USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 452 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 20 ASN : amide:sc=-0.00871 K(o=-0.0087,f=-1.5!) USER MOD Single : A 22 ASN : amide:sc= -0.586 K(o=-0.59,f=-5.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 27 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.007) USER MOD Single : A 28 SER OG : rot 1:sc= 0.441! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -153:sc= 0.955 USER MOD Single : A 39 SER OG : rot 87:sc= 0.927 USER MOD Single : A 44 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.89) USER MOD Single : A 46 ASN : amide:sc= -1.97 K(o=-2,f=-4.1!) USER MOD Single : A 47 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.137) USER MOD Single : A 52 GLN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 43.887 23.214 1.919 1.00 0.00 N ATOM 2 CA GLU A 1 44.443 22.636 3.176 1.00 0.00 C ATOM 3 C GLU A 1 43.769 21.295 3.480 1.00 0.00 C ATOM 4 O GLU A 1 42.808 21.226 4.224 1.00 0.00 O ATOM 5 CB GLU A 1 44.119 23.664 4.261 1.00 0.00 C ATOM 6 CG GLU A 1 45.310 23.798 5.214 1.00 0.00 C ATOM 7 CD GLU A 1 46.432 24.576 4.523 1.00 0.00 C ATOM 8 OE1 GLU A 1 46.149 25.636 3.989 1.00 0.00 O ATOM 9 OE2 GLU A 1 47.554 24.099 4.539 1.00 0.00 O ATOM 0 H1 GLU A 1 44.350 24.124 1.721 1.00 0.00 H new ATOM 0 H2 GLU A 1 44.059 22.559 1.130 1.00 0.00 H new ATOM 0 H3 GLU A 1 42.864 23.363 2.028 1.00 0.00 H new ATOM 0 HA GLU A 1 45.514 22.444 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 1 43.894 24.629 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 1 43.231 23.357 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 1 45.004 24.312 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 1 45.666 22.811 5.509 1.00 0.00 H new ATOM 18 N PHE A 2 44.267 20.230 2.906 1.00 0.00 N ATOM 19 CA PHE A 2 43.664 18.885 3.149 1.00 0.00 C ATOM 20 C PHE A 2 44.621 18.019 3.975 1.00 0.00 C ATOM 21 O PHE A 2 45.579 17.474 3.459 1.00 0.00 O ATOM 22 CB PHE A 2 43.461 18.291 1.754 1.00 0.00 C ATOM 23 CG PHE A 2 42.774 16.952 1.869 1.00 0.00 C ATOM 24 CD1 PHE A 2 41.376 16.877 1.856 1.00 0.00 C ATOM 25 CD2 PHE A 2 43.535 15.783 1.988 1.00 0.00 C ATOM 26 CE1 PHE A 2 40.740 15.634 1.961 1.00 0.00 C ATOM 27 CE2 PHE A 2 42.900 14.540 2.093 1.00 0.00 C ATOM 28 CZ PHE A 2 41.502 14.466 2.080 1.00 0.00 C ATOM 0 H PHE A 2 45.069 20.234 2.276 1.00 0.00 H new ATOM 0 HA PHE A 2 42.730 18.940 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 2 42.862 18.967 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 2 44.422 18.176 1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 2 40.788 17.778 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 2 44.613 15.840 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 2 39.662 15.577 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 2 43.488 13.639 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 2 41.011 13.507 2.162 1.00 0.00 H new ATOM 38 N HIS A 3 44.367 17.896 5.254 1.00 0.00 N ATOM 39 CA HIS A 3 45.256 17.069 6.124 1.00 0.00 C ATOM 40 C HIS A 3 44.864 15.591 6.034 1.00 0.00 C ATOM 41 O HIS A 3 45.633 14.763 5.584 1.00 0.00 O ATOM 42 CB HIS A 3 45.029 17.602 7.542 1.00 0.00 C ATOM 43 CG HIS A 3 45.952 16.898 8.500 1.00 0.00 C ATOM 44 ND1 HIS A 3 45.535 16.468 9.751 1.00 0.00 N ATOM 45 CD2 HIS A 3 47.275 16.541 8.405 1.00 0.00 C ATOM 46 CE1 HIS A 3 46.587 15.882 10.351 1.00 0.00 C ATOM 47 NE2 HIS A 3 47.673 15.900 9.574 1.00 0.00 N ATOM 0 H HIS A 3 43.580 18.334 5.733 1.00 0.00 H new ATOM 0 HA HIS A 3 46.302 17.135 5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.210 18.677 7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 3 43.992 17.445 7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.910 16.729 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.557 15.450 11.340 1.00 0.00 H new ATOM 0 HE2 HIS A 3 48.596 15.524 9.791 1.00 0.00 H new ATOM 55 N GLY A 4 43.670 15.256 6.459 1.00 0.00 N ATOM 56 CA GLY A 4 43.219 13.834 6.403 1.00 0.00 C ATOM 57 C GLY A 4 43.937 13.024 7.498 1.00 0.00 C ATOM 58 O GLY A 4 44.789 13.558 8.180 1.00 0.00 O ATOM 0 H GLY A 4 42.988 15.910 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 42.140 13.778 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 43.435 13.411 5.422 1.00 0.00 H new ATOM 62 N PRO A 5 43.585 11.755 7.648 1.00 0.00 N ATOM 63 CA PRO A 5 44.237 10.918 8.682 1.00 0.00 C ATOM 64 C PRO A 5 45.737 10.794 8.399 1.00 0.00 C ATOM 65 O PRO A 5 46.313 11.611 7.707 1.00 0.00 O ATOM 66 CB PRO A 5 43.529 9.567 8.530 1.00 0.00 C ATOM 67 CG PRO A 5 42.485 9.677 7.404 1.00 0.00 C ATOM 68 CD PRO A 5 42.541 11.094 6.815 1.00 0.00 C ATOM 0 HA PRO A 5 44.158 11.326 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.253 8.786 8.298 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.046 9.287 9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 5 42.686 8.938 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 5 41.488 9.468 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 5 42.812 11.083 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 5 41.580 11.603 6.892 1.00 0.00 H new ATOM 76 N SER A 6 46.371 9.779 8.932 1.00 0.00 N ATOM 77 CA SER A 6 47.835 9.601 8.699 1.00 0.00 C ATOM 78 C SER A 6 48.124 8.206 8.140 1.00 0.00 C ATOM 79 O SER A 6 49.171 7.636 8.386 1.00 0.00 O ATOM 80 CB SER A 6 48.474 9.771 10.076 1.00 0.00 C ATOM 81 OG SER A 6 48.359 11.130 10.483 1.00 0.00 O ATOM 0 H SER A 6 45.937 9.066 9.518 1.00 0.00 H new ATOM 0 HA SER A 6 48.226 10.315 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 47.984 9.120 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.523 9.477 10.042 1.00 0.00 H new ATOM 0 HG SER A 6 48.767 11.242 11.367 1.00 0.00 H new ATOM 87 N TRP A 7 47.206 7.656 7.388 1.00 0.00 N ATOM 88 CA TRP A 7 47.423 6.296 6.805 1.00 0.00 C ATOM 89 C TRP A 7 46.816 6.214 5.400 1.00 0.00 C ATOM 90 O TRP A 7 46.416 5.157 4.949 1.00 0.00 O ATOM 91 CB TRP A 7 46.739 5.302 7.762 1.00 0.00 C ATOM 92 CG TRP A 7 45.330 5.719 8.058 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.963 6.542 9.067 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.101 5.343 7.371 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.589 6.697 9.042 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.013 5.980 8.014 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.827 4.522 6.263 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.701 5.807 7.575 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.507 4.345 5.818 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.446 4.988 6.472 1.00 0.00 C ATOM 0 H TRP A 7 46.314 8.090 7.152 1.00 0.00 H new ATOM 0 HA TRP A 7 48.484 6.069 6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.741 4.306 7.319 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.305 5.239 8.691 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.634 7.003 9.777 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.066 7.271 9.703 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.637 4.024 5.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.887 6.303 8.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.308 3.710 4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.433 4.850 6.124 1.00 0.00 H new ATOM 111 N CYS A 8 46.763 7.321 4.702 1.00 0.00 N ATOM 112 CA CYS A 8 46.203 7.316 3.316 1.00 0.00 C ATOM 113 C CYS A 8 47.322 7.611 2.314 1.00 0.00 C ATOM 114 O CYS A 8 47.337 7.090 1.215 1.00 0.00 O ATOM 115 CB CYS A 8 45.152 8.427 3.296 1.00 0.00 C ATOM 116 SG CYS A 8 44.316 8.453 1.687 1.00 0.00 S ATOM 0 H CYS A 8 47.084 8.230 5.034 1.00 0.00 H new ATOM 0 HA CYS A 8 45.767 6.354 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.424 8.266 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.625 9.391 3.486 1.00 0.00 H new ATOM 121 N LEU A 9 48.264 8.437 2.696 1.00 0.00 N ATOM 122 CA LEU A 9 49.397 8.766 1.780 1.00 0.00 C ATOM 123 C LEU A 9 50.694 8.124 2.293 1.00 0.00 C ATOM 124 O LEU A 9 51.783 8.571 1.981 1.00 0.00 O ATOM 125 CB LEU A 9 49.500 10.292 1.811 1.00 0.00 C ATOM 126 CG LEU A 9 48.241 10.906 1.199 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.144 12.377 1.608 1.00 0.00 C ATOM 128 CD2 LEU A 9 48.308 10.806 -0.327 1.00 0.00 C ATOM 0 H LEU A 9 48.296 8.898 3.605 1.00 0.00 H new ATOM 0 HA LEU A 9 49.237 8.391 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.622 10.637 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.381 10.618 1.258 1.00 0.00 H new ATOM 0 HG LEU A 9 47.364 10.367 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.247 12.817 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.094 12.450 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.022 12.913 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 9 47.409 11.245 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.185 11.344 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 48.378 9.759 -0.620 1.00 0.00 H new ATOM 140 N THR A 10 50.581 7.080 3.077 1.00 0.00 N ATOM 141 CA THR A 10 51.798 6.403 3.616 1.00 0.00 C ATOM 142 C THR A 10 52.168 5.193 2.733 1.00 0.00 C ATOM 143 O THR A 10 51.293 4.598 2.136 1.00 0.00 O ATOM 144 CB THR A 10 51.408 5.954 5.033 1.00 0.00 C ATOM 145 OG1 THR A 10 52.507 5.295 5.643 1.00 0.00 O ATOM 146 CG2 THR A 10 50.211 4.999 4.980 1.00 0.00 C ATOM 0 H THR A 10 49.694 6.667 3.367 1.00 0.00 H new ATOM 0 HA THR A 10 52.669 7.058 3.628 1.00 0.00 H new ATOM 0 HB THR A 10 51.135 6.834 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.257 5.011 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.947 4.690 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.361 5.505 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.472 4.121 4.389 1.00 0.00 H new ATOM 154 N PRO A 11 53.448 4.850 2.663 1.00 0.00 N ATOM 155 CA PRO A 11 53.865 3.696 1.830 1.00 0.00 C ATOM 156 C PRO A 11 53.165 2.413 2.292 1.00 0.00 C ATOM 157 O PRO A 11 52.780 2.287 3.439 1.00 0.00 O ATOM 158 CB PRO A 11 55.376 3.622 2.073 1.00 0.00 C ATOM 159 CG PRO A 11 55.780 4.747 3.044 1.00 0.00 C ATOM 160 CD PRO A 11 54.533 5.571 3.390 1.00 0.00 C ATOM 0 HA PRO A 11 53.609 3.807 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.644 2.651 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.915 3.725 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.217 4.326 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.539 5.384 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.351 5.598 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.626 6.605 3.056 1.00 0.00 H new ATOM 168 N ALA A 12 53.003 1.465 1.404 1.00 0.00 N ATOM 169 CA ALA A 12 52.329 0.185 1.783 1.00 0.00 C ATOM 170 C ALA A 12 53.199 -0.592 2.773 1.00 0.00 C ATOM 171 O ALA A 12 54.285 -1.032 2.446 1.00 0.00 O ATOM 172 CB ALA A 12 52.177 -0.595 0.474 1.00 0.00 C ATOM 0 H ALA A 12 53.308 1.522 0.432 1.00 0.00 H new ATOM 0 HA ALA A 12 51.366 0.354 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 12 51.689 -1.549 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 12 51.573 -0.017 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.161 -0.775 0.041 1.00 0.00 H new ATOM 178 N ASP A 13 52.728 -0.761 3.981 1.00 0.00 N ATOM 179 CA ASP A 13 53.521 -1.508 5.002 1.00 0.00 C ATOM 180 C ASP A 13 53.430 -3.014 4.749 1.00 0.00 C ATOM 181 O ASP A 13 52.365 -3.599 4.820 1.00 0.00 O ATOM 182 CB ASP A 13 52.877 -1.153 6.345 1.00 0.00 C ATOM 183 CG ASP A 13 53.958 -1.062 7.424 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.282 -2.089 7.998 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.442 0.032 7.658 1.00 0.00 O ATOM 0 H ASP A 13 51.826 -0.413 4.305 1.00 0.00 H new ATOM 0 HA ASP A 13 54.578 -1.244 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.347 -0.204 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.140 -1.908 6.617 1.00 0.00 H new ATOM 190 N ARG A 14 54.543 -3.649 4.463 1.00 0.00 N ATOM 191 CA ARG A 14 54.528 -5.128 4.216 1.00 0.00 C ATOM 192 C ARG A 14 53.927 -5.850 5.425 1.00 0.00 C ATOM 193 O ARG A 14 53.330 -6.904 5.302 1.00 0.00 O ATOM 194 CB ARG A 14 55.998 -5.528 4.025 1.00 0.00 C ATOM 195 CG ARG A 14 56.802 -5.205 5.291 1.00 0.00 C ATOM 196 CD ARG A 14 58.298 -5.252 4.978 1.00 0.00 C ATOM 197 NE ARG A 14 58.968 -4.858 6.249 1.00 0.00 N ATOM 198 CZ ARG A 14 59.884 -3.929 6.241 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.554 -2.691 5.997 1.00 0.00 N ATOM 200 NH2 ARG A 14 61.129 -4.239 6.477 1.00 0.00 N ATOM 0 H ARG A 14 55.460 -3.208 4.390 1.00 0.00 H new ATOM 0 HA ARG A 14 53.926 -5.394 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.067 -6.593 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.420 -4.996 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.530 -4.218 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.563 -5.920 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 14 58.604 -6.249 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.554 -4.569 4.168 1.00 0.00 H new ATOM 0 HE ARG A 14 58.711 -5.314 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.580 -2.450 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.270 -1.964 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 14 61.386 -5.207 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 14 61.845 -3.513 6.471 1.00 0.00 H new ATOM 214 N GLY A 15 54.082 -5.277 6.591 1.00 0.00 N ATOM 215 CA GLY A 15 53.523 -5.905 7.817 1.00 0.00 C ATOM 216 C GLY A 15 54.658 -6.390 8.715 1.00 0.00 C ATOM 217 O GLY A 15 55.635 -5.700 8.937 1.00 0.00 O ATOM 0 H GLY A 15 54.575 -4.397 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 15 52.904 -5.187 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 52.879 -6.742 7.546 1.00 0.00 H new ATOM 221 N LEU A 16 54.521 -7.577 9.236 1.00 0.00 N ATOM 222 CA LEU A 16 55.566 -8.143 10.138 1.00 0.00 C ATOM 223 C LEU A 16 55.763 -9.628 9.826 1.00 0.00 C ATOM 224 O LEU A 16 56.862 -10.103 9.620 1.00 0.00 O ATOM 225 CB LEU A 16 54.977 -7.973 11.538 1.00 0.00 C ATOM 226 CG LEU A 16 55.328 -6.591 12.090 1.00 0.00 C ATOM 227 CD1 LEU A 16 54.220 -6.130 13.042 1.00 0.00 C ATOM 228 CD2 LEU A 16 56.654 -6.675 12.848 1.00 0.00 C ATOM 0 H LEU A 16 53.720 -8.187 9.074 1.00 0.00 H new ATOM 0 HA LEU A 16 56.535 -7.657 10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 16 53.894 -8.095 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.364 -8.747 12.201 1.00 0.00 H new ATOM 0 HG LEU A 16 55.421 -5.878 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.467 -5.145 13.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 53.275 -6.078 12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.129 -6.839 13.865 1.00 0.00 H new ATOM 0 HD21 LEU A 16 56.910 -5.692 13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.559 -7.384 13.670 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.440 -7.009 12.170 1.00 0.00 H new ATOM 240 N CYS A 17 54.682 -10.347 9.789 1.00 0.00 N ATOM 241 CA CYS A 17 54.720 -11.809 9.490 1.00 0.00 C ATOM 242 C CYS A 17 55.266 -12.029 8.074 1.00 0.00 C ATOM 243 O CYS A 17 55.840 -11.136 7.480 1.00 0.00 O ATOM 244 CB CYS A 17 53.251 -12.264 9.562 1.00 0.00 C ATOM 245 SG CYS A 17 52.706 -12.421 11.288 1.00 0.00 S ATOM 0 H CYS A 17 53.747 -9.976 9.957 1.00 0.00 H new ATOM 0 HA CYS A 17 55.357 -12.361 10.181 1.00 0.00 H new ATOM 0 HB2 CYS A 17 52.618 -11.547 9.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.137 -13.220 9.052 1.00 0.00 H new ATOM 250 N ARG A 18 55.076 -13.203 7.524 1.00 0.00 N ATOM 251 CA ARG A 18 55.562 -13.480 6.140 1.00 0.00 C ATOM 252 C ARG A 18 54.476 -14.223 5.353 1.00 0.00 C ATOM 253 O ARG A 18 54.111 -15.335 5.687 1.00 0.00 O ATOM 254 CB ARG A 18 56.799 -14.362 6.316 1.00 0.00 C ATOM 255 CG ARG A 18 58.058 -13.488 6.377 1.00 0.00 C ATOM 256 CD ARG A 18 59.181 -14.144 5.567 1.00 0.00 C ATOM 257 NE ARG A 18 59.502 -15.403 6.300 1.00 0.00 N ATOM 258 CZ ARG A 18 60.742 -15.804 6.400 1.00 0.00 C ATOM 259 NH1 ARG A 18 61.539 -15.722 5.370 1.00 0.00 N ATOM 260 NH2 ARG A 18 61.184 -16.287 7.529 1.00 0.00 N ATOM 0 H ARG A 18 54.603 -13.984 7.978 1.00 0.00 H new ATOM 0 HA ARG A 18 55.796 -12.569 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.710 -14.951 7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.875 -15.067 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.843 -12.495 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.372 -13.357 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 18 58.861 -14.352 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 18 60.052 -13.493 5.501 1.00 0.00 H new ATOM 0 HE ARG A 18 58.753 -15.951 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.194 -15.345 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.507 -16.035 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.562 -16.352 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 18 62.152 -16.600 7.606 1.00 0.00 H new ATOM 274 N ALA A 19 53.954 -13.613 4.317 1.00 0.00 N ATOM 275 CA ALA A 19 52.888 -14.282 3.509 1.00 0.00 C ATOM 276 C ALA A 19 52.759 -13.619 2.133 1.00 0.00 C ATOM 277 O ALA A 19 52.873 -12.414 2.002 1.00 0.00 O ATOM 278 CB ALA A 19 51.597 -14.107 4.318 1.00 0.00 C ATOM 0 H ALA A 19 54.220 -12.682 3.997 1.00 0.00 H new ATOM 0 HA ALA A 19 53.113 -15.333 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 50.768 -14.574 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.713 -14.578 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.391 -13.045 4.449 1.00 0.00 H new ATOM 284 N ASN A 20 52.521 -14.400 1.111 1.00 0.00 N ATOM 285 CA ASN A 20 52.380 -13.831 -0.264 1.00 0.00 C ATOM 286 C ASN A 20 50.915 -13.482 -0.555 1.00 0.00 C ATOM 287 O ASN A 20 50.309 -14.027 -1.462 1.00 0.00 O ATOM 288 CB ASN A 20 52.871 -14.937 -1.201 1.00 0.00 C ATOM 289 CG ASN A 20 54.387 -15.099 -1.055 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.065 -14.203 -0.591 1.00 0.00 O ATOM 291 ND2 ASN A 20 54.951 -16.212 -1.436 1.00 0.00 N ATOM 0 H ASN A 20 52.418 -15.413 1.170 1.00 0.00 H new ATOM 0 HA ASN A 20 52.948 -12.909 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.370 -15.876 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 20 52.619 -14.692 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 20 55.960 -16.330 -1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 20 54.383 -16.964 -1.825 1.00 0.00 H new ATOM 298 N GLU A 21 50.345 -12.579 0.202 1.00 0.00 N ATOM 299 CA GLU A 21 48.919 -12.191 -0.031 1.00 0.00 C ATOM 300 C GLU A 21 48.834 -11.159 -1.159 1.00 0.00 C ATOM 301 O GLU A 21 49.797 -10.914 -1.860 1.00 0.00 O ATOM 302 CB GLU A 21 48.449 -11.589 1.293 1.00 0.00 C ATOM 303 CG GLU A 21 47.915 -12.703 2.197 1.00 0.00 C ATOM 304 CD GLU A 21 47.033 -12.098 3.290 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.568 -11.748 4.329 1.00 0.00 O ATOM 306 OE2 GLU A 21 45.838 -11.996 3.069 1.00 0.00 O ATOM 0 H GLU A 21 50.805 -12.093 0.972 1.00 0.00 H new ATOM 0 HA GLU A 21 48.301 -13.038 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.274 -11.072 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.671 -10.848 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.342 -13.420 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 21 48.744 -13.250 2.646 1.00 0.00 H new ATOM 313 N ASN A 22 47.687 -10.554 -1.338 1.00 0.00 N ATOM 314 CA ASN A 22 47.532 -9.534 -2.418 1.00 0.00 C ATOM 315 C ASN A 22 46.616 -8.401 -1.950 1.00 0.00 C ATOM 316 O ASN A 22 45.451 -8.351 -2.295 1.00 0.00 O ATOM 317 CB ASN A 22 46.900 -10.287 -3.590 1.00 0.00 C ATOM 318 CG ASN A 22 47.263 -9.585 -4.900 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.466 -8.387 -4.925 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.358 -10.285 -5.997 1.00 0.00 N ATOM 0 H ASN A 22 46.849 -10.723 -0.781 1.00 0.00 H new ATOM 0 HA ASN A 22 48.483 -9.078 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.253 -11.318 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 22 45.817 -10.323 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 22 47.603 -9.827 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 22 47.188 -11.290 -5.977 1.00 0.00 H new ATOM 327 N ARG A 23 47.138 -7.492 -1.168 1.00 0.00 N ATOM 328 CA ARG A 23 46.309 -6.354 -0.670 1.00 0.00 C ATOM 329 C ARG A 23 46.397 -5.176 -1.649 1.00 0.00 C ATOM 330 O ARG A 23 47.330 -5.076 -2.420 1.00 0.00 O ATOM 331 CB ARG A 23 46.920 -5.987 0.683 1.00 0.00 C ATOM 332 CG ARG A 23 46.605 -7.087 1.700 1.00 0.00 C ATOM 333 CD ARG A 23 45.147 -6.972 2.146 1.00 0.00 C ATOM 334 NE ARG A 23 44.827 -8.295 2.749 1.00 0.00 N ATOM 335 CZ ARG A 23 44.106 -8.364 3.835 1.00 0.00 C ATOM 336 NH1 ARG A 23 42.806 -8.321 3.756 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.687 -8.474 5.000 1.00 0.00 N ATOM 0 H ARG A 23 48.108 -7.489 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 23 45.253 -6.610 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 23 47.999 -5.865 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.521 -5.033 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.784 -8.067 1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.267 -7.000 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.017 -6.166 2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.492 -6.753 1.303 1.00 0.00 H new ATOM 0 HE ARG A 23 45.172 -9.150 2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 23 42.353 -8.234 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.241 -8.375 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 23 45.705 -8.506 5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 23 44.123 -8.528 5.848 1.00 0.00 H new ATOM 351 N PHE A 24 45.427 -4.295 -1.632 1.00 0.00 N ATOM 352 CA PHE A 24 45.449 -3.128 -2.569 1.00 0.00 C ATOM 353 C PHE A 24 46.134 -1.914 -1.924 1.00 0.00 C ATOM 354 O PHE A 24 45.633 -1.340 -0.975 1.00 0.00 O ATOM 355 CB PHE A 24 43.978 -2.828 -2.865 1.00 0.00 C ATOM 356 CG PHE A 24 43.564 -3.551 -4.126 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.727 -4.939 -4.222 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.025 -2.834 -5.201 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.350 -5.609 -5.393 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.646 -3.504 -6.370 1.00 0.00 C ATOM 361 CZ PHE A 24 42.810 -4.891 -6.466 1.00 0.00 C ATOM 0 H PHE A 24 44.620 -4.333 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 24 46.013 -3.348 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.355 -3.146 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.831 -1.754 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.143 -5.492 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.902 -1.764 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.476 -6.679 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.227 -2.951 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.520 -5.407 -7.369 1.00 0.00 H new ATOM 371 N TYR A 25 47.270 -1.517 -2.443 1.00 0.00 N ATOM 372 CA TYR A 25 47.992 -0.333 -1.880 1.00 0.00 C ATOM 373 C TYR A 25 47.543 0.942 -2.607 1.00 0.00 C ATOM 374 O TYR A 25 47.356 0.948 -3.809 1.00 0.00 O ATOM 375 CB TYR A 25 49.484 -0.630 -2.127 1.00 0.00 C ATOM 376 CG TYR A 25 50.336 0.597 -1.876 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.180 1.336 -0.698 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.285 0.989 -2.828 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.973 2.468 -0.472 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.076 2.119 -2.603 1.00 0.00 C ATOM 381 CZ TYR A 25 51.920 2.860 -1.427 1.00 0.00 C ATOM 382 OH TYR A 25 52.701 3.976 -1.209 1.00 0.00 O ATOM 0 H TYR A 25 47.730 -1.964 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 25 47.790 -0.173 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.809 -1.441 -1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.625 -0.970 -3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.448 1.034 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.406 0.418 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.855 3.038 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.808 2.420 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 25 53.306 4.106 -1.969 1.00 0.00 H new ATOM 392 N TYR A 26 47.382 2.021 -1.883 1.00 0.00 N ATOM 393 CA TYR A 26 46.958 3.304 -2.518 1.00 0.00 C ATOM 394 C TYR A 26 48.193 4.133 -2.888 1.00 0.00 C ATOM 395 O TYR A 26 48.836 4.717 -2.034 1.00 0.00 O ATOM 396 CB TYR A 26 46.121 4.015 -1.448 1.00 0.00 C ATOM 397 CG TYR A 26 45.661 5.362 -1.961 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.477 5.465 -2.702 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.420 6.507 -1.691 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.055 6.715 -3.175 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.998 7.755 -2.164 1.00 0.00 C ATOM 402 CZ TYR A 26 44.815 7.860 -2.905 1.00 0.00 C ATOM 403 OH TYR A 26 44.399 9.090 -3.371 1.00 0.00 O ATOM 0 H TYR A 26 47.527 2.067 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 26 46.391 3.153 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.258 3.403 -1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.710 4.144 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.890 4.582 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.332 6.427 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.143 6.795 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.585 8.637 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 26 45.040 9.778 -3.095 1.00 0.00 H new ATOM 413 N ASN A 27 48.524 4.188 -4.153 1.00 0.00 N ATOM 414 CA ASN A 27 49.716 4.979 -4.585 1.00 0.00 C ATOM 415 C ASN A 27 49.453 6.474 -4.376 1.00 0.00 C ATOM 416 O ASN A 27 48.540 7.037 -4.949 1.00 0.00 O ATOM 417 CB ASN A 27 49.896 4.662 -6.076 1.00 0.00 C ATOM 418 CG ASN A 27 51.348 4.257 -6.349 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.628 3.109 -6.631 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.288 5.159 -6.274 1.00 0.00 N ATOM 0 H ASN A 27 48.020 3.719 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 27 50.609 4.728 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.223 3.857 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.633 5.533 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 27 53.258 4.900 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 27 52.052 6.123 -6.037 1.00 0.00 H new ATOM 427 N SER A 28 50.249 7.116 -3.558 1.00 0.00 N ATOM 428 CA SER A 28 50.051 8.576 -3.305 1.00 0.00 C ATOM 429 C SER A 28 50.624 9.422 -4.454 1.00 0.00 C ATOM 430 O SER A 28 50.557 10.637 -4.421 1.00 0.00 O ATOM 431 CB SER A 28 50.803 8.860 -2.006 1.00 0.00 C ATOM 432 OG SER A 28 50.983 10.262 -1.864 1.00 0.00 O ATOM 0 H SER A 28 51.028 6.692 -3.054 1.00 0.00 H new ATOM 0 HA SER A 28 48.994 8.831 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.246 8.465 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.770 8.357 -2.015 1.00 0.00 H new ATOM 0 HG SER A 28 50.573 10.723 -2.625 1.00 0.00 H new ATOM 438 N VAL A 29 51.182 8.799 -5.469 1.00 0.00 N ATOM 439 CA VAL A 29 51.746 9.579 -6.610 1.00 0.00 C ATOM 440 C VAL A 29 50.746 9.584 -7.769 1.00 0.00 C ATOM 441 O VAL A 29 50.320 10.629 -8.226 1.00 0.00 O ATOM 442 CB VAL A 29 53.034 8.845 -7.002 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.703 9.565 -8.176 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.996 8.826 -5.809 1.00 0.00 C ATOM 0 H VAL A 29 51.269 7.786 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 29 51.945 10.619 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 29 52.789 7.824 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.618 9.040 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.023 9.581 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.945 10.587 -7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.911 8.304 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.236 9.849 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.526 8.311 -4.971 1.00 0.00 H new ATOM 454 N ILE A 30 50.366 8.423 -8.237 1.00 0.00 N ATOM 455 CA ILE A 30 49.386 8.352 -9.363 1.00 0.00 C ATOM 456 C ILE A 30 47.954 8.280 -8.815 1.00 0.00 C ATOM 457 O ILE A 30 47.021 8.750 -9.440 1.00 0.00 O ATOM 458 CB ILE A 30 49.748 7.087 -10.154 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.652 5.844 -9.260 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.176 7.214 -10.686 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.677 4.590 -10.135 1.00 0.00 C ATOM 0 H ILE A 30 50.692 7.521 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 30 49.430 9.235 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 30 49.047 6.980 -10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.482 5.825 -8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.734 5.874 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.436 6.317 -11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.245 8.084 -11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.866 7.331 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.609 3.704 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.833 4.610 -10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.607 4.561 -10.702 1.00 0.00 H new ATOM 473 N GLY A 31 47.776 7.700 -7.655 1.00 0.00 N ATOM 474 CA GLY A 31 46.408 7.598 -7.061 1.00 0.00 C ATOM 475 C GLY A 31 45.851 6.198 -7.308 1.00 0.00 C ATOM 476 O GLY A 31 45.123 5.654 -6.499 1.00 0.00 O ATOM 0 H GLY A 31 48.522 7.291 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.448 7.802 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.751 8.346 -7.504 1.00 0.00 H new ATOM 480 N LYS A 32 46.195 5.611 -8.425 1.00 0.00 N ATOM 481 CA LYS A 32 45.700 4.233 -8.750 1.00 0.00 C ATOM 482 C LYS A 32 46.086 3.259 -7.617 1.00 0.00 C ATOM 483 O LYS A 32 47.210 3.250 -7.152 1.00 0.00 O ATOM 484 CB LYS A 32 46.374 3.897 -10.113 1.00 0.00 C ATOM 485 CG LYS A 32 46.922 2.458 -10.173 1.00 0.00 C ATOM 486 CD LYS A 32 45.764 1.458 -10.096 1.00 0.00 C ATOM 487 CE LYS A 32 46.031 0.290 -11.050 1.00 0.00 C ATOM 488 NZ LYS A 32 44.920 -0.671 -10.804 1.00 0.00 N ATOM 0 H LYS A 32 46.801 6.027 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 32 44.616 4.156 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 45.650 4.038 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 32 47.189 4.598 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 32 47.481 2.310 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 32 47.616 2.289 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 32 45.655 1.090 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 32 44.827 1.949 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 32 46.042 0.623 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 32 47.000 -0.168 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 45.034 -1.499 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 44.938 -0.976 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 44.010 -0.210 -11.008 1.00 0.00 H new ATOM 502 N CYS A 33 45.156 2.444 -7.184 1.00 0.00 N ATOM 503 CA CYS A 33 45.458 1.471 -6.093 1.00 0.00 C ATOM 504 C CYS A 33 46.132 0.226 -6.680 1.00 0.00 C ATOM 505 O CYS A 33 45.484 -0.624 -7.260 1.00 0.00 O ATOM 506 CB CYS A 33 44.098 1.119 -5.487 1.00 0.00 C ATOM 507 SG CYS A 33 44.295 0.775 -3.720 1.00 0.00 S ATOM 0 H CYS A 33 44.201 2.412 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 33 46.137 1.878 -5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.399 1.943 -5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.676 0.250 -5.993 1.00 0.00 H new ATOM 512 N ARG A 34 47.430 0.123 -6.540 1.00 0.00 N ATOM 513 CA ARG A 34 48.157 -1.058 -7.096 1.00 0.00 C ATOM 514 C ARG A 34 48.250 -2.181 -6.036 1.00 0.00 C ATOM 515 O ARG A 34 48.668 -1.917 -4.928 1.00 0.00 O ATOM 516 CB ARG A 34 49.552 -0.532 -7.440 1.00 0.00 C ATOM 517 CG ARG A 34 49.457 0.432 -8.629 1.00 0.00 C ATOM 518 CD ARG A 34 50.668 0.240 -9.546 1.00 0.00 C ATOM 519 NE ARG A 34 50.169 -0.601 -10.669 1.00 0.00 N ATOM 520 CZ ARG A 34 50.872 -1.618 -11.086 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.214 -2.562 -10.252 1.00 0.00 N ATOM 522 NH2 ARG A 34 51.234 -1.690 -12.338 1.00 0.00 N ATOM 0 H ARG A 34 48.018 0.807 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 34 47.652 -1.483 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.983 -0.022 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.215 -1.362 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.536 0.251 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 34 49.418 1.461 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.046 1.197 -9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.488 -0.249 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 34 49.277 -0.382 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.932 -2.505 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 34 51.764 -3.357 -10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 34 50.967 -0.952 -12.989 1.00 0.00 H new ATOM 0 HH22 ARG A 34 51.784 -2.485 -12.665 1.00 0.00 H new ATOM 536 N PRO A 35 47.866 -3.406 -6.385 1.00 0.00 N ATOM 537 CA PRO A 35 47.939 -4.516 -5.400 1.00 0.00 C ATOM 538 C PRO A 35 49.398 -4.846 -5.064 1.00 0.00 C ATOM 539 O PRO A 35 50.278 -4.725 -5.895 1.00 0.00 O ATOM 540 CB PRO A 35 47.273 -5.680 -6.147 1.00 0.00 C ATOM 541 CG PRO A 35 46.847 -5.192 -7.543 1.00 0.00 C ATOM 542 CD PRO A 35 47.342 -3.756 -7.735 1.00 0.00 C ATOM 0 HA PRO A 35 47.460 -4.284 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.965 -6.518 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.406 -6.039 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.264 -5.841 -8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.762 -5.234 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.117 -3.694 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.537 -3.088 -8.043 1.00 0.00 H new ATOM 550 N PHE A 36 49.652 -5.280 -3.854 1.00 0.00 N ATOM 551 CA PHE A 36 51.045 -5.642 -3.458 1.00 0.00 C ATOM 552 C PHE A 36 51.023 -6.916 -2.606 1.00 0.00 C ATOM 553 O PHE A 36 49.969 -7.404 -2.239 1.00 0.00 O ATOM 554 CB PHE A 36 51.584 -4.435 -2.666 1.00 0.00 C ATOM 555 CG PHE A 36 50.842 -4.267 -1.355 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.513 -3.835 -1.352 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.491 -4.542 -0.146 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.831 -3.672 -0.141 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.809 -4.381 1.067 1.00 0.00 C ATOM 560 CZ PHE A 36 49.480 -3.946 1.070 1.00 0.00 C ATOM 0 H PHE A 36 48.951 -5.399 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 36 51.683 -5.850 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.648 -4.570 -2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.482 -3.529 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.012 -3.627 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.517 -4.878 -0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.805 -3.335 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.310 -4.593 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 36 48.954 -3.821 2.005 1.00 0.00 H new ATOM 570 N LYS A 37 52.171 -7.461 -2.296 1.00 0.00 N ATOM 571 CA LYS A 37 52.212 -8.709 -1.477 1.00 0.00 C ATOM 572 C LYS A 37 52.327 -8.375 0.013 1.00 0.00 C ATOM 573 O LYS A 37 53.406 -8.144 0.526 1.00 0.00 O ATOM 574 CB LYS A 37 53.454 -9.464 -1.959 1.00 0.00 C ATOM 575 CG LYS A 37 53.029 -10.655 -2.824 1.00 0.00 C ATOM 576 CD LYS A 37 54.271 -11.367 -3.362 1.00 0.00 C ATOM 577 CE LYS A 37 53.957 -11.985 -4.728 1.00 0.00 C ATOM 578 NZ LYS A 37 55.203 -11.811 -5.523 1.00 0.00 N ATOM 0 H LYS A 37 53.082 -7.096 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 37 51.305 -9.302 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.098 -8.797 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.035 -9.811 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.426 -11.348 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.407 -10.313 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.097 -10.661 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.589 -12.142 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.692 -13.038 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.112 -11.486 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.067 -12.210 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.426 -10.798 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.988 -12.303 -5.050 1.00 0.00 H new ATOM 592 N TYR A 38 51.218 -8.366 0.709 1.00 0.00 N ATOM 593 CA TYR A 38 51.246 -8.068 2.170 1.00 0.00 C ATOM 594 C TYR A 38 51.492 -9.364 2.949 1.00 0.00 C ATOM 595 O TYR A 38 51.328 -10.450 2.423 1.00 0.00 O ATOM 596 CB TYR A 38 49.861 -7.497 2.487 1.00 0.00 C ATOM 597 CG TYR A 38 49.789 -7.113 3.947 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.701 -6.192 4.476 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.809 -7.681 4.772 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.633 -5.838 5.830 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.742 -7.327 6.125 1.00 0.00 C ATOM 602 CZ TYR A 38 49.654 -6.406 6.654 1.00 0.00 C ATOM 603 OH TYR A 38 49.587 -6.057 7.987 1.00 0.00 O ATOM 0 H TYR A 38 50.292 -8.553 0.325 1.00 0.00 H new ATOM 0 HA TYR A 38 52.037 -7.370 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.665 -6.626 1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.092 -8.234 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.457 -5.754 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.105 -8.392 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.336 -5.127 6.238 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.987 -7.765 6.761 1.00 0.00 H new ATOM 0 HH TYR A 38 49.191 -6.793 8.498 1.00 0.00 H new ATOM 613 N SER A 39 51.887 -9.260 4.191 1.00 0.00 N ATOM 614 CA SER A 39 52.148 -10.487 5.004 1.00 0.00 C ATOM 615 C SER A 39 50.891 -10.884 5.785 1.00 0.00 C ATOM 616 O SER A 39 49.838 -10.295 5.623 1.00 0.00 O ATOM 617 CB SER A 39 53.276 -10.091 5.956 1.00 0.00 C ATOM 618 OG SER A 39 54.340 -9.518 5.209 1.00 0.00 O ATOM 0 H SER A 39 52.041 -8.378 4.679 1.00 0.00 H new ATOM 0 HA SER A 39 52.417 -11.345 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.910 -9.379 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.630 -10.965 6.503 1.00 0.00 H new ATOM 0 HG SER A 39 54.180 -8.558 5.096 1.00 0.00 H new ATOM 624 N GLY A 40 50.996 -11.878 6.634 1.00 0.00 N ATOM 625 CA GLY A 40 49.812 -12.319 7.432 1.00 0.00 C ATOM 626 C GLY A 40 49.954 -11.810 8.871 1.00 0.00 C ATOM 627 O GLY A 40 50.177 -12.578 9.789 1.00 0.00 O ATOM 0 H GLY A 40 51.853 -12.403 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 40 48.895 -11.934 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.738 -13.406 7.424 1.00 0.00 H new ATOM 631 N CYS A 41 49.843 -10.521 9.069 1.00 0.00 N ATOM 632 CA CYS A 41 49.993 -9.948 10.448 1.00 0.00 C ATOM 633 C CYS A 41 49.178 -8.648 10.579 1.00 0.00 C ATOM 634 O CYS A 41 48.223 -8.427 9.858 1.00 0.00 O ATOM 635 CB CYS A 41 51.493 -9.648 10.571 1.00 0.00 C ATOM 636 SG CYS A 41 52.229 -10.565 11.960 1.00 0.00 S ATOM 0 H CYS A 41 49.655 -9.837 8.336 1.00 0.00 H new ATOM 0 HA CYS A 41 49.635 -10.625 11.223 1.00 0.00 H new ATOM 0 HB2 CYS A 41 51.999 -9.918 9.644 1.00 0.00 H new ATOM 0 HB3 CYS A 41 51.643 -8.578 10.717 1.00 0.00 H new ATOM 641 N GLY A 42 49.564 -7.786 11.493 1.00 0.00 N ATOM 642 CA GLY A 42 48.838 -6.497 11.679 1.00 0.00 C ATOM 643 C GLY A 42 49.840 -5.334 11.664 1.00 0.00 C ATOM 644 O GLY A 42 50.196 -4.800 12.697 1.00 0.00 O ATOM 0 H GLY A 42 50.357 -7.926 12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 42 48.101 -6.366 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 48.293 -6.508 12.623 1.00 0.00 H new ATOM 648 N GLY A 43 50.299 -4.944 10.499 1.00 0.00 N ATOM 649 CA GLY A 43 51.281 -3.820 10.409 1.00 0.00 C ATOM 650 C GLY A 43 50.552 -2.476 10.518 1.00 0.00 C ATOM 651 O GLY A 43 50.084 -2.101 11.576 1.00 0.00 O ATOM 0 H GLY A 43 50.034 -5.357 9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.020 -3.908 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.822 -3.874 9.464 1.00 0.00 H new ATOM 655 N ASN A 44 50.456 -1.748 9.431 1.00 0.00 N ATOM 656 CA ASN A 44 49.760 -0.423 9.466 1.00 0.00 C ATOM 657 C ASN A 44 48.244 -0.621 9.364 1.00 0.00 C ATOM 658 O ASN A 44 47.752 -1.733 9.404 1.00 0.00 O ATOM 659 CB ASN A 44 50.285 0.339 8.246 1.00 0.00 C ATOM 660 CG ASN A 44 50.295 1.841 8.541 1.00 0.00 C ATOM 661 OD1 ASN A 44 50.699 2.261 9.607 1.00 0.00 O ATOM 662 ND2 ASN A 44 49.865 2.675 7.632 1.00 0.00 N ATOM 0 H ASN A 44 50.830 -2.015 8.520 1.00 0.00 H new ATOM 0 HA ASN A 44 49.950 0.117 10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.291 0.000 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.658 0.133 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 44 49.869 3.678 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 44 49.526 2.323 6.737 1.00 0.00 H new ATOM 669 N GLU A 45 47.502 0.451 9.238 1.00 0.00 N ATOM 670 CA GLU A 45 46.015 0.333 9.140 1.00 0.00 C ATOM 671 C GLU A 45 45.529 0.826 7.773 1.00 0.00 C ATOM 672 O GLU A 45 44.432 1.339 7.645 1.00 0.00 O ATOM 673 CB GLU A 45 45.476 1.229 10.255 1.00 0.00 C ATOM 674 CG GLU A 45 44.022 0.858 10.550 1.00 0.00 C ATOM 675 CD GLU A 45 43.532 1.641 11.771 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.790 1.198 12.878 1.00 0.00 O ATOM 677 OE2 GLU A 45 42.904 2.669 11.577 1.00 0.00 O ATOM 0 H GLU A 45 47.863 1.404 9.199 1.00 0.00 H new ATOM 0 HA GLU A 45 45.676 -0.698 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.082 1.113 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.542 2.276 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 45 43.396 1.082 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 45 43.939 -0.213 10.735 1.00 0.00 H new ATOM 684 N ASN A 46 46.335 0.668 6.755 1.00 0.00 N ATOM 685 CA ASN A 46 45.927 1.120 5.390 1.00 0.00 C ATOM 686 C ASN A 46 45.902 -0.071 4.428 1.00 0.00 C ATOM 687 O ASN A 46 46.124 0.074 3.240 1.00 0.00 O ATOM 688 CB ASN A 46 46.999 2.128 4.968 1.00 0.00 C ATOM 689 CG ASN A 46 46.624 2.747 3.618 1.00 0.00 C ATOM 690 OD1 ASN A 46 45.482 2.697 3.206 1.00 0.00 O ATOM 691 ND2 ASN A 46 47.548 3.335 2.907 1.00 0.00 N ATOM 0 H ASN A 46 47.261 0.244 6.810 1.00 0.00 H new ATOM 0 HA ASN A 46 44.930 1.560 5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.095 2.909 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.968 1.634 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 46 47.311 3.752 2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 46 48.507 3.378 3.252 1.00 0.00 H new ATOM 698 N ASN A 47 45.635 -1.247 4.937 1.00 0.00 N ATOM 699 CA ASN A 47 45.596 -2.458 4.061 1.00 0.00 C ATOM 700 C ASN A 47 44.180 -2.682 3.523 1.00 0.00 C ATOM 701 O ASN A 47 43.279 -3.043 4.258 1.00 0.00 O ATOM 702 CB ASN A 47 46.017 -3.622 4.963 1.00 0.00 C ATOM 703 CG ASN A 47 47.421 -3.366 5.520 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.639 -3.451 6.712 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.387 -3.052 4.701 1.00 0.00 N ATOM 0 H ASN A 47 45.442 -1.421 5.923 1.00 0.00 H new ATOM 0 HA ASN A 47 46.251 -2.357 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.306 -3.735 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.004 -4.554 4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.325 -2.878 5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.204 -2.981 3.700 1.00 0.00 H new ATOM 712 N PHE A 48 43.980 -2.474 2.245 1.00 0.00 N ATOM 713 CA PHE A 48 42.624 -2.675 1.651 1.00 0.00 C ATOM 714 C PHE A 48 42.465 -4.120 1.167 1.00 0.00 C ATOM 715 O PHE A 48 43.394 -4.714 0.651 1.00 0.00 O ATOM 716 CB PHE A 48 42.559 -1.705 0.471 1.00 0.00 C ATOM 717 CG PHE A 48 42.468 -0.290 0.986 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.406 0.083 1.818 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.442 0.651 0.630 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.318 1.395 2.295 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.353 1.964 1.108 1.00 0.00 C ATOM 722 CZ PHE A 48 42.291 2.336 1.941 1.00 0.00 C ATOM 0 H PHE A 48 44.699 -2.173 1.587 1.00 0.00 H new ATOM 0 HA PHE A 48 41.828 -2.493 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.443 -1.819 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.695 -1.932 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.654 -0.642 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.261 0.364 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.498 1.682 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.104 2.690 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.223 3.349 2.310 1.00 0.00 H new ATOM 732 N THR A 49 41.296 -4.684 1.330 1.00 0.00 N ATOM 733 CA THR A 49 41.066 -6.091 0.882 1.00 0.00 C ATOM 734 C THR A 49 40.688 -6.119 -0.603 1.00 0.00 C ATOM 735 O THR A 49 40.985 -7.065 -1.309 1.00 0.00 O ATOM 736 CB THR A 49 39.905 -6.601 1.741 1.00 0.00 C ATOM 737 OG1 THR A 49 38.766 -5.778 1.529 1.00 0.00 O ATOM 738 CG2 THR A 49 40.296 -6.563 3.219 1.00 0.00 C ATOM 0 H THR A 49 40.488 -4.229 1.755 1.00 0.00 H new ATOM 0 HA THR A 49 41.957 -6.709 0.995 1.00 0.00 H new ATOM 0 HB THR A 49 39.672 -7.628 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.019 -6.106 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 49 39.466 -6.927 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 49 41.168 -7.196 3.381 1.00 0.00 H new ATOM 0 HG23 THR A 49 40.533 -5.539 3.506 1.00 0.00 H new ATOM 746 N SER A 50 40.036 -5.088 -1.076 1.00 0.00 N ATOM 747 CA SER A 50 39.634 -5.044 -2.514 1.00 0.00 C ATOM 748 C SER A 50 39.936 -3.663 -3.102 1.00 0.00 C ATOM 749 O SER A 50 40.695 -2.895 -2.542 1.00 0.00 O ATOM 750 CB SER A 50 38.129 -5.306 -2.510 1.00 0.00 C ATOM 751 OG SER A 50 37.475 -4.282 -1.773 1.00 0.00 O ATOM 0 H SER A 50 39.764 -4.273 -0.527 1.00 0.00 H new ATOM 0 HA SER A 50 40.174 -5.773 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.750 -5.333 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.919 -6.279 -2.067 1.00 0.00 H new ATOM 0 HG SER A 50 36.509 -4.447 -1.770 1.00 0.00 H new ATOM 757 N LYS A 51 39.345 -3.345 -4.226 1.00 0.00 N ATOM 758 CA LYS A 51 39.591 -2.015 -4.857 1.00 0.00 C ATOM 759 C LYS A 51 38.469 -1.042 -4.489 1.00 0.00 C ATOM 760 O LYS A 51 38.692 0.144 -4.332 1.00 0.00 O ATOM 761 CB LYS A 51 39.601 -2.287 -6.361 1.00 0.00 C ATOM 762 CG LYS A 51 40.374 -1.178 -7.078 1.00 0.00 C ATOM 763 CD LYS A 51 40.313 -1.408 -8.589 1.00 0.00 C ATOM 764 CE LYS A 51 41.381 -0.557 -9.280 1.00 0.00 C ATOM 765 NZ LYS A 51 40.864 0.838 -9.213 1.00 0.00 N ATOM 0 H LYS A 51 38.701 -3.951 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 51 40.524 -1.562 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.062 -3.254 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.580 -2.335 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.949 -0.205 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.411 -1.168 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 51 40.472 -2.463 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.325 -1.147 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 51 42.344 -0.646 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.531 -0.873 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 41.063 1.326 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 39.837 0.820 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 41.330 1.344 -8.433 1.00 0.00 H new ATOM 779 N GLN A 52 37.264 -1.536 -4.348 1.00 0.00 N ATOM 780 CA GLN A 52 36.121 -0.641 -3.986 1.00 0.00 C ATOM 781 C GLN A 52 36.367 -0.001 -2.618 1.00 0.00 C ATOM 782 O GLN A 52 35.917 1.097 -2.349 1.00 0.00 O ATOM 783 CB GLN A 52 34.892 -1.549 -3.938 1.00 0.00 C ATOM 784 CG GLN A 52 33.635 -0.694 -3.773 1.00 0.00 C ATOM 785 CD GLN A 52 32.393 -1.571 -3.945 1.00 0.00 C ATOM 786 OE1 GLN A 52 31.479 -1.216 -4.662 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.323 -2.710 -3.313 1.00 0.00 N ATOM 0 H GLN A 52 37.022 -2.520 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 52 35.994 0.170 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.826 -2.139 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.978 -2.252 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.628 -0.225 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.630 0.110 -4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 52 33.091 -3.007 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.500 -3.303 -3.421 1.00 0.00 H new ATOM 796 N GLU A 53 37.078 -0.682 -1.755 1.00 0.00 N ATOM 797 CA GLU A 53 37.360 -0.119 -0.401 1.00 0.00 C ATOM 798 C GLU A 53 38.506 0.893 -0.486 1.00 0.00 C ATOM 799 O GLU A 53 38.536 1.872 0.236 1.00 0.00 O ATOM 800 CB GLU A 53 37.764 -1.322 0.456 1.00 0.00 C ATOM 801 CG GLU A 53 36.563 -1.795 1.286 1.00 0.00 C ATOM 802 CD GLU A 53 35.994 -3.084 0.689 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.205 -2.988 -0.237 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.358 -4.146 1.166 1.00 0.00 O ATOM 0 H GLU A 53 37.476 -1.605 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 53 36.501 0.404 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.119 -2.132 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.589 -1.050 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.868 -1.965 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.795 -1.022 1.304 1.00 0.00 H new ATOM 811 N CYS A 54 39.443 0.665 -1.372 1.00 0.00 N ATOM 812 CA CYS A 54 40.589 1.615 -1.522 1.00 0.00 C ATOM 813 C CYS A 54 40.069 2.978 -1.986 1.00 0.00 C ATOM 814 O CYS A 54 40.542 4.014 -1.554 1.00 0.00 O ATOM 815 CB CYS A 54 41.495 0.988 -2.587 1.00 0.00 C ATOM 816 SG CYS A 54 42.973 2.009 -2.817 1.00 0.00 S ATOM 0 H CYS A 54 39.464 -0.139 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 54 41.125 1.775 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.782 -0.020 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.955 0.897 -3.529 1.00 0.00 H new ATOM 821 N LEU A 55 39.094 2.980 -2.858 1.00 0.00 N ATOM 822 CA LEU A 55 38.525 4.269 -3.357 1.00 0.00 C ATOM 823 C LEU A 55 37.570 4.858 -2.316 1.00 0.00 C ATOM 824 O LEU A 55 37.652 6.021 -1.971 1.00 0.00 O ATOM 825 CB LEU A 55 37.760 3.901 -4.633 1.00 0.00 C ATOM 826 CG LEU A 55 38.749 3.660 -5.782 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.296 2.449 -6.601 1.00 0.00 C ATOM 828 CD2 LEU A 55 38.793 4.893 -6.691 1.00 0.00 C ATOM 0 H LEU A 55 38.665 2.141 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 55 39.297 5.015 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.161 3.006 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.069 4.702 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 55 39.741 3.475 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 55 38.998 2.278 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.263 1.568 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 55 37.303 2.637 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 55 39.496 4.719 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.800 5.078 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 55 39.114 5.760 -6.113 1.00 0.00 H new ATOM 840 N ARG A 56 36.663 4.059 -1.817 1.00 0.00 N ATOM 841 CA ARG A 56 35.692 4.564 -0.795 1.00 0.00 C ATOM 842 C ARG A 56 36.423 4.984 0.488 1.00 0.00 C ATOM 843 O ARG A 56 35.868 5.674 1.323 1.00 0.00 O ATOM 844 CB ARG A 56 34.753 3.386 -0.518 1.00 0.00 C ATOM 845 CG ARG A 56 33.578 3.852 0.348 1.00 0.00 C ATOM 846 CD ARG A 56 33.016 2.659 1.128 1.00 0.00 C ATOM 847 NE ARG A 56 31.870 2.162 0.313 1.00 0.00 N ATOM 848 CZ ARG A 56 31.211 1.105 0.697 1.00 0.00 C ATOM 849 NH1 ARG A 56 31.855 0.027 1.055 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.907 1.125 0.724 1.00 0.00 N ATOM 0 H ARG A 56 36.551 3.078 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 56 35.152 5.443 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.384 2.975 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.296 2.588 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.906 4.629 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.801 4.289 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.771 1.884 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.690 2.958 2.124 1.00 0.00 H new ATOM 0 HE ARG A 56 31.603 2.648 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 56 32.875 0.012 1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.338 -0.800 1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.404 1.967 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 56 29.390 0.298 1.024 1.00 0.00 H new ATOM 864 N ALA A 57 37.659 4.573 0.655 1.00 0.00 N ATOM 865 CA ALA A 57 38.415 4.948 1.889 1.00 0.00 C ATOM 866 C ALA A 57 39.286 6.187 1.644 1.00 0.00 C ATOM 867 O ALA A 57 39.047 7.238 2.209 1.00 0.00 O ATOM 868 CB ALA A 57 39.284 3.729 2.201 1.00 0.00 C ATOM 0 H ALA A 57 38.174 3.995 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 57 37.749 5.202 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.874 3.922 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.647 2.860 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.952 3.534 1.362 1.00 0.00 H new ATOM 874 N CYS A 58 40.295 6.073 0.813 1.00 0.00 N ATOM 875 CA CYS A 58 41.181 7.249 0.543 1.00 0.00 C ATOM 876 C CYS A 58 40.553 8.151 -0.524 1.00 0.00 C ATOM 877 O CYS A 58 40.666 9.361 -0.465 1.00 0.00 O ATOM 878 CB CYS A 58 42.502 6.657 0.045 1.00 0.00 C ATOM 879 SG CYS A 58 43.684 6.552 1.415 1.00 0.00 S ATOM 0 H CYS A 58 40.542 5.220 0.312 1.00 0.00 H new ATOM 0 HA CYS A 58 41.328 7.864 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.331 5.666 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.911 7.277 -0.753 1.00 0.00 H new ATOM 884 N LYS A 59 39.885 7.572 -1.490 1.00 0.00 N ATOM 885 CA LYS A 59 39.236 8.396 -2.558 1.00 0.00 C ATOM 886 C LYS A 59 37.794 8.756 -2.162 1.00 0.00 C ATOM 887 O LYS A 59 36.892 8.706 -2.977 1.00 0.00 O ATOM 888 CB LYS A 59 39.248 7.514 -3.809 1.00 0.00 C ATOM 889 CG LYS A 59 39.424 8.391 -5.053 1.00 0.00 C ATOM 890 CD LYS A 59 40.916 8.640 -5.296 1.00 0.00 C ATOM 891 CE LYS A 59 41.091 9.764 -6.322 1.00 0.00 C ATOM 892 NZ LYS A 59 42.456 10.309 -6.066 1.00 0.00 N ATOM 0 H LYS A 59 39.760 6.564 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 59 39.760 9.338 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.058 6.787 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.318 6.950 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.980 7.903 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 38.903 9.339 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 59 41.407 8.909 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 59 41.393 7.728 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 59 41.001 9.387 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 59 40.329 10.534 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 42.650 11.085 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 42.510 10.667 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 43.161 9.556 -6.197 1.00 0.00 H new ATOM 906 N LYS A 60 37.572 9.125 -0.921 1.00 0.00 N ATOM 907 CA LYS A 60 36.191 9.494 -0.477 1.00 0.00 C ATOM 908 C LYS A 60 35.833 10.894 -0.985 1.00 0.00 C ATOM 909 O LYS A 60 36.098 11.885 -0.330 1.00 0.00 O ATOM 910 CB LYS A 60 36.241 9.476 1.054 1.00 0.00 C ATOM 911 CG LYS A 60 34.938 8.880 1.614 1.00 0.00 C ATOM 912 CD LYS A 60 34.208 9.924 2.467 1.00 0.00 C ATOM 913 CE LYS A 60 34.734 9.871 3.903 1.00 0.00 C ATOM 914 NZ LYS A 60 33.962 10.915 4.634 1.00 0.00 N ATOM 0 H LYS A 60 38.289 9.186 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 60 35.437 8.809 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.094 8.888 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.381 10.488 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 60 34.296 8.554 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.161 7.998 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 60 34.359 10.920 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 60 33.135 9.733 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 60 34.581 8.886 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 60 35.804 10.074 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 34.267 10.940 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 34.133 11.843 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 32.947 10.692 4.588 1.00 0.00 H new ATOM 928 N GLY A 61 35.237 10.978 -2.148 1.00 0.00 N ATOM 929 CA GLY A 61 34.861 12.308 -2.712 1.00 0.00 C ATOM 930 C GLY A 61 36.076 12.932 -3.401 1.00 0.00 C ATOM 931 O GLY A 61 36.481 14.008 -2.989 1.00 0.00 O ATOM 932 OXT GLY A 61 36.583 12.323 -4.329 1.00 0.00 O ATOM 0 H GLY A 61 34.994 10.178 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.044 12.195 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.503 12.964 -1.918 1.00 0.00 H new TER 936 GLY A 61