A 58 0.945 10.030 4.169 1.00 0.00 C ATOM 900 NE2 HIS A 58 0.543 9.501 2.978 1.00 0.00 N ATOM 0 H HIS A 58 -2.838 5.676 6.131 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.086 6.211 5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.360 7.314 4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.078 8.332 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.913 8.013 2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.704 10.786 4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 58 0.910 9.756 2.061 1.00 0.00 H new ATOM 908 N HIS A 59 0.963 6.833 7.552 1.00 0.00 N ATOM 909 CA HIS A 59 1.638 7.172 8.793 1.00 0.00 C ATOM 910 C HIS A 59 1.326 8.622 9.168 1.00 0.00 C ATOM 911 O HIS A 59 0.639 8.877 10.155 1.00 0.00 O ATOM 912 CB HIS A 59 3.140 6.897 8.686 1.00 0.00 C ATOM 913 CG HIS A 59 3.882 7.024 9.996 1.00 0.00 C ATOM 914 ND1 HIS A 59 4.306 8.240 10.502 1.00 0.00 N ATOM 915 CD2 HIS A 59 4.269 6.075 10.896 1.00 0.00 C ATOM 916 CE1 HIS A 59 4.920 8.021 11.655 1.00 0.00 C ATOM 917 NE2 HIS A 59 4.897 6.678 11.897 1.00 0.00 N ATOM 0 H HIS A 59 1.582 6.540 6.796 1.00 0.00 H new ATOM 0 HA HIS A 59 1.267 6.538 9.598 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.288 5.891 8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.575 7.589 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.094 5.013 10.809 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.361 8.773 12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.297 6.214 12.713 1.00 0.00 H new ATOM 925 N THR A 60 1.847 9.534 8.360 1.00 0.00 N ATOM 926 CA THR A 60 1.633 10.952 8.595 1.00 0.00 C ATOM 927 C THR A 60 0.138 11.252 8.713 1.00 0.00 C ATOM 928 O THR A 60 -0.333 11.672 9.769 1.00 0.00 O ATOM 929 CB THR A 60 2.322 11.727 7.470 1.00 0.00 C ATOM 930 OG1 THR A 60 3.712 11.530 7.713 1.00 0.00 O ATOM 931 CG2 THR A 60 2.130 13.239 7.598 1.00 0.00 C ATOM 0 H THR A 60 2.417 9.318 7.542 1.00 0.00 H new ATOM 0 HA THR A 60 2.072 11.267 9.542 1.00 0.00 H new ATOM 0 HB THR A 60 1.933 11.393 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.233 11.998 7.028 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.639 13.741 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.066 13.475 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.548 13.580 8.545 1.00 0.00 H new ATOM 939 N SER A 61 -0.568 11.026 7.615 1.00 0.00 N ATOM 940 CA SER A 61 -2.000 11.268 7.582 1.00 0.00 C ATOM 941 C SER A 61 -2.678 10.553 8.752 1.00 0.00 C ATOM 942 O SER A 61 -3.247 11.197 9.632 1.00 0.00 O ATOM 943 CB SER A 61 -2.606 10.807 6.255 1.00 0.00 C ATOM 944 OG SER A 61 -3.125 11.897 5.498 1.00 0.00 O ATOM 0 H SER A 61 -0.174 10.678 6.741 1.00 0.00 H new ATOM 0 HA SER A 61 -2.168 12.341 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.846 10.289 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.403 10.089 6.450 1.00 0.00 H new ATOM 0 HG SER A 61 -3.356 11.589 4.597 1.00 0.00 H new ATOM 950 N GLY A 62 -2.596 9.231 8.724 1.00 0.00 N ATOM 951 CA GLY A 62 -3.194 8.421 9.772 1.00 0.00 C ATOM 952 C GLY A 62 -4.585 7.934 9.361 1.00 0.00 C ATOM 953 O GLY A 62 -5.377 7.520 10.207 1.00 0.00 O ATOM 0 H GLY A 62 -2.124 8.700 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.553 7.565 9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.265 9.003 10.691 1.00 0.00 H new ATOM 957 N GLN A 63 -4.841 8.000 8.063 1.00 0.00 N ATOM 958 CA GLN A 63 -6.122 7.571 7.529 1.00 0.00 C ATOM 959 C GLN A 63 -5.982 6.211 6.841 1.00 0.00 C ATOM 960 O GLN A 63 -4.893 5.642 6.798 1.00 0.00 O ATOM 961 CB GLN A 63 -6.694 8.615 6.569 1.00 0.00 C ATOM 962 CG GLN A 63 -6.473 10.031 7.104 1.00 0.00 C ATOM 963 CD GLN A 63 -6.711 11.074 6.010 1.00 0.00 C ATOM 964 OE1 GLN A 63 -7.788 11.187 5.447 1.00 0.00 O ATOM 965 NE2 GLN A 63 -5.649 11.828 5.740 1.00 0.00 N ATOM 0 H GLN A 63 -4.182 8.345 7.365 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.822 7.467 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.221 8.514 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.760 8.438 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.146 10.217 7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.456 10.125 7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.777 11.681 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.707 12.553 5.025 1.00 0.00 H new ATOM 974 N GLU A 64 -7.101 5.730 6.319 1.00 0.00 N ATOM 975 CA GLU A 64 -7.117 4.448 5.635 1.00 0.00 C ATOM 976 C GLU A 64 -7.828 4.575 4.286 1.00 0.00 C ATOM 977 O GLU A 64 -9.031 4.827 4.236 1.00 0.00 O ATOM 978 CB GLU A 64 -7.774 3.372 6.502 1.00 0.00 C ATOM 979 CG GLU A 64 -7.034 3.211 7.831 1.00 0.00 C ATOM 980 CD GLU A 64 -7.949 2.608 8.899 1.00 0.00 C ATOM 981 OE1 GLU A 64 -8.695 1.670 8.544 1.00 0.00 O ATOM 982 OE2 GLU A 64 -7.882 3.099 10.046 1.00 0.00 O ATOM 0 H GLU A 64 -8.003 6.205 6.356 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.087 4.142 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.814 3.637 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.779 2.422 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.162 2.572 7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.667 4.181 8.167 1.00 0.00 H new ATOM 989 N GLY A 65 -7.053 4.395 3.226 1.00 0.00 N ATOM 990 CA GLY A 65 -7.594 4.486 1.881 1.00 0.00 C ATOM 991 C GLY A 65 -6.871 3.527 0.933 1.00 0.00 C ATOM 992 O GLY A 65 -5.758 3.087 1.219 1.00 0.00 O ATOM 0 H GLY A 65 -6.056 4.187 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.659 4.253 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.496 5.508 1.514 1.00 0.00 H new ATOM 996 N LEU A 66 -7.533 3.230 -0.176 1.00 0.00 N ATOM 997 CA LEU A 66 -6.967 2.331 -1.167 1.00 0.00 C ATOM 998 C LEU A 66 -5.704 2.960 -1.759 1.00 0.00 C ATOM 999 O LEU A 66 -5.555 4.181 -1.757 1.00 0.00 O ATOM 1000 CB LEU A 66 -8.018 1.959 -2.215 1.00 0.00 C ATOM 1001 CG LEU A 66 -9.151 1.050 -1.735 1.00 0.00 C ATOM 1002 CD1 LEU A 66 -8.598 -0.220 -1.085 1.00 0.00 C ATOM 1003 CD2 LEU A 66 -10.102 1.804 -0.802 1.00 0.00 C ATOM 0 H LEU A 66 -8.456 3.596 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.667 1.392 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.456 2.878 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.514 1.469 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.731 0.740 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.424 -0.848 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.995 -0.767 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.980 0.049 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.898 1.135 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.551 2.163 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.536 2.652 -1.332 1.00 0.00 H new ATOM 1015 N LEU A 67 -4.827 2.098 -2.251 1.00 0.00 N ATOM 1016 CA LEU A 67 -3.582 2.554 -2.845 1.00 0.00 C ATOM 1017 C LEU A 67 -3.333 1.789 -4.147 1.00 0.00 C ATOM 1018 O LEU A 67 -3.520 0.575 -4.203 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.436 2.444 -1.838 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.464 3.625 -1.796 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -0.558 3.546 -0.566 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -0.661 3.721 -3.095 1.00 0.00 C ATOM 0 H LEU A 67 -4.954 1.086 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.648 3.611 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.864 2.316 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.869 1.540 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.045 4.543 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.123 4.397 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.168 3.564 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.018 2.621 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.022 4.569 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.090 2.804 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.342 3.859 -3.935 1.00 0.00 H new ATOM 1034 N ALA A 68 -2.913 2.532 -5.161 1.00 0.00 N ATOM 1035 CA ALA A 68 -2.636 1.939 -6.458 1.00 0.00 C ATOM 1036 C ALA A 68 -1.623 0.805 -6.290 1.00 0.00 C ATOM 1037 O ALA A 68 -0.468 1.046 -5.944 1.00 0.00 O ATOM 1038 CB ALA A 68 -2.144 3.022 -7.420 1.00 0.00 C ATOM 0 H ALA A 68 -2.758 3.539 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.543 1.511 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.936 2.577 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.911 3.789 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.234 3.473 -7.025 1.00 0.00 H new ATOM 1044 N ALA A 69 -2.093 -0.408 -6.542 1.00 0.00 N ATOM 1045 CA ALA A 69 -1.242 -1.580 -6.423 1.00 0.00 C ATOM 1046 C ALA A 69 -0.056 -1.444 -7.380 1.00 0.00 C ATOM 1047 O ALA A 69 0.965 -2.107 -7.207 1.00 0.00 O ATOM 1048 CB ALA A 69 -2.068 -2.840 -6.693 1.00 0.00 C ATOM 0 H ALA A 69 -3.052 -0.605 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.842 -1.663 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.430 -3.719 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.879 -2.905 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.484 -2.794 -7.700 1.00 0.00 H new ATOM 1054 N GLY A 70 -0.231 -0.579 -8.368 1.00 0.00 N ATOM 1055 CA GLY A 70 0.812 -0.347 -9.353 1.00 0.00 C ATOM 1056 C GLY A 70 1.528 0.979 -9.092 1.00 0.00 C ATOM 1057 O GLY A 70 1.908 1.679 -10.029 1.00 0.00 O ATOM 0 H GLY A 70 -1.079 -0.030 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.532 -1.165 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.378 -0.339 -10.353 1.00 0.00 H new ATOM 1061 N ALA A 71 1.690 1.286 -7.813 1.00 0.00 N ATOM 1062 CA ALA A 71 2.353 2.516 -7.416 1.00 0.00 C ATOM 1063 C ALA A 71 2.967 2.334 -6.027 1.00 0.00 C ATOM 1064 O ALA A 71 3.151 3.305 -5.293 1.00 0.00 O ATOM 1065 CB ALA A 71 1.354 3.674 -7.465 1.00 0.00 C ATOM 0 H ALA A 71 1.373 0.703 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 71 3.163 2.755 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.852 4.597 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.970 3.780 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.528 3.471 -6.783 1.00 0.00 H new ATOM 1071 N LEU A 72 3.268 1.084 -5.706 1.00 0.00 N ATOM 1072 CA LEU A 72 3.857 0.763 -4.418 1.00 0.00 C ATOM 1073 C LEU A 72 5.187 0.039 -4.637 1.00 0.00 C ATOM 1074 O LEU A 72 5.329 -0.734 -5.583 1.00 0.00 O ATOM 1075 CB LEU A 72 2.865 -0.020 -3.555 1.00 0.00 C ATOM 1076 CG LEU A 72 1.527 0.669 -3.278 1.00 0.00 C ATOM 1077 CD1 LEU A 72 0.445 -0.355 -2.932 1.00 0.00 C ATOM 1078 CD2 LEU A 72 1.675 1.737 -2.193 1.00 0.00 C ATOM 0 H LEU A 72 3.115 0.281 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 72 4.077 1.674 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.665 -0.975 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.341 -0.242 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 72 1.209 1.178 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.496 0.161 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.317 -1.045 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.742 -0.912 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.710 2.211 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.027 1.273 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.394 2.489 -2.518 1.00 0.00 H new ATOM 1090 N ARG A 73 6.128 0.314 -3.745 1.00 0.00 N ATOM 1091 CA ARG A 73 7.441 -0.302 -3.829 1.00 0.00 C ATOM 1092 C ARG A 73 7.914 -0.736 -2.440 1.00 0.00 C ATOM 1093 O ARG A 73 7.286 -0.404 -1.435 1.00 0.00 O ATOM 1094 CB ARG A 73 8.465 0.664 -4.430 1.00 0.00 C ATOM 1095 CG ARG A 73 8.586 1.931 -3.582 1.00 0.00 C ATOM 1096 CD ARG A 73 9.960 2.014 -2.914 1.00 0.00 C ATOM 1097 NE ARG A 73 10.349 3.430 -2.729 1.00 0.00 N ATOM 1098 CZ ARG A 73 11.474 3.827 -2.120 1.00 0.00 C ATOM 1099 NH1 ARG A 73 12.330 2.918 -1.634 1.00 0.00 N ATOM 1100 NH2 ARG A 73 11.745 5.134 -1.997 1.00 0.00 N ATOM 0 H ARG A 73 6.007 0.955 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 73 7.357 -1.174 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.436 0.174 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.169 0.928 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.429 2.809 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.806 1.939 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.936 1.506 -1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.702 1.501 -3.526 1.00 0.00 H new ATOM 0 HE ARG A 73 9.721 4.149 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.125 1.923 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.187 3.221 -1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.094 5.827 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.602 5.436 -1.533 1.00 0.00 H new ATOM 1114 N GLU A 74 9.016 -1.470 -2.428 1.00 0.00 N ATOM 1115 CA GLU A 74 9.580 -1.953 -1.179 1.00 0.00 C ATOM 1116 C GLU A 74 10.583 -0.940 -0.623 1.00 0.00 C ATOM 1117 O GLU A 74 11.685 -0.798 -1.151 1.00 0.00 O ATOM 1118 CB GLU A 74 10.232 -3.324 -1.365 1.00 0.00 C ATOM 1119 CG GLU A 74 10.197 -4.129 -0.064 1.00 0.00 C ATOM 1120 CD GLU A 74 11.417 -5.046 0.046 1.00 0.00 C ATOM 1121 OE1 GLU A 74 12.448 -4.559 0.560 1.00 0.00 O ATOM 1122 OE2 GLU A 74 11.292 -6.212 -0.385 1.00 0.00 O ATOM 0 H GLU A 74 9.534 -1.742 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 74 8.771 -2.067 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.714 -3.873 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.264 -3.198 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.170 -3.449 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.285 -4.725 -0.025 1.00 0.00 H new ATOM 1129 N ARG A 75 10.166 -0.262 0.436 1.00 0.00 N ATOM 1130 CA ARG A 75 11.014 0.733 1.070 1.00 0.00 C ATOM 1131 C ARG A 75 12.465 0.248 1.107 1.00 0.00 C ATOM 1132 O ARG A 75 13.352 0.891 0.548 1.00 0.00 O ATOM 1133 CB ARG A 75 10.546 1.029 2.496 1.00 0.00 C ATOM 1134 CG ARG A 75 11.343 2.184 3.106 1.00 0.00 C ATOM 1135 CD ARG A 75 10.951 2.408 4.568 1.00 0.00 C ATOM 1136 NE ARG A 75 11.887 3.362 5.203 1.00 0.00 N ATOM 1137 CZ ARG A 75 11.783 4.694 5.104 1.00 0.00 C ATOM 1138 NH1 ARG A 75 10.784 5.238 4.397 1.00 0.00 N ATOM 1139 NH2 ARG A 75 12.679 5.483 5.714 1.00 0.00 N ATOM 0 H ARG A 75 9.251 -0.382 0.871 1.00 0.00 H new ATOM 0 HA ARG A 75 10.948 1.648 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.485 1.278 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.661 0.138 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.410 1.969 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.166 3.095 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.933 2.792 4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.964 1.460 5.106 1.00 0.00 H new ATOM 0 HE ARG A 75 12.659 2.982 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.102 4.638 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.706 6.252 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.440 5.069 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.600 6.497 5.639 1.00 0.00 H new ATOM 1153 N SER A 76 12.661 -0.882 1.770 1.00 0.00 N ATOM 1154 CA SER A 76 13.988 -1.460 1.888 1.00 0.00 C ATOM 1155 C SER A 76 14.603 -1.644 0.499 1.00 0.00 C ATOM 1156 O SER A 76 15.732 -1.221 0.255 1.00 0.00 O ATOM 1157 CB SER A 76 13.943 -2.797 2.629 1.00 0.00 C ATOM 1158 OG SER A 76 14.439 -2.686 3.961 1.00 0.00 O ATOM 0 H SER A 76 11.922 -1.413 2.231 1.00 0.00 H new ATOM 0 HA SER A 76 14.609 -0.776 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.917 -3.164 2.654 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.532 -3.534 2.083 1.00 0.00 H new ATOM 0 HG SER A 76 14.392 -3.560 4.401 1.00 0.00 H new ATOM 1164 N GLY A 77 13.834 -2.276 -0.375 1.00 0.00 N ATOM 1165 CA GLY A 77 14.289 -2.521 -1.733 1.00 0.00 C ATOM 1166 C GLY A 77 15.688 -3.140 -1.739 1.00 0.00 C ATOM 1167 O GLY A 77 16.113 -3.731 -0.748 1.00 0.00 O ATOM 0 H GLY A 77 12.898 -2.626 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.591 -3.187 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.299 -1.585 -2.291 1.00 0.00 H new ATOM 1171 N PRO A 78 16.383 -2.980 -2.897 1.00 0.00 N ATOM 1172 CA PRO A 78 17.725 -3.517 -3.045 1.00 0.00 C ATOM 1173 C PRO A 78 18.742 -2.670 -2.278 1.00 0.00 C ATOM 1174 O PRO A 78 18.463 -1.523 -1.929 1.00 0.00 O ATOM 1175 CB PRO A 78 17.978 -3.535 -4.544 1.00 0.00 C ATOM 1176 CG PRO A 78 16.961 -2.582 -5.150 1.00 0.00 C ATOM 1177 CD PRO A 78 15.911 -2.286 -4.092 1.00 0.00 C ATOM 0 HA PRO A 78 17.826 -4.518 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.995 -3.217 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 78 17.860 -4.541 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 78 17.446 -1.661 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.500 -3.026 -6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 78 15.817 -1.214 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.929 -2.646 -4.397 1.00 0.00 H new ATOM 1185 N SER A 79 19.900 -3.267 -2.036 1.00 0.00 N ATOM 1186 CA SER A 79 20.959 -2.582 -1.316 1.00 0.00 C ATOM 1187 C SER A 79 22.146 -2.328 -2.248 1.00 0.00 C ATOM 1188 O SER A 79 22.558 -1.184 -2.436 1.00 0.00 O ATOM 1189 CB SER A 79 21.407 -3.389 -0.096 1.00 0.00 C ATOM 1190 OG SER A 79 22.393 -2.699 0.668 1.00 0.00 O ATOM 0 H SER A 79 20.128 -4.218 -2.326 1.00 0.00 H new ATOM 0 HA SER A 79 20.570 -1.627 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.544 -3.602 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.808 -4.348 -0.423 1.00 0.00 H new ATOM 0 HG SER A 79 22.652 -3.246 1.439 1.00 0.00 H new ATOM 1196 N SER A 80 22.661 -3.413 -2.808 1.00 0.00 N ATOM 1197 CA SER A 80 23.792 -3.322 -3.715 1.00 0.00 C ATOM 1198 C SER A 80 23.300 -3.057 -5.140 1.00 0.00 C ATOM 1199 O SER A 80 22.435 -3.771 -5.645 1.00 0.00 O ATOM 1200 CB SER A 80 24.635 -4.598 -3.674 1.00 0.00 C ATOM 1201 OG SER A 80 26.025 -4.315 -3.537 1.00 0.00 O ATOM 0 H SER A 80 22.315 -4.360 -2.651 1.00 0.00 H new ATOM 0 HA SER A 80 24.422 -2.492 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 80 24.308 -5.222 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.470 -5.171 -4.586 1.00 0.00 H new ATOM 0 HG SER A 80 26.529 -5.155 -3.513 1.00 0.00 H new ATOM 1207 N GLY A 81 23.871 -2.027 -5.747 1.00 0.00 N ATOM 1208 CA GLY A 81 23.501 -1.659 -7.103 1.00 0.00 C ATOM 1209 C GLY A 81 24.471 -2.265 -8.120 1.00 0.00 C ATOM 1210 O GLY A 81 24.963 -1.568 -9.006 1.00 0.00 O ATOM 0 H GLY A 81 24.587 -1.436 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 81 22.488 -2.001 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 81 23.497 -0.573 -7.201 1.00 0.00 H new TER 1214 GLY A 81