USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 0.118 USER MOD Single : A 3 SER OG : rot 180:sc= -0.314 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -61:sc= 0.688 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.13 K(o=0.13,f=-2.4!) USER MOD Single : A 28 TYR OH : rot 58:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -130:sc= -2.45 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.342 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.9) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.021 21.038 -2.486 1.00 0.00 N ATOM 2 CA GLY A 1 32.272 19.865 -2.073 1.00 0.00 C ATOM 3 C GLY A 1 30.786 20.003 -2.340 1.00 0.00 C ATOM 4 O GLY A 1 30.264 21.114 -2.424 1.00 0.00 O ATOM 0 H1 GLY A 1 33.507 20.841 -3.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.370 21.839 -2.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.723 21.276 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.653 18.990 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.432 19.691 -1.009 1.00 0.00 H new ATOM 8 N SER A 2 30.103 18.870 -2.476 1.00 0.00 N ATOM 9 CA SER A 2 28.669 18.869 -2.740 1.00 0.00 C ATOM 10 C SER A 2 28.115 17.448 -2.729 1.00 0.00 C ATOM 11 O SER A 2 28.864 16.479 -2.604 1.00 0.00 O ATOM 12 CB SER A 2 28.377 19.531 -4.089 1.00 0.00 C ATOM 13 OG SER A 2 27.720 20.774 -3.915 1.00 0.00 O ATOM 0 H SER A 2 30.520 17.942 -2.408 1.00 0.00 H new ATOM 0 HA SER A 2 28.179 19.438 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.309 19.682 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.757 18.870 -4.695 1.00 0.00 H new ATOM 0 HG SER A 2 28.271 21.360 -3.355 1.00 0.00 H new ATOM 19 N SER A 3 26.798 17.332 -2.859 1.00 0.00 N ATOM 20 CA SER A 3 26.142 16.029 -2.860 1.00 0.00 C ATOM 21 C SER A 3 24.832 16.081 -3.641 1.00 0.00 C ATOM 22 O SER A 3 24.190 17.127 -3.730 1.00 0.00 O ATOM 23 CB SER A 3 25.875 15.569 -1.425 1.00 0.00 C ATOM 24 OG SER A 3 26.806 16.142 -0.524 1.00 0.00 O ATOM 0 H SER A 3 26.164 18.124 -2.965 1.00 0.00 H new ATOM 0 HA SER A 3 26.807 15.315 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.863 15.848 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.934 14.482 -1.371 1.00 0.00 H new ATOM 0 HG SER A 3 26.613 15.834 0.386 1.00 0.00 H new ATOM 30 N GLY A 4 24.442 14.943 -4.207 1.00 0.00 N ATOM 31 CA GLY A 4 23.212 14.879 -4.974 1.00 0.00 C ATOM 32 C GLY A 4 22.371 13.668 -4.621 1.00 0.00 C ATOM 33 O GLY A 4 22.666 12.552 -5.048 1.00 0.00 O ATOM 0 H GLY A 4 24.956 14.064 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.631 15.784 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.451 14.854 -6.037 1.00 0.00 H new ATOM 37 N SER A 5 21.320 13.888 -3.837 1.00 0.00 N ATOM 38 CA SER A 5 20.437 12.805 -3.421 1.00 0.00 C ATOM 39 C SER A 5 19.824 12.108 -4.633 1.00 0.00 C ATOM 40 O SER A 5 19.887 10.885 -4.757 1.00 0.00 O ATOM 41 CB SER A 5 19.328 13.342 -2.513 1.00 0.00 C ATOM 42 OG SER A 5 19.757 13.399 -1.164 1.00 0.00 O ATOM 0 H SER A 5 21.060 14.806 -3.477 1.00 0.00 H new ATOM 0 HA SER A 5 21.031 12.078 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.031 14.336 -2.846 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.448 12.703 -2.592 1.00 0.00 H new ATOM 0 HG SER A 5 19.032 13.747 -0.604 1.00 0.00 H new ATOM 48 N SER A 6 19.232 12.897 -5.524 1.00 0.00 N ATOM 49 CA SER A 6 18.604 12.357 -6.724 1.00 0.00 C ATOM 50 C SER A 6 17.450 11.428 -6.363 1.00 0.00 C ATOM 51 O SER A 6 17.200 11.157 -5.189 1.00 0.00 O ATOM 52 CB SER A 6 19.634 11.604 -7.569 1.00 0.00 C ATOM 53 OG SER A 6 19.510 10.203 -7.396 1.00 0.00 O ATOM 0 H SER A 6 19.174 13.912 -5.438 1.00 0.00 H new ATOM 0 HA SER A 6 18.208 13.191 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.501 11.857 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.639 11.920 -7.290 1.00 0.00 H new ATOM 0 HG SER A 6 19.662 9.975 -6.455 1.00 0.00 H new ATOM 59 N GLY A 7 16.748 10.941 -7.382 1.00 0.00 N ATOM 60 CA GLY A 7 15.628 10.048 -7.152 1.00 0.00 C ATOM 61 C GLY A 7 14.960 9.612 -8.441 1.00 0.00 C ATOM 62 O GLY A 7 13.816 9.977 -8.711 1.00 0.00 O ATOM 0 H GLY A 7 16.935 11.149 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.974 9.168 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.895 10.545 -6.517 1.00 0.00 H new ATOM 66 N PHE A 8 15.677 8.829 -9.241 1.00 0.00 N ATOM 67 CA PHE A 8 15.148 8.344 -10.511 1.00 0.00 C ATOM 68 C PHE A 8 14.457 6.995 -10.333 1.00 0.00 C ATOM 69 O PHE A 8 14.738 6.263 -9.385 1.00 0.00 O ATOM 70 CB PHE A 8 16.271 8.223 -11.543 1.00 0.00 C ATOM 71 CG PHE A 8 16.819 9.547 -11.991 1.00 0.00 C ATOM 72 CD1 PHE A 8 17.772 10.210 -11.234 1.00 0.00 C ATOM 73 CD2 PHE A 8 16.382 10.130 -13.170 1.00 0.00 C ATOM 74 CE1 PHE A 8 18.277 11.429 -11.644 1.00 0.00 C ATOM 75 CE2 PHE A 8 16.884 11.349 -13.585 1.00 0.00 C ATOM 76 CZ PHE A 8 17.834 11.999 -12.822 1.00 0.00 C ATOM 0 H PHE A 8 16.625 8.517 -9.032 1.00 0.00 H new ATOM 0 HA PHE A 8 14.412 9.065 -10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.080 7.629 -11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.898 7.680 -12.412 1.00 0.00 H new ATOM 0 HD1 PHE A 8 18.124 9.769 -10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.640 9.626 -13.772 1.00 0.00 H new ATOM 0 HE1 PHE A 8 19.018 11.936 -11.044 1.00 0.00 H new ATOM 0 HE2 PHE A 8 16.534 11.793 -14.505 1.00 0.00 H new ATOM 0 HZ PHE A 8 18.230 12.950 -13.145 1.00 0.00 H new ATOM 86 N SER A 9 13.552 6.675 -11.252 1.00 0.00 N ATOM 87 CA SER A 9 12.817 5.417 -11.195 1.00 0.00 C ATOM 88 C SER A 9 11.980 5.333 -9.922 1.00 0.00 C ATOM 89 O SER A 9 11.896 6.293 -9.156 1.00 0.00 O ATOM 90 CB SER A 9 13.784 4.233 -11.262 1.00 0.00 C ATOM 91 OG SER A 9 13.166 3.102 -11.850 1.00 0.00 O ATOM 0 H SER A 9 13.310 7.269 -12.045 1.00 0.00 H new ATOM 0 HA SER A 9 12.146 5.378 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.665 4.511 -11.840 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.127 3.983 -10.258 1.00 0.00 H new ATOM 0 HG SER A 9 13.805 2.360 -11.883 1.00 0.00 H new ATOM 97 N LYS A 10 11.362 4.178 -9.703 1.00 0.00 N ATOM 98 CA LYS A 10 10.532 3.966 -8.523 1.00 0.00 C ATOM 99 C LYS A 10 10.744 2.567 -7.953 1.00 0.00 C ATOM 100 O LYS A 10 10.517 1.566 -8.634 1.00 0.00 O ATOM 101 CB LYS A 10 9.055 4.168 -8.869 1.00 0.00 C ATOM 102 CG LYS A 10 8.607 3.396 -10.098 1.00 0.00 C ATOM 103 CD LYS A 10 7.185 3.755 -10.495 1.00 0.00 C ATOM 104 CE LYS A 10 6.552 2.666 -11.347 1.00 0.00 C ATOM 105 NZ LYS A 10 6.716 2.934 -12.802 1.00 0.00 N ATOM 0 H LYS A 10 11.420 3.374 -10.327 1.00 0.00 H new ATOM 0 HA LYS A 10 10.825 4.696 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.446 3.864 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.870 5.230 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.282 3.608 -10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.671 2.326 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.585 3.912 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.187 4.695 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.004 1.705 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.491 2.590 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.271 2.169 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.263 3.839 -13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.729 2.981 -13.034 1.00 0.00 H new ATOM 119 N THR A 11 11.180 2.503 -6.699 1.00 0.00 N ATOM 120 CA THR A 11 11.423 1.227 -6.038 1.00 0.00 C ATOM 121 C THR A 11 11.055 1.295 -4.560 1.00 0.00 C ATOM 122 O THR A 11 11.077 2.366 -3.954 1.00 0.00 O ATOM 123 CB THR A 11 12.896 0.797 -6.169 1.00 0.00 C ATOM 124 OG1 THR A 11 13.727 1.948 -6.356 1.00 0.00 O ATOM 125 CG2 THR A 11 13.078 -0.162 -7.336 1.00 0.00 C ATOM 0 H THR A 11 11.372 3.321 -6.120 1.00 0.00 H new ATOM 0 HA THR A 11 10.792 0.489 -6.534 1.00 0.00 H new ATOM 0 HB THR A 11 13.186 0.286 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.662 1.667 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.126 -0.452 -7.409 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.466 -1.050 -7.176 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.772 0.328 -8.260 1.00 0.00 H new ATOM 133 N GLN A 12 10.717 0.145 -3.985 1.00 0.00 N ATOM 134 CA GLN A 12 10.344 0.075 -2.578 1.00 0.00 C ATOM 135 C GLN A 12 11.582 0.074 -1.686 1.00 0.00 C ATOM 136 O GLN A 12 11.813 -0.869 -0.929 1.00 0.00 O ATOM 137 CB GLN A 12 9.508 -1.178 -2.311 1.00 0.00 C ATOM 138 CG GLN A 12 8.413 -1.409 -3.339 1.00 0.00 C ATOM 139 CD GLN A 12 8.819 -2.399 -4.413 1.00 0.00 C ATOM 140 OE1 GLN A 12 9.385 -2.022 -5.439 1.00 0.00 O ATOM 141 NE2 GLN A 12 8.533 -3.675 -4.180 1.00 0.00 N ATOM 0 H GLN A 12 10.694 -0.751 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 12 9.749 0.957 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.166 -2.047 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.056 -1.099 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.518 -1.773 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.152 -0.459 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.063 -3.943 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.784 -4.387 -4.866 1.00 0.00 H new ATOM 150 N ARG A 13 12.374 1.137 -1.781 1.00 0.00 N ATOM 151 CA ARG A 13 13.589 1.258 -0.985 1.00 0.00 C ATOM 152 C ARG A 13 13.270 1.759 0.421 1.00 0.00 C ATOM 153 O ARG A 13 12.128 2.104 0.723 1.00 0.00 O ATOM 154 CB ARG A 13 14.577 2.208 -1.664 1.00 0.00 C ATOM 155 CG ARG A 13 14.103 3.651 -1.707 1.00 0.00 C ATOM 156 CD ARG A 13 14.626 4.373 -2.939 1.00 0.00 C ATOM 157 NE ARG A 13 15.891 5.055 -2.678 1.00 0.00 N ATOM 158 CZ ARG A 13 16.524 5.800 -3.579 1.00 0.00 C ATOM 159 NH1 ARG A 13 16.011 5.957 -4.791 1.00 0.00 N ATOM 160 NH2 ARG A 13 17.671 6.389 -3.266 1.00 0.00 N ATOM 0 H ARG A 13 12.196 1.927 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 13 14.042 0.270 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.531 2.163 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.758 1.863 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.013 3.677 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.437 4.172 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.761 3.656 -3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.886 5.099 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 13 16.312 4.954 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.129 5.506 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.498 6.529 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.068 6.270 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.156 6.960 -3.958 1.00 0.00 H new ATOM 174 N TRP A 14 14.286 1.794 1.275 1.00 0.00 N ATOM 175 CA TRP A 14 14.114 2.252 2.649 1.00 0.00 C ATOM 176 C TRP A 14 13.466 3.632 2.686 1.00 0.00 C ATOM 177 O TRP A 14 13.312 4.282 1.653 1.00 0.00 O ATOM 178 CB TRP A 14 15.463 2.289 3.369 1.00 0.00 C ATOM 179 CG TRP A 14 16.236 1.011 3.248 1.00 0.00 C ATOM 180 CD1 TRP A 14 17.403 0.820 2.565 1.00 0.00 C ATOM 181 CD2 TRP A 14 15.896 -0.255 3.826 1.00 0.00 C ATOM 182 NE1 TRP A 14 17.808 -0.488 2.683 1.00 0.00 N ATOM 183 CE2 TRP A 14 16.901 -1.167 3.452 1.00 0.00 C ATOM 184 CE3 TRP A 14 14.841 -0.705 4.624 1.00 0.00 C ATOM 185 CZ2 TRP A 14 16.880 -2.502 3.849 1.00 0.00 C ATOM 186 CZ3 TRP A 14 14.821 -2.030 5.016 1.00 0.00 C ATOM 187 CH2 TRP A 14 15.835 -2.915 4.630 1.00 0.00 C ATOM 0 H TRP A 14 15.237 1.511 1.041 1.00 0.00 H new ATOM 0 HA TRP A 14 13.457 1.549 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 14 16.060 3.106 2.965 1.00 0.00 H new ATOM 0 HB3 TRP A 14 15.298 2.507 4.424 1.00 0.00 H new ATOM 0 HD1 TRP A 14 17.930 1.584 2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 14 18.648 -0.888 2.265 1.00 0.00 H new ATOM 0 HE3 TRP A 14 14.055 -0.030 4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.660 -3.187 3.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 14.009 -2.389 5.631 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.792 -3.944 4.955 1.00 0.00 H new ATOM 198 N ALA A 15 13.089 4.072 3.882 1.00 0.00 N ATOM 199 CA ALA A 15 12.460 5.376 4.052 1.00 0.00 C ATOM 200 C ALA A 15 12.957 6.063 5.319 1.00 0.00 C ATOM 201 O ALA A 15 12.868 5.508 6.414 1.00 0.00 O ATOM 202 CB ALA A 15 10.946 5.231 4.088 1.00 0.00 C ATOM 0 H ALA A 15 13.208 3.545 4.747 1.00 0.00 H new ATOM 0 HA ALA A 15 12.734 5.998 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.489 6.213 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.601 4.789 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.662 4.588 4.921 1.00 0.00 H new ATOM 208 N GLU A 16 13.482 7.275 5.163 1.00 0.00 N ATOM 209 CA GLU A 16 13.995 8.037 6.295 1.00 0.00 C ATOM 210 C GLU A 16 12.954 8.124 7.408 1.00 0.00 C ATOM 211 O GLU A 16 11.759 7.923 7.192 1.00 0.00 O ATOM 212 CB GLU A 16 14.400 9.444 5.850 1.00 0.00 C ATOM 213 CG GLU A 16 15.891 9.597 5.600 1.00 0.00 C ATOM 214 CD GLU A 16 16.276 9.299 4.164 1.00 0.00 C ATOM 215 OE1 GLU A 16 15.410 8.813 3.406 1.00 0.00 O ATOM 216 OE2 GLU A 16 17.443 9.553 3.798 1.00 0.00 O ATOM 0 H GLU A 16 13.563 7.750 4.264 1.00 0.00 H new ATOM 0 HA GLU A 16 14.873 7.519 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.859 9.697 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.092 10.160 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.195 10.613 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.437 8.928 6.265 1.00 0.00 H new ATOM 223 N PRO A 17 13.418 8.430 8.629 1.00 0.00 N ATOM 224 CA PRO A 17 12.546 8.551 9.800 1.00 0.00 C ATOM 225 C PRO A 17 11.645 9.779 9.728 1.00 0.00 C ATOM 226 O PRO A 17 11.915 10.798 10.362 1.00 0.00 O ATOM 227 CB PRO A 17 13.531 8.679 10.965 1.00 0.00 C ATOM 228 CG PRO A 17 14.768 9.240 10.354 1.00 0.00 C ATOM 229 CD PRO A 17 14.831 8.683 8.959 1.00 0.00 C ATOM 0 HA PRO A 17 11.866 7.704 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.141 9.335 11.743 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.722 7.712 11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.736 10.329 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.650 8.956 10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.286 9.389 8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.423 7.769 8.918 1.00 0.00 H new ATOM 237 N GLY A 18 10.571 9.675 8.950 1.00 0.00 N ATOM 238 CA GLY A 18 9.646 10.784 8.809 1.00 0.00 C ATOM 239 C GLY A 18 8.885 10.742 7.499 1.00 0.00 C ATOM 240 O GLY A 18 7.829 11.360 7.368 1.00 0.00 O ATOM 0 H GLY A 18 10.326 8.842 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.938 10.770 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.196 11.723 8.876 1.00 0.00 H new ATOM 244 N GLU A 19 9.422 10.011 6.527 1.00 0.00 N ATOM 245 CA GLU A 19 8.786 9.893 5.220 1.00 0.00 C ATOM 246 C GLU A 19 7.703 8.818 5.237 1.00 0.00 C ATOM 247 O GLU A 19 7.677 7.941 6.101 1.00 0.00 O ATOM 248 CB GLU A 19 9.828 9.566 4.149 1.00 0.00 C ATOM 249 CG GLU A 19 10.172 10.744 3.254 1.00 0.00 C ATOM 250 CD GLU A 19 10.917 10.327 2.001 1.00 0.00 C ATOM 251 OE1 GLU A 19 11.766 9.417 2.090 1.00 0.00 O ATOM 252 OE2 GLU A 19 10.648 10.912 0.930 1.00 0.00 O ATOM 0 H GLU A 19 10.295 9.492 6.620 1.00 0.00 H new ATOM 0 HA GLU A 19 8.320 10.850 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.737 9.212 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.457 8.748 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.255 11.261 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.779 11.455 3.814 1.00 0.00 H new ATOM 259 N PRO A 20 6.787 8.887 4.260 1.00 0.00 N ATOM 260 CA PRO A 20 5.684 7.928 4.140 1.00 0.00 C ATOM 261 C PRO A 20 6.164 6.541 3.727 1.00 0.00 C ATOM 262 O PRO A 20 7.166 6.405 3.023 1.00 0.00 O ATOM 263 CB PRO A 20 4.802 8.537 3.047 1.00 0.00 C ATOM 264 CG PRO A 20 5.729 9.375 2.236 1.00 0.00 C ATOM 265 CD PRO A 20 6.757 9.905 3.197 1.00 0.00 C ATOM 0 HA PRO A 20 5.168 7.779 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.334 7.763 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.998 9.136 3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.199 8.786 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.193 10.190 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.731 10.018 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.477 10.884 3.586 1.00 0.00 H new ATOM 273 N ILE A 21 5.444 5.515 4.166 1.00 0.00 N ATOM 274 CA ILE A 21 5.796 4.139 3.840 1.00 0.00 C ATOM 275 C ILE A 21 4.566 3.340 3.424 1.00 0.00 C ATOM 276 O ILE A 21 3.472 3.544 3.952 1.00 0.00 O ATOM 277 CB ILE A 21 6.474 3.434 5.030 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.752 4.175 5.428 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.782 1.985 4.682 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.158 3.948 6.868 1.00 0.00 C ATOM 0 H ILE A 21 4.612 5.611 4.749 1.00 0.00 H new ATOM 0 HA ILE A 21 6.497 4.182 3.006 1.00 0.00 H new ATOM 0 HB ILE A 21 5.790 3.446 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.565 3.857 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.610 5.243 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.261 1.500 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.855 1.464 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.451 1.952 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.072 4.503 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.362 4.292 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.333 2.885 7.034 1.00 0.00 H new ATOM 292 N CYS A 22 4.752 2.429 2.475 1.00 0.00 N ATOM 293 CA CYS A 22 3.658 1.598 1.988 1.00 0.00 C ATOM 294 C CYS A 22 2.911 0.947 3.149 1.00 0.00 C ATOM 295 O CYS A 22 3.518 0.515 4.128 1.00 0.00 O ATOM 296 CB CYS A 22 4.191 0.520 1.042 1.00 0.00 C ATOM 297 SG CYS A 22 3.033 0.056 -0.286 1.00 0.00 S ATOM 0 H CYS A 22 5.651 2.248 2.028 1.00 0.00 H new ATOM 0 HA CYS A 22 2.963 2.238 1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.119 0.873 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.436 -0.369 1.623 1.00 0.00 H new ATOM 302 N VAL A 23 1.588 0.881 3.031 1.00 0.00 N ATOM 303 CA VAL A 23 0.757 0.283 4.069 1.00 0.00 C ATOM 304 C VAL A 23 0.492 -1.190 3.779 1.00 0.00 C ATOM 305 O VAL A 23 -0.147 -1.885 4.570 1.00 0.00 O ATOM 306 CB VAL A 23 -0.589 1.018 4.204 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.382 2.407 4.791 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.289 1.099 2.856 1.00 0.00 C ATOM 0 H VAL A 23 1.069 1.234 2.227 1.00 0.00 H new ATOM 0 HA VAL A 23 1.307 0.373 5.006 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.226 0.453 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.344 2.912 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.074 2.321 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.272 2.984 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.239 1.622 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.659 1.641 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.472 0.092 2.480 1.00 0.00 H new ATOM 318 N VAL A 24 0.988 -1.662 2.639 1.00 0.00 N ATOM 319 CA VAL A 24 0.806 -3.054 2.245 1.00 0.00 C ATOM 320 C VAL A 24 2.148 -3.761 2.088 1.00 0.00 C ATOM 321 O VAL A 24 2.246 -4.976 2.259 1.00 0.00 O ATOM 322 CB VAL A 24 0.023 -3.165 0.923 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.399 -2.655 1.101 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.736 -2.404 -0.184 1.00 0.00 C ATOM 0 H VAL A 24 1.519 -1.101 1.973 1.00 0.00 H new ATOM 0 HA VAL A 24 0.235 -3.536 3.039 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.026 -4.216 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.937 -2.741 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.905 -3.248 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.375 -1.610 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.169 -2.493 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.818 -1.353 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.733 -2.820 -0.328 1.00 0.00 H new ATOM 334 N CYS A 25 3.181 -2.991 1.763 1.00 0.00 N ATOM 335 CA CYS A 25 4.519 -3.542 1.583 1.00 0.00 C ATOM 336 C CYS A 25 5.355 -3.364 2.847 1.00 0.00 C ATOM 337 O CYS A 25 5.511 -4.295 3.637 1.00 0.00 O ATOM 338 CB CYS A 25 5.215 -2.868 0.399 1.00 0.00 C ATOM 339 SG CYS A 25 4.420 -3.184 -1.209 1.00 0.00 S ATOM 0 H CYS A 25 3.117 -1.983 1.619 1.00 0.00 H new ATOM 0 HA CYS A 25 4.422 -4.609 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.244 -1.792 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.248 -3.212 0.355 1.00 0.00 H new ATOM 344 N GLY A 26 5.890 -2.161 3.032 1.00 0.00 N ATOM 345 CA GLY A 26 6.703 -1.883 4.201 1.00 0.00 C ATOM 346 C GLY A 26 8.081 -1.365 3.839 1.00 0.00 C ATOM 347 O GLY A 26 9.089 -1.852 4.352 1.00 0.00 O ATOM 0 H GLY A 26 5.775 -1.374 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.195 -1.149 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.804 -2.792 4.794 1.00 0.00 H new ATOM 351 N ARG A 27 8.126 -0.376 2.953 1.00 0.00 N ATOM 352 CA ARG A 27 9.391 0.206 2.520 1.00 0.00 C ATOM 353 C ARG A 27 9.288 1.725 2.430 1.00 0.00 C ATOM 354 O ARG A 27 9.826 2.445 3.271 1.00 0.00 O ATOM 355 CB ARG A 27 9.805 -0.370 1.164 1.00 0.00 C ATOM 356 CG ARG A 27 10.014 -1.875 1.180 1.00 0.00 C ATOM 357 CD ARG A 27 11.265 -2.256 1.955 1.00 0.00 C ATOM 358 NE ARG A 27 11.162 -3.591 2.538 1.00 0.00 N ATOM 359 CZ ARG A 27 11.359 -4.710 1.850 1.00 0.00 C ATOM 360 NH1 ARG A 27 11.667 -4.655 0.562 1.00 0.00 N ATOM 361 NH2 ARG A 27 11.248 -5.888 2.451 1.00 0.00 N ATOM 0 H ARG A 27 7.301 0.039 2.521 1.00 0.00 H new ATOM 0 HA ARG A 27 10.150 -0.046 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.041 -0.126 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.727 0.113 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.146 -2.359 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.092 -2.243 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.129 -2.216 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.437 -1.527 2.747 1.00 0.00 H new ATOM 0 HE ARG A 27 10.926 -3.668 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.753 -3.752 0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.818 -5.516 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.011 -5.935 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.399 -6.747 1.922 1.00 0.00 H new ATOM 375 N TYR A 28 8.594 2.206 1.405 1.00 0.00 N ATOM 376 CA TYR A 28 8.422 3.640 1.202 1.00 0.00 C ATOM 377 C TYR A 28 7.141 3.931 0.428 1.00 0.00 C ATOM 378 O TYR A 28 6.702 3.128 -0.395 1.00 0.00 O ATOM 379 CB TYR A 28 9.626 4.218 0.456 1.00 0.00 C ATOM 380 CG TYR A 28 9.475 5.681 0.107 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.320 6.641 1.100 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.489 6.105 -1.217 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.182 7.979 0.785 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.353 7.441 -1.540 1.00 0.00 C ATOM 385 CZ TYR A 28 9.199 8.374 -0.536 1.00 0.00 C ATOM 386 OH TYR A 28 9.063 9.706 -0.854 1.00 0.00 O ATOM 0 H TYR A 28 8.141 1.624 0.701 1.00 0.00 H new ATOM 0 HA TYR A 28 8.348 4.114 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.519 4.089 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.783 3.649 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.307 6.336 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.608 5.377 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.061 8.712 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.367 7.754 -2.574 1.00 0.00 H new ATOM 0 HH TYR A 28 9.777 10.220 -0.422 1.00 0.00 H new ATOM 396 N GLY A 29 6.544 5.089 0.697 1.00 0.00 N ATOM 397 CA GLY A 29 5.319 5.468 0.018 1.00 0.00 C ATOM 398 C GLY A 29 5.465 6.760 -0.762 1.00 0.00 C ATOM 399 O GLY A 29 4.955 7.801 -0.350 1.00 0.00 O ATOM 0 H GLY A 29 6.887 5.771 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.021 4.669 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.520 5.578 0.751 1.00 0.00 H new ATOM 403 N GLU A 30 6.164 6.692 -1.891 1.00 0.00 N ATOM 404 CA GLU A 30 6.377 7.867 -2.728 1.00 0.00 C ATOM 405 C GLU A 30 5.046 8.485 -3.147 1.00 0.00 C ATOM 406 O GLU A 30 4.973 9.673 -3.461 1.00 0.00 O ATOM 407 CB GLU A 30 7.193 7.495 -3.968 1.00 0.00 C ATOM 408 CG GLU A 30 7.820 8.691 -4.665 1.00 0.00 C ATOM 409 CD GLU A 30 9.081 8.329 -5.424 1.00 0.00 C ATOM 410 OE1 GLU A 30 9.046 7.351 -6.200 1.00 0.00 O ATOM 411 OE2 GLU A 30 10.104 9.022 -5.243 1.00 0.00 O ATOM 0 H GLU A 30 6.592 5.837 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 30 6.931 8.602 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.981 6.799 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.548 6.971 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.097 9.125 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.053 9.457 -3.925 1.00 0.00 H new ATOM 418 N TYR A 31 3.997 7.670 -3.150 1.00 0.00 N ATOM 419 CA TYR A 31 2.670 8.134 -3.533 1.00 0.00 C ATOM 420 C TYR A 31 1.748 8.210 -2.320 1.00 0.00 C ATOM 421 O TYR A 31 1.874 7.424 -1.380 1.00 0.00 O ATOM 422 CB TYR A 31 2.066 7.206 -4.589 1.00 0.00 C ATOM 423 CG TYR A 31 2.884 7.119 -5.857 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.439 8.258 -6.429 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.102 5.899 -6.485 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.186 8.185 -7.588 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.849 5.816 -7.644 1.00 0.00 C ATOM 428 CZ TYR A 31 4.389 6.961 -8.192 1.00 0.00 C ATOM 429 OH TYR A 31 5.133 6.882 -9.347 1.00 0.00 O ATOM 0 H TYR A 31 4.041 6.684 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 31 2.771 9.135 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.960 6.207 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.063 7.555 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.283 9.217 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.680 5.000 -6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.609 9.080 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.009 4.859 -8.119 1.00 0.00 H new ATOM 0 HH TYR A 31 5.181 5.949 -9.642 1.00 0.00 H new ATOM 439 N ILE A 32 0.820 9.161 -2.348 1.00 0.00 N ATOM 440 CA ILE A 32 -0.124 9.339 -1.252 1.00 0.00 C ATOM 441 C ILE A 32 -1.513 9.689 -1.775 1.00 0.00 C ATOM 442 O ILE A 32 -1.673 10.611 -2.576 1.00 0.00 O ATOM 443 CB ILE A 32 0.339 10.443 -0.283 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.666 10.053 0.371 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.724 10.699 0.775 1.00 0.00 C ATOM 446 CD1 ILE A 32 2.878 10.626 -0.330 1.00 0.00 C ATOM 0 H ILE A 32 0.702 9.820 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.167 8.391 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 32 0.490 11.363 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.663 10.390 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.747 8.966 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.382 11.482 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.649 11.015 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.904 9.784 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.782 10.308 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.906 10.269 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.820 11.714 -0.325 1.00 0.00 H new ATOM 458 N CYS A 33 -2.516 8.947 -1.317 1.00 0.00 N ATOM 459 CA CYS A 33 -3.893 9.179 -1.738 1.00 0.00 C ATOM 460 C CYS A 33 -4.424 10.488 -1.163 1.00 0.00 C ATOM 461 O CYS A 33 -3.692 11.233 -0.512 1.00 0.00 O ATOM 462 CB CYS A 33 -4.785 8.016 -1.299 1.00 0.00 C ATOM 463 SG CYS A 33 -5.955 7.466 -2.563 1.00 0.00 S ATOM 0 H CYS A 33 -2.401 8.180 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.908 9.249 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.153 7.175 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.341 8.314 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.147 7.393 -2.049 1.00 0.00 H new ATOM 469 N ASP A 34 -5.700 10.761 -1.410 1.00 0.00 N ATOM 470 CA ASP A 34 -6.330 11.981 -0.918 1.00 0.00 C ATOM 471 C ASP A 34 -7.392 11.660 0.129 1.00 0.00 C ATOM 472 O ASP A 34 -7.331 12.143 1.260 1.00 0.00 O ATOM 473 CB ASP A 34 -6.956 12.760 -2.076 1.00 0.00 C ATOM 474 CG ASP A 34 -5.938 13.590 -2.833 1.00 0.00 C ATOM 475 OD1 ASP A 34 -4.886 13.036 -3.214 1.00 0.00 O ATOM 476 OD2 ASP A 34 -6.194 14.794 -3.045 1.00 0.00 O ATOM 0 H ASP A 34 -6.319 10.154 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.560 12.596 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.434 12.062 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.738 13.413 -1.690 1.00 0.00 H new ATOM 481 N LYS A 35 -8.366 10.842 -0.255 1.00 0.00 N ATOM 482 CA LYS A 35 -9.443 10.456 0.649 1.00 0.00 C ATOM 483 C LYS A 35 -8.888 9.773 1.895 1.00 0.00 C ATOM 484 O LYS A 35 -9.248 10.122 3.020 1.00 0.00 O ATOM 485 CB LYS A 35 -10.424 9.522 -0.063 1.00 0.00 C ATOM 486 CG LYS A 35 -11.170 10.183 -1.210 1.00 0.00 C ATOM 487 CD LYS A 35 -11.053 9.374 -2.491 1.00 0.00 C ATOM 488 CE LYS A 35 -11.335 10.229 -3.717 1.00 0.00 C ATOM 489 NZ LYS A 35 -11.213 9.447 -4.978 1.00 0.00 N ATOM 0 H LYS A 35 -8.432 10.433 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.969 11.360 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.879 8.659 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.147 9.147 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.221 10.296 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.773 11.185 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.052 8.949 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.752 8.538 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.339 10.648 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.641 11.069 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.413 10.065 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.248 9.069 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.893 8.660 -4.966 1.00 0.00 H new ATOM 503 N THR A 36 -8.008 8.798 1.688 1.00 0.00 N ATOM 504 CA THR A 36 -7.404 8.066 2.794 1.00 0.00 C ATOM 505 C THR A 36 -6.090 8.708 3.224 1.00 0.00 C ATOM 506 O THR A 36 -5.676 8.585 4.377 1.00 0.00 O ATOM 507 CB THR A 36 -7.145 6.595 2.420 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.827 6.492 1.027 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.360 5.735 2.733 1.00 0.00 C ATOM 0 H THR A 36 -7.698 8.497 0.764 1.00 0.00 H new ATOM 0 HA THR A 36 -8.112 8.103 3.622 1.00 0.00 H new ATOM 0 HB THR A 36 -6.303 6.236 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.108 5.838 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.153 4.700 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.581 5.792 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.217 6.096 2.165 1.00 0.00 H new ATOM 517 N ASP A 37 -5.438 9.393 2.291 1.00 0.00 N ATOM 518 CA ASP A 37 -4.170 10.057 2.575 1.00 0.00 C ATOM 519 C ASP A 37 -3.101 9.041 2.964 1.00 0.00 C ATOM 520 O ASP A 37 -2.071 9.399 3.534 1.00 0.00 O ATOM 521 CB ASP A 37 -4.347 11.084 3.694 1.00 0.00 C ATOM 522 CG ASP A 37 -5.547 11.984 3.470 1.00 0.00 C ATOM 523 OD1 ASP A 37 -6.683 11.528 3.714 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.349 13.143 3.050 1.00 0.00 O ATOM 0 H ASP A 37 -5.766 9.503 1.332 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.846 10.571 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.459 10.564 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.447 11.695 3.768 1.00 0.00 H new ATOM 529 N GLU A 38 -3.354 7.774 2.653 1.00 0.00 N ATOM 530 CA GLU A 38 -2.413 6.707 2.972 1.00 0.00 C ATOM 531 C GLU A 38 -1.118 6.869 2.182 1.00 0.00 C ATOM 532 O GLU A 38 -0.892 7.898 1.544 1.00 0.00 O ATOM 533 CB GLU A 38 -3.036 5.341 2.676 1.00 0.00 C ATOM 534 CG GLU A 38 -2.987 4.381 3.853 1.00 0.00 C ATOM 535 CD GLU A 38 -3.978 4.742 4.942 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.881 5.563 4.675 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.851 4.203 6.061 1.00 0.00 O ATOM 0 H GLU A 38 -4.202 7.461 2.181 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.180 6.769 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.074 5.482 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.518 4.891 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.192 3.370 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.980 4.375 4.271 1.00 0.00 H new ATOM 544 N ASP A 39 -0.270 5.847 2.231 1.00 0.00 N ATOM 545 CA ASP A 39 1.003 5.876 1.520 1.00 0.00 C ATOM 546 C ASP A 39 1.252 4.554 0.800 1.00 0.00 C ATOM 547 O ASP A 39 1.059 3.479 1.368 1.00 0.00 O ATOM 548 CB ASP A 39 2.148 6.165 2.492 1.00 0.00 C ATOM 549 CG ASP A 39 1.920 7.431 3.294 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.367 8.398 2.732 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.296 7.454 4.485 1.00 0.00 O ATOM 0 H ASP A 39 -0.441 4.989 2.755 1.00 0.00 H new ATOM 0 HA ASP A 39 0.959 6.672 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.264 5.322 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.080 6.254 1.934 1.00 0.00 H new ATOM 556 N VAL A 40 1.682 4.642 -0.455 1.00 0.00 N ATOM 557 CA VAL A 40 1.958 3.454 -1.254 1.00 0.00 C ATOM 558 C VAL A 40 3.155 3.674 -2.171 1.00 0.00 C ATOM 559 O VAL A 40 3.558 4.810 -2.423 1.00 0.00 O ATOM 560 CB VAL A 40 0.738 3.055 -2.107 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.307 2.357 -1.250 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.147 4.276 -2.794 1.00 0.00 C ATOM 0 H VAL A 40 1.847 5.524 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 40 2.183 2.648 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 40 1.067 2.357 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.161 2.083 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.125 1.459 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.635 3.029 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.713 3.976 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.168 5.000 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.898 4.729 -3.441 1.00 0.00 H new ATOM 572 N CYS A 41 3.722 2.579 -2.668 1.00 0.00 N ATOM 573 CA CYS A 41 4.874 2.651 -3.558 1.00 0.00 C ATOM 574 C CYS A 41 4.443 2.531 -5.017 1.00 0.00 C ATOM 575 O CYS A 41 4.973 3.219 -5.890 1.00 0.00 O ATOM 576 CB CYS A 41 5.876 1.546 -3.219 1.00 0.00 C ATOM 577 SG CYS A 41 5.226 -0.141 -3.440 1.00 0.00 S ATOM 0 H CYS A 41 3.402 1.631 -2.469 1.00 0.00 H new ATOM 0 HA CYS A 41 5.351 3.621 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.760 1.668 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.198 1.667 -2.185 1.00 0.00 H new ATOM 582 N SER A 42 3.478 1.654 -5.273 1.00 0.00 N ATOM 583 CA SER A 42 2.978 1.441 -6.626 1.00 0.00 C ATOM 584 C SER A 42 1.470 1.663 -6.689 1.00 0.00 C ATOM 585 O SER A 42 0.796 1.721 -5.660 1.00 0.00 O ATOM 586 CB SER A 42 3.317 0.027 -7.102 1.00 0.00 C ATOM 587 OG SER A 42 4.719 -0.174 -7.146 1.00 0.00 O ATOM 0 H SER A 42 3.027 1.079 -4.561 1.00 0.00 H new ATOM 0 HA SER A 42 3.462 2.163 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.863 -0.704 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.891 -0.139 -8.092 1.00 0.00 H new ATOM 0 HG SER A 42 4.909 -1.086 -7.451 1.00 0.00 H new ATOM 593 N LEU A 43 0.947 1.787 -7.904 1.00 0.00 N ATOM 594 CA LEU A 43 -0.482 2.003 -8.103 1.00 0.00 C ATOM 595 C LEU A 43 -1.288 0.808 -7.606 1.00 0.00 C ATOM 596 O LEU A 43 -2.383 0.966 -7.068 1.00 0.00 O ATOM 597 CB LEU A 43 -0.779 2.252 -9.583 1.00 0.00 C ATOM 598 CG LEU A 43 -0.127 3.491 -10.199 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.760 3.815 -11.543 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.239 4.678 -9.254 1.00 0.00 C ATOM 0 H LEU A 43 1.491 1.742 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.775 2.881 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.458 1.378 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.859 2.334 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 43 0.930 3.280 -10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.283 4.699 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.627 2.972 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.824 4.007 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.230 5.551 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.290 4.891 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.263 4.444 -8.315 1.00 0.00 H new ATOM 612 N GLU A 44 -0.737 -0.388 -7.787 1.00 0.00 N ATOM 613 CA GLU A 44 -1.405 -1.610 -7.355 1.00 0.00 C ATOM 614 C GLU A 44 -1.656 -1.590 -5.850 1.00 0.00 C ATOM 615 O GLU A 44 -2.707 -2.025 -5.378 1.00 0.00 O ATOM 616 CB GLU A 44 -0.566 -2.835 -7.726 1.00 0.00 C ATOM 617 CG GLU A 44 -1.092 -4.134 -7.139 1.00 0.00 C ATOM 618 CD GLU A 44 -0.288 -5.341 -7.579 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.934 -5.367 -7.319 1.00 0.00 O ATOM 620 OE2 GLU A 44 -0.878 -6.260 -8.184 1.00 0.00 O ATOM 0 H GLU A 44 0.170 -0.537 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.366 -1.668 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.530 -2.925 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.458 -2.680 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.077 -4.069 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.132 -4.267 -7.436 1.00 0.00 H new ATOM 627 N CYS A 45 -0.684 -1.081 -5.100 1.00 0.00 N ATOM 628 CA CYS A 45 -0.797 -1.004 -3.649 1.00 0.00 C ATOM 629 C CYS A 45 -1.886 -0.016 -3.240 1.00 0.00 C ATOM 630 O CYS A 45 -2.664 -0.276 -2.322 1.00 0.00 O ATOM 631 CB CYS A 45 0.540 -0.589 -3.033 1.00 0.00 C ATOM 632 SG CYS A 45 1.917 -1.719 -3.414 1.00 0.00 S ATOM 0 H CYS A 45 0.192 -0.715 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.069 -1.992 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.796 0.410 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.425 -0.525 -1.951 1.00 0.00 H new ATOM 637 N LYS A 46 -1.936 1.120 -3.929 1.00 0.00 N ATOM 638 CA LYS A 46 -2.929 2.147 -3.641 1.00 0.00 C ATOM 639 C LYS A 46 -4.335 1.555 -3.621 1.00 0.00 C ATOM 640 O LYS A 46 -4.992 1.526 -2.580 1.00 0.00 O ATOM 641 CB LYS A 46 -2.851 3.267 -4.681 1.00 0.00 C ATOM 642 CG LYS A 46 -3.416 4.590 -4.193 1.00 0.00 C ATOM 643 CD LYS A 46 -3.500 5.609 -5.317 1.00 0.00 C ATOM 644 CE LYS A 46 -3.129 7.003 -4.835 1.00 0.00 C ATOM 645 NZ LYS A 46 -2.238 7.705 -5.799 1.00 0.00 N ATOM 0 H LYS A 46 -1.299 1.352 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.713 2.559 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.810 3.411 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.391 2.959 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.408 4.430 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.789 4.981 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.834 5.314 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.511 5.621 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.036 7.589 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.633 6.932 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.008 8.651 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.361 7.159 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.721 7.796 -6.716 1.00 0.00 H new ATOM 659 N ALA A 47 -4.789 1.082 -4.776 1.00 0.00 N ATOM 660 CA ALA A 47 -6.115 0.487 -4.890 1.00 0.00 C ATOM 661 C ALA A 47 -6.258 -0.716 -3.964 1.00 0.00 C ATOM 662 O ALA A 47 -7.349 -1.011 -3.475 1.00 0.00 O ATOM 663 CB ALA A 47 -6.390 0.082 -6.331 1.00 0.00 C ATOM 0 H ALA A 47 -4.258 1.099 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.849 1.234 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.384 -0.361 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.339 0.962 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.645 -0.646 -6.653 1.00 0.00 H new ATOM 669 N LYS A 48 -5.149 -1.410 -3.728 1.00 0.00 N ATOM 670 CA LYS A 48 -5.150 -2.582 -2.860 1.00 0.00 C ATOM 671 C LYS A 48 -5.573 -2.209 -1.443 1.00 0.00 C ATOM 672 O LYS A 48 -6.170 -3.016 -0.729 1.00 0.00 O ATOM 673 CB LYS A 48 -3.762 -3.226 -2.837 1.00 0.00 C ATOM 674 CG LYS A 48 -3.640 -4.440 -3.741 1.00 0.00 C ATOM 675 CD LYS A 48 -2.497 -5.344 -3.309 1.00 0.00 C ATOM 676 CE LYS A 48 -2.853 -6.131 -2.057 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.450 -7.560 -2.167 1.00 0.00 N ATOM 0 H LYS A 48 -4.238 -1.181 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.869 -3.298 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.022 -2.484 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.524 -3.519 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.574 -5.001 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.479 -4.115 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.252 -6.034 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.607 -4.743 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.363 -5.681 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.927 -6.069 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.710 -8.062 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.937 -7.997 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.421 -7.621 -2.308 1.00 0.00 H new ATOM 691 N HIS A 49 -5.261 -0.981 -1.041 1.00 0.00 N ATOM 692 CA HIS A 49 -5.611 -0.501 0.291 1.00 0.00 C ATOM 693 C HIS A 49 -6.945 0.239 0.269 1.00 0.00 C ATOM 694 O HIS A 49 -7.717 0.178 1.228 1.00 0.00 O ATOM 695 CB HIS A 49 -4.514 0.419 0.830 1.00 0.00 C ATOM 696 CG HIS A 49 -4.907 1.158 2.071 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.844 0.600 3.331 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.369 2.418 2.242 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.252 1.485 4.223 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.576 2.597 3.588 1.00 0.00 N ATOM 0 H HIS A 49 -4.767 -0.301 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.705 -1.366 0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.623 -0.174 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.244 1.140 0.058 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.531 -0.348 3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.543 3.147 1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.311 1.326 5.290 1.00 0.00 H new ATOM 708 N LEU A 50 -7.210 0.938 -0.829 1.00 0.00 N ATOM 709 CA LEU A 50 -8.451 1.691 -0.975 1.00 0.00 C ATOM 710 C LEU A 50 -9.657 0.756 -0.988 1.00 0.00 C ATOM 711 O LEU A 50 -10.584 0.910 -0.192 1.00 0.00 O ATOM 712 CB LEU A 50 -8.420 2.518 -2.261 1.00 0.00 C ATOM 713 CG LEU A 50 -7.424 3.678 -2.289 1.00 0.00 C ATOM 714 CD1 LEU A 50 -7.549 4.459 -3.588 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.637 4.593 -1.092 1.00 0.00 C ATOM 0 H LEU A 50 -6.583 0.999 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.543 2.362 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.194 1.851 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.419 2.918 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.416 3.267 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.832 5.280 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.345 3.798 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.559 4.859 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.919 5.413 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.650 4.996 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.495 4.027 -0.171 1.00 0.00 H new ATOM 727 N LEU A 51 -9.637 -0.214 -1.895 1.00 0.00 N ATOM 728 CA LEU A 51 -10.727 -1.177 -2.010 1.00 0.00 C ATOM 729 C LEU A 51 -10.863 -2.001 -0.734 1.00 0.00 C ATOM 730 O LEU A 51 -11.887 -2.646 -0.507 1.00 0.00 O ATOM 731 CB LEU A 51 -10.493 -2.102 -3.206 1.00 0.00 C ATOM 732 CG LEU A 51 -9.947 -3.492 -2.881 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.922 -4.361 -4.129 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.555 -3.390 -2.273 1.00 0.00 C ATOM 0 H LEU A 51 -8.878 -0.355 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.653 -0.623 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.436 -2.219 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.800 -1.612 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.608 -3.959 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.530 -5.347 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.933 -4.462 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.284 -3.898 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.182 -4.389 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.884 -2.903 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.601 -2.805 -1.355 1.00 0.00 H new ATOM 746 N GLN A 52 -9.826 -1.972 0.096 1.00 0.00 N ATOM 747 CA GLN A 52 -9.831 -2.716 1.350 1.00 0.00 C ATOM 748 C GLN A 52 -10.428 -1.878 2.477 1.00 0.00 C ATOM 749 O GLN A 52 -10.933 -2.415 3.463 1.00 0.00 O ATOM 750 CB GLN A 52 -8.410 -3.148 1.718 1.00 0.00 C ATOM 751 CG GLN A 52 -8.035 -4.521 1.185 1.00 0.00 C ATOM 752 CD GLN A 52 -8.132 -5.604 2.242 1.00 0.00 C ATOM 753 OE1 GLN A 52 -9.144 -6.297 2.347 1.00 0.00 O ATOM 754 NE2 GLN A 52 -7.076 -5.755 3.032 1.00 0.00 N ATOM 0 H GLN A 52 -8.972 -1.442 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.449 -3.604 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.704 -2.412 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.309 -3.149 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.689 -4.774 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.018 -4.490 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.258 -5.158 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.083 -6.468 3.762 1.00 0.00 H new ATOM 763 N VAL A 53 -10.365 -0.559 2.324 1.00 0.00 N ATOM 764 CA VAL A 53 -10.900 0.352 3.329 1.00 0.00 C ATOM 765 C VAL A 53 -12.407 0.521 3.171 1.00 0.00 C ATOM 766 O VAL A 53 -13.115 0.813 4.136 1.00 0.00 O ATOM 767 CB VAL A 53 -10.228 1.736 3.245 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.877 2.705 4.222 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.735 1.620 3.509 1.00 0.00 C ATOM 0 H VAL A 53 -9.949 -0.098 1.515 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.687 -0.090 4.303 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.366 2.127 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.389 3.677 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.935 2.811 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.773 2.323 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.277 2.607 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.573 1.208 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.284 0.962 2.766 1.00 0.00 H new ATOM 779 N LYS A 54 -12.893 0.334 1.949 1.00 0.00 N ATOM 780 CA LYS A 54 -14.317 0.463 1.663 1.00 0.00 C ATOM 781 C LYS A 54 -15.101 -0.698 2.268 1.00 0.00 C ATOM 782 O LYS A 54 -16.052 -0.490 3.020 1.00 0.00 O ATOM 783 CB LYS A 54 -14.552 0.518 0.152 1.00 0.00 C ATOM 784 CG LYS A 54 -14.017 1.781 -0.501 1.00 0.00 C ATOM 785 CD LYS A 54 -15.106 2.829 -0.664 1.00 0.00 C ATOM 786 CE LYS A 54 -14.539 4.147 -1.169 1.00 0.00 C ATOM 787 NZ LYS A 54 -15.614 5.084 -1.598 1.00 0.00 N ATOM 0 H LYS A 54 -12.321 0.092 1.140 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.670 1.391 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.081 -0.349 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.622 0.443 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.206 2.188 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.596 1.537 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.861 2.465 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.605 2.989 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.944 4.612 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.867 3.957 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.188 5.970 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.166 4.651 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.240 5.286 -0.793 1.00 0.00 H new ATOM 801 N GLU A 55 -14.693 -1.919 1.935 1.00 0.00 N ATOM 802 CA GLU A 55 -15.357 -3.111 2.447 1.00 0.00 C ATOM 803 C GLU A 55 -15.380 -3.109 3.973 1.00 0.00 C ATOM 804 O GLU A 55 -16.257 -3.712 4.593 1.00 0.00 O ATOM 805 CB GLU A 55 -14.654 -4.372 1.939 1.00 0.00 C ATOM 806 CG GLU A 55 -13.254 -4.556 2.499 1.00 0.00 C ATOM 807 CD GLU A 55 -13.173 -5.686 3.507 1.00 0.00 C ATOM 808 OE1 GLU A 55 -13.660 -5.504 4.642 1.00 0.00 O ATOM 809 OE2 GLU A 55 -12.622 -6.752 3.160 1.00 0.00 O ATOM 0 H GLU A 55 -13.907 -2.108 1.314 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.385 -3.106 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.257 -5.243 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.599 -4.334 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.562 -4.754 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.931 -3.628 2.972 1.00 0.00 H new ATOM 816 N LYS A 56 -14.410 -2.427 4.572 1.00 0.00 N ATOM 817 CA LYS A 56 -14.317 -2.344 6.025 1.00 0.00 C ATOM 818 C LYS A 56 -15.386 -1.412 6.586 1.00 0.00 C ATOM 819 O LYS A 56 -15.905 -1.636 7.680 1.00 0.00 O ATOM 820 CB LYS A 56 -12.928 -1.854 6.441 1.00 0.00 C ATOM 821 CG LYS A 56 -11.936 -2.976 6.689 1.00 0.00 C ATOM 822 CD LYS A 56 -11.459 -2.990 8.131 1.00 0.00 C ATOM 823 CE LYS A 56 -10.121 -2.283 8.283 1.00 0.00 C ATOM 824 NZ LYS A 56 -9.069 -3.193 8.813 1.00 0.00 N ATOM 0 H LYS A 56 -13.676 -1.923 4.073 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.480 -3.342 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.535 -1.199 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.020 -1.255 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.400 -3.933 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.081 -2.861 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.201 -2.506 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.368 -4.020 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.807 -1.889 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.235 -1.431 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.173 -2.673 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.357 -3.549 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.942 -3.993 8.161 1.00 0.00 H new ATOM 838 N GLU A 57 -15.712 -0.369 5.830 1.00 0.00 N ATOM 839 CA GLU A 57 -16.720 0.596 6.253 1.00 0.00 C ATOM 840 C GLU A 57 -18.126 0.040 6.047 1.00 0.00 C ATOM 841 O GLU A 57 -19.062 0.417 6.750 1.00 0.00 O ATOM 842 CB GLU A 57 -16.560 1.907 5.480 1.00 0.00 C ATOM 843 CG GLU A 57 -17.342 3.065 6.077 1.00 0.00 C ATOM 844 CD GLU A 57 -16.447 4.206 6.521 1.00 0.00 C ATOM 845 OE1 GLU A 57 -16.055 5.022 5.662 1.00 0.00 O ATOM 846 OE2 GLU A 57 -16.139 4.281 7.729 1.00 0.00 O ATOM 0 H GLU A 57 -15.293 -0.170 4.922 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.576 0.790 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.503 2.172 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.883 1.754 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.056 3.434 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.919 2.708 6.930 1.00 0.00 H new ATOM 853 N GLU A 58 -18.264 -0.859 5.077 1.00 0.00 N ATOM 854 CA GLU A 58 -19.555 -1.466 4.777 1.00 0.00 C ATOM 855 C GLU A 58 -20.110 -2.196 5.997 1.00 0.00 C ATOM 856 O GLU A 58 -21.322 -2.348 6.147 1.00 0.00 O ATOM 857 CB GLU A 58 -19.427 -2.438 3.602 1.00 0.00 C ATOM 858 CG GLU A 58 -20.527 -2.288 2.565 1.00 0.00 C ATOM 859 CD GLU A 58 -20.206 -1.237 1.521 1.00 0.00 C ATOM 860 OE1 GLU A 58 -20.373 -0.035 1.819 1.00 0.00 O ATOM 861 OE2 GLU A 58 -19.787 -1.615 0.407 1.00 0.00 O ATOM 0 H GLU A 58 -17.498 -1.183 4.486 1.00 0.00 H new ATOM 0 HA GLU A 58 -20.247 -0.669 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.461 -2.286 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.436 -3.459 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.689 -3.246 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -21.459 -2.025 3.065 1.00 0.00 H new ATOM 868 N LYS A 59 -19.212 -2.647 6.867 1.00 0.00 N ATOM 869 CA LYS A 59 -19.609 -3.361 8.075 1.00 0.00 C ATOM 870 C LYS A 59 -20.614 -2.546 8.883 1.00 0.00 C ATOM 871 O LYS A 59 -21.612 -3.079 9.368 1.00 0.00 O ATOM 872 CB LYS A 59 -18.381 -3.673 8.934 1.00 0.00 C ATOM 873 CG LYS A 59 -17.927 -5.119 8.843 1.00 0.00 C ATOM 874 CD LYS A 59 -17.643 -5.702 10.217 1.00 0.00 C ATOM 875 CE LYS A 59 -17.875 -7.205 10.243 1.00 0.00 C ATOM 876 NZ LYS A 59 -19.110 -7.564 10.994 1.00 0.00 N ATOM 0 H LYS A 59 -18.205 -2.531 6.758 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.083 -4.296 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.560 -3.023 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.606 -3.436 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.695 -5.712 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.029 -5.181 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.612 -5.487 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.283 -5.221 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.950 -7.578 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.016 -7.697 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -19.232 -8.597 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.029 -7.230 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.933 -7.116 10.543 1.00 0.00 H new ATOM 890 N SER A 60 -20.345 -1.252 9.023 1.00 0.00 N ATOM 891 CA SER A 60 -21.225 -0.365 9.774 1.00 0.00 C ATOM 892 C SER A 60 -22.383 0.115 8.905 1.00 0.00 C ATOM 893 O SER A 60 -22.959 1.163 9.192 1.00 0.00 O ATOM 894 CB SER A 60 -20.440 0.836 10.306 1.00 0.00 C ATOM 895 OG SER A 60 -19.303 0.417 11.041 1.00 0.00 O ATOM 0 H SER A 60 -19.524 -0.795 8.626 1.00 0.00 H new ATOM 0 HA SER A 60 -21.633 -0.925 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.127 1.467 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.085 1.443 10.942 1.00 0.00 H new ATOM 0 HG SER A 60 -18.818 1.203 11.369 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.756 -1.083 -2.064 1.00 0.00 ZN