USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 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 10 THR OG1 : rot 90:sc= -1.17 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.216 K(o=-1.4,f=-4.6!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 6 SER OG : rot -45:sc= 0.716 USER MOD Single : A 20 ASN : amide:sc= -1.22 K(o=-1.2,f=-7.5!) USER MOD Single : A 22 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.46) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.927 K(o=-0.93,f=-2.3!) USER MOD Single : A 28 SER OG : rot -26:sc= 0.296 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 -18:sc= 1.09 USER MOD Single : A 39 SER OG : rot -101:sc= 1.12 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.2 F(o=-2.2,f=-1.2) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.942! F(o=-1.7,f=-0.94!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 55.185 15.233 3.130 1.00 0.00 N ATOM 2 CA GLU A 1 53.705 15.331 2.972 1.00 0.00 C ATOM 3 C GLU A 1 53.003 14.708 4.182 1.00 0.00 C ATOM 4 O GLU A 1 53.088 13.515 4.411 1.00 0.00 O ATOM 5 CB GLU A 1 53.388 14.543 1.702 1.00 0.00 C ATOM 6 CG GLU A 1 52.079 15.053 1.096 1.00 0.00 C ATOM 7 CD GLU A 1 52.342 16.349 0.328 1.00 0.00 C ATOM 8 OE1 GLU A 1 53.083 16.302 -0.639 1.00 0.00 O ATOM 9 OE2 GLU A 1 51.797 17.368 0.720 1.00 0.00 O ATOM 0 H1 GLU A 1 55.651 15.659 2.304 1.00 0.00 H new ATOM 0 H2 GLU A 1 55.476 15.739 3.991 1.00 0.00 H new ATOM 0 H3 GLU A 1 55.461 14.233 3.206 1.00 0.00 H new ATOM 0 HA GLU A 1 53.364 16.364 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 1 54.200 14.651 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 1 53.305 13.481 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 1 51.658 14.301 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 1 51.345 15.227 1.883 1.00 0.00 H new ATOM 18 N PHE A 2 52.310 15.506 4.953 1.00 0.00 N ATOM 19 CA PHE A 2 51.598 14.969 6.152 1.00 0.00 C ATOM 20 C PHE A 2 50.391 15.853 6.494 1.00 0.00 C ATOM 21 O PHE A 2 49.991 15.952 7.639 1.00 0.00 O ATOM 22 CB PHE A 2 52.638 14.996 7.280 1.00 0.00 C ATOM 23 CG PHE A 2 53.098 16.418 7.529 1.00 0.00 C ATOM 24 CD1 PHE A 2 54.095 16.985 6.726 1.00 0.00 C ATOM 25 CD2 PHE A 2 52.523 17.165 8.564 1.00 0.00 C ATOM 26 CE1 PHE A 2 54.516 18.301 6.957 1.00 0.00 C ATOM 27 CE2 PHE A 2 52.944 18.480 8.795 1.00 0.00 C ATOM 28 CZ PHE A 2 53.940 19.048 7.992 1.00 0.00 C ATOM 0 H PHE A 2 52.206 16.510 4.803 1.00 0.00 H new ATOM 0 HA PHE A 2 51.210 13.964 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 2 52.209 14.579 8.191 1.00 0.00 H new ATOM 0 HB3 PHE A 2 53.490 14.371 7.014 1.00 0.00 H new ATOM 0 HD1 PHE A 2 54.539 16.408 5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 2 51.755 16.727 9.184 1.00 0.00 H new ATOM 0 HE1 PHE A 2 55.284 18.739 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 2 52.500 19.057 9.593 1.00 0.00 H new ATOM 0 HZ PHE A 2 54.264 20.063 8.171 1.00 0.00 H new ATOM 38 N HIS A 3 49.819 16.499 5.510 1.00 0.00 N ATOM 39 CA HIS A 3 48.643 17.386 5.772 1.00 0.00 C ATOM 40 C HIS A 3 47.439 16.556 6.227 1.00 0.00 C ATOM 41 O HIS A 3 47.005 16.652 7.360 1.00 0.00 O ATOM 42 CB HIS A 3 48.353 18.076 4.437 1.00 0.00 C ATOM 43 CG HIS A 3 47.251 19.082 4.623 1.00 0.00 C ATOM 44 ND1 HIS A 3 46.373 19.412 3.605 1.00 0.00 N ATOM 45 CD2 HIS A 3 46.874 19.839 5.705 1.00 0.00 C ATOM 46 CE1 HIS A 3 45.518 20.330 4.088 1.00 0.00 C ATOM 47 NE2 HIS A 3 45.778 20.627 5.364 1.00 0.00 N ATOM 0 H HIS A 3 50.115 16.451 4.535 1.00 0.00 H new ATOM 0 HA HIS A 3 48.843 18.108 6.564 1.00 0.00 H new ATOM 0 HB2 HIS A 3 49.252 18.569 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.064 17.338 3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.354 19.825 6.672 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.718 20.774 3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 3 45.281 21.289 5.960 1.00 0.00 H new ATOM 55 N GLY A 4 46.899 15.740 5.354 1.00 0.00 N ATOM 56 CA GLY A 4 45.722 14.899 5.734 1.00 0.00 C ATOM 57 C GLY A 4 46.121 13.942 6.871 1.00 0.00 C ATOM 58 O GLY A 4 47.128 14.161 7.516 1.00 0.00 O ATOM 0 H GLY A 4 47.223 15.621 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.895 15.534 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.374 14.331 4.871 1.00 0.00 H new ATOM 62 N PRO A 5 45.335 12.898 7.095 1.00 0.00 N ATOM 63 CA PRO A 5 45.668 11.935 8.173 1.00 0.00 C ATOM 64 C PRO A 5 47.026 11.287 7.896 1.00 0.00 C ATOM 65 O PRO A 5 47.652 11.556 6.888 1.00 0.00 O ATOM 66 CB PRO A 5 44.528 10.914 8.087 1.00 0.00 C ATOM 67 CG PRO A 5 43.570 11.333 6.957 1.00 0.00 C ATOM 68 CD PRO A 5 44.100 12.621 6.309 1.00 0.00 C ATOM 0 HA PRO A 5 45.751 12.387 9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.927 9.918 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.994 10.864 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.495 10.540 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.567 11.495 7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.317 12.482 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.381 13.437 6.383 1.00 0.00 H new ATOM 76 N SER A 6 47.492 10.446 8.784 1.00 0.00 N ATOM 77 CA SER A 6 48.817 9.795 8.572 1.00 0.00 C ATOM 78 C SER A 6 48.646 8.312 8.232 1.00 0.00 C ATOM 79 O SER A 6 49.409 7.478 8.682 1.00 0.00 O ATOM 80 CB SER A 6 49.555 9.963 9.900 1.00 0.00 C ATOM 81 OG SER A 6 50.876 9.453 9.770 1.00 0.00 O ATOM 0 H SER A 6 47.012 10.183 9.645 1.00 0.00 H new ATOM 0 HA SER A 6 49.363 10.240 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.585 11.015 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.025 9.435 10.693 1.00 0.00 H new ATOM 0 HG SER A 6 50.849 8.587 9.313 1.00 0.00 H new ATOM 87 N TRP A 7 47.661 7.978 7.435 1.00 0.00 N ATOM 88 CA TRP A 7 47.461 6.544 7.062 1.00 0.00 C ATOM 89 C TRP A 7 46.707 6.405 5.729 1.00 0.00 C ATOM 90 O TRP A 7 46.160 5.362 5.438 1.00 0.00 O ATOM 91 CB TRP A 7 46.660 5.928 8.215 1.00 0.00 C ATOM 92 CG TRP A 7 45.331 6.601 8.343 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.085 7.709 9.079 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.064 6.224 7.732 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.746 8.036 8.957 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.076 7.151 8.136 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.681 5.179 6.873 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.753 7.045 7.703 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.351 5.067 6.437 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.390 6.000 6.850 1.00 0.00 C ATOM 0 H TRP A 7 46.991 8.631 7.029 1.00 0.00 H new ATOM 0 HA TRP A 7 48.415 6.037 6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.519 4.861 8.040 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.217 6.027 9.147 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.814 8.249 9.665 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.307 8.834 9.417 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.415 4.457 6.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.016 7.765 8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.067 4.258 5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.369 5.911 6.509 1.00 0.00 H new ATOM 111 N CYS A 8 46.692 7.434 4.913 1.00 0.00 N ATOM 112 CA CYS A 8 45.993 7.336 3.592 1.00 0.00 C ATOM 113 C CYS A 8 47.026 7.441 2.465 1.00 0.00 C ATOM 114 O CYS A 8 46.887 6.827 1.424 1.00 0.00 O ATOM 115 CB CYS A 8 45.014 8.517 3.544 1.00 0.00 C ATOM 116 SG CYS A 8 43.420 7.974 2.860 1.00 0.00 S ATOM 0 H CYS A 8 47.132 8.334 5.104 1.00 0.00 H new ATOM 0 HA CYS A 8 45.466 6.389 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.870 8.922 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.428 9.319 2.932 1.00 0.00 H new ATOM 121 N LEU A 9 48.073 8.204 2.677 1.00 0.00 N ATOM 122 CA LEU A 9 49.134 8.341 1.637 1.00 0.00 C ATOM 123 C LEU A 9 50.484 7.835 2.180 1.00 0.00 C ATOM 124 O LEU A 9 51.530 8.140 1.638 1.00 0.00 O ATOM 125 CB LEU A 9 49.199 9.842 1.330 1.00 0.00 C ATOM 126 CG LEU A 9 49.567 10.629 2.602 1.00 0.00 C ATOM 127 CD1 LEU A 9 50.676 11.636 2.286 1.00 0.00 C ATOM 128 CD2 LEU A 9 48.337 11.383 3.119 1.00 0.00 C ATOM 0 H LEU A 9 48.236 8.738 3.530 1.00 0.00 H new ATOM 0 HA LEU A 9 48.916 7.754 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.938 10.030 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 48.238 10.184 0.947 1.00 0.00 H new ATOM 0 HG LEU A 9 49.914 9.930 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 50.933 12.190 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 9 51.556 11.106 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 9 50.330 12.330 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.602 11.938 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 47.988 12.077 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.545 10.671 3.352 1.00 0.00 H new ATOM 140 N THR A 10 50.464 7.073 3.248 1.00 0.00 N ATOM 141 CA THR A 10 51.741 6.551 3.833 1.00 0.00 C ATOM 142 C THR A 10 52.345 5.468 2.914 1.00 0.00 C ATOM 143 O THR A 10 51.612 4.801 2.211 1.00 0.00 O ATOM 144 CB THR A 10 51.345 5.959 5.196 1.00 0.00 C ATOM 145 OG1 THR A 10 52.490 5.406 5.828 1.00 0.00 O ATOM 146 CG2 THR A 10 50.287 4.864 5.010 1.00 0.00 C ATOM 0 H THR A 10 49.617 6.790 3.741 1.00 0.00 H new ATOM 0 HA THR A 10 52.498 7.329 3.938 1.00 0.00 H new ATOM 0 HB THR A 10 50.931 6.753 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.925 6.093 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.015 4.452 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.403 5.289 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.691 4.071 4.380 1.00 0.00 H new ATOM 154 N PRO A 11 53.664 5.314 2.929 1.00 0.00 N ATOM 155 CA PRO A 11 54.302 4.289 2.066 1.00 0.00 C ATOM 156 C PRO A 11 53.800 2.892 2.434 1.00 0.00 C ATOM 157 O PRO A 11 53.635 2.569 3.595 1.00 0.00 O ATOM 158 CB PRO A 11 55.793 4.450 2.383 1.00 0.00 C ATOM 159 CG PRO A 11 55.962 5.576 3.421 1.00 0.00 C ATOM 160 CD PRO A 11 54.577 6.125 3.784 1.00 0.00 C ATOM 0 HA PRO A 11 54.081 4.410 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.199 3.516 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.348 4.687 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.463 5.196 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.589 6.371 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.357 5.998 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.495 7.190 3.567 1.00 0.00 H new ATOM 168 N ALA A 12 53.556 2.064 1.450 1.00 0.00 N ATOM 169 CA ALA A 12 53.060 0.681 1.734 1.00 0.00 C ATOM 170 C ALA A 12 54.087 -0.081 2.574 1.00 0.00 C ATOM 171 O ALA A 12 55.208 -0.301 2.151 1.00 0.00 O ATOM 172 CB ALA A 12 52.885 0.023 0.361 1.00 0.00 C ATOM 0 H ALA A 12 53.679 2.285 0.462 1.00 0.00 H new ATOM 0 HA ALA A 12 52.127 0.684 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.523 -0.997 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.165 0.593 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.843 0.005 -0.158 1.00 0.00 H new ATOM 178 N ASP A 13 53.710 -0.485 3.761 1.00 0.00 N ATOM 179 CA ASP A 13 54.660 -1.233 4.637 1.00 0.00 C ATOM 180 C ASP A 13 54.753 -2.697 4.200 1.00 0.00 C ATOM 181 O ASP A 13 54.161 -3.573 4.804 1.00 0.00 O ATOM 182 CB ASP A 13 54.075 -1.136 6.044 1.00 0.00 C ATOM 183 CG ASP A 13 55.174 -1.465 7.056 1.00 0.00 C ATOM 184 OD1 ASP A 13 55.753 -2.533 6.944 1.00 0.00 O ATOM 185 OD2 ASP A 13 55.416 -0.643 7.923 1.00 0.00 O ATOM 0 H ASP A 13 52.785 -0.329 4.161 1.00 0.00 H new ATOM 0 HA ASP A 13 55.668 -0.821 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.685 -0.134 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.240 -1.828 6.155 1.00 0.00 H new ATOM 190 N ARG A 14 55.488 -2.963 3.156 1.00 0.00 N ATOM 191 CA ARG A 14 55.624 -4.365 2.664 1.00 0.00 C ATOM 192 C ARG A 14 56.960 -4.970 3.124 1.00 0.00 C ATOM 193 O ARG A 14 57.807 -5.306 2.314 1.00 0.00 O ATOM 194 CB ARG A 14 55.583 -4.240 1.141 1.00 0.00 C ATOM 195 CG ARG A 14 54.129 -4.265 0.665 1.00 0.00 C ATOM 196 CD ARG A 14 53.394 -3.014 1.162 1.00 0.00 C ATOM 197 NE ARG A 14 52.686 -3.442 2.407 1.00 0.00 N ATOM 198 CZ ARG A 14 51.805 -2.654 2.971 1.00 0.00 C ATOM 199 NH1 ARG A 14 50.972 -1.965 2.239 1.00 0.00 N ATOM 200 NH2 ARG A 14 51.751 -2.565 4.271 1.00 0.00 N ATOM 0 H ARG A 14 56.004 -2.266 2.619 1.00 0.00 H new ATOM 0 HA ARG A 14 54.841 -5.019 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.063 -3.313 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.141 -5.057 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 14 54.095 -4.309 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 14 53.631 -5.161 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 14 54.092 -2.202 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 14 52.690 -2.649 0.415 1.00 0.00 H new ATOM 0 HE ARG A 14 52.890 -4.352 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 14 51.005 -2.039 1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 14 50.288 -1.353 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 14 52.394 -3.109 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 14 51.066 -1.952 4.712 1.00 0.00 H new ATOM 214 N GLY A 15 57.153 -5.115 4.415 1.00 0.00 N ATOM 215 CA GLY A 15 58.432 -5.700 4.924 1.00 0.00 C ATOM 216 C GLY A 15 58.299 -6.070 6.405 1.00 0.00 C ATOM 217 O GLY A 15 58.607 -5.284 7.282 1.00 0.00 O ATOM 0 H GLY A 15 56.480 -4.853 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.691 -6.585 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.244 -4.985 4.793 1.00 0.00 H new ATOM 221 N LEU A 16 57.857 -7.272 6.685 1.00 0.00 N ATOM 222 CA LEU A 16 57.715 -7.722 8.103 1.00 0.00 C ATOM 223 C LEU A 16 57.762 -9.254 8.159 1.00 0.00 C ATOM 224 O LEU A 16 58.817 -9.829 8.350 1.00 0.00 O ATOM 225 CB LEU A 16 56.355 -7.197 8.561 1.00 0.00 C ATOM 226 CG LEU A 16 56.549 -6.030 9.523 1.00 0.00 C ATOM 227 CD1 LEU A 16 55.370 -5.068 9.390 1.00 0.00 C ATOM 228 CD2 LEU A 16 56.621 -6.567 10.953 1.00 0.00 C ATOM 0 H LEU A 16 57.587 -7.964 5.986 1.00 0.00 H new ATOM 0 HA LEU A 16 58.515 -7.351 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 16 55.770 -6.876 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.793 -7.993 9.049 1.00 0.00 H new ATOM 0 HG LEU A 16 57.473 -5.502 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.504 -4.232 10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.319 -4.694 8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.445 -5.591 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 16 56.760 -5.738 11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 55.695 -7.089 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.460 -7.257 11.041 1.00 0.00 H new ATOM 240 N CYS A 17 56.641 -9.925 7.968 1.00 0.00 N ATOM 241 CA CYS A 17 56.655 -11.415 7.984 1.00 0.00 C ATOM 242 C CYS A 17 56.901 -11.873 6.535 1.00 0.00 C ATOM 243 O CYS A 17 57.210 -11.057 5.686 1.00 0.00 O ATOM 244 CB CYS A 17 55.275 -11.910 8.522 1.00 0.00 C ATOM 245 SG CYS A 17 54.557 -10.770 9.768 1.00 0.00 S ATOM 0 H CYS A 17 55.728 -9.500 7.804 1.00 0.00 H new ATOM 0 HA CYS A 17 57.433 -11.824 8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.581 -12.016 7.689 1.00 0.00 H new ATOM 0 HB3 CYS A 17 55.395 -12.899 8.965 1.00 0.00 H new ATOM 250 N ARG A 18 56.790 -13.143 6.234 1.00 0.00 N ATOM 251 CA ARG A 18 57.051 -13.599 4.822 1.00 0.00 C ATOM 252 C ARG A 18 55.812 -14.279 4.211 1.00 0.00 C ATOM 253 O ARG A 18 55.378 -15.326 4.654 1.00 0.00 O ATOM 254 CB ARG A 18 58.206 -14.596 4.949 1.00 0.00 C ATOM 255 CG ARG A 18 59.256 -14.346 3.863 1.00 0.00 C ATOM 256 CD ARG A 18 59.955 -15.671 3.546 1.00 0.00 C ATOM 257 NE ARG A 18 60.737 -15.422 2.306 1.00 0.00 N ATOM 258 CZ ARG A 18 60.832 -16.360 1.399 1.00 0.00 C ATOM 259 NH1 ARG A 18 61.459 -17.471 1.672 1.00 0.00 N ATOM 260 NH2 ARG A 18 60.301 -16.188 0.221 1.00 0.00 N ATOM 0 H ARG A 18 56.534 -13.880 6.891 1.00 0.00 H new ATOM 0 HA ARG A 18 57.287 -12.764 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.665 -14.506 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.825 -15.614 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.785 -13.943 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.982 -13.607 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.606 -15.977 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.230 -16.472 3.399 1.00 0.00 H new ATOM 0 HE ARG A 18 61.198 -14.523 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.875 -17.609 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 18 61.533 -18.202 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 18 59.810 -15.321 0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.377 -16.921 -0.484 1.00 0.00 H new ATOM 274 N ALA A 19 55.245 -13.684 3.187 1.00 0.00 N ATOM 275 CA ALA A 19 54.038 -14.272 2.520 1.00 0.00 C ATOM 276 C ALA A 19 53.655 -13.417 1.305 1.00 0.00 C ATOM 277 O ALA A 19 53.563 -12.207 1.396 1.00 0.00 O ATOM 278 CB ALA A 19 52.926 -14.237 3.577 1.00 0.00 C ATOM 0 H ALA A 19 55.571 -12.807 2.781 1.00 0.00 H new ATOM 0 HA ALA A 19 54.215 -15.287 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.011 -14.653 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.228 -14.826 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.748 -13.206 3.884 1.00 0.00 H new ATOM 284 N ASN A 20 53.436 -14.036 0.172 1.00 0.00 N ATOM 285 CA ASN A 20 53.062 -13.266 -1.056 1.00 0.00 C ATOM 286 C ASN A 20 51.541 -13.103 -1.140 1.00 0.00 C ATOM 287 O ASN A 20 50.868 -13.824 -1.851 1.00 0.00 O ATOM 288 CB ASN A 20 53.573 -14.112 -2.223 1.00 0.00 C ATOM 289 CG ASN A 20 55.105 -14.134 -2.219 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.739 -13.258 -2.772 1.00 0.00 O ATOM 291 ND2 ASN A 20 55.731 -15.110 -1.621 1.00 0.00 N ATOM 0 H ASN A 20 53.500 -15.046 0.043 1.00 0.00 H new ATOM 0 HA ASN A 20 53.489 -12.263 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.186 -15.128 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.209 -13.704 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 20 56.751 -15.136 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.201 -15.847 -1.156 1.00 0.00 H new ATOM 298 N GLU A 21 50.997 -12.163 -0.411 1.00 0.00 N ATOM 299 CA GLU A 21 49.516 -11.942 -0.429 1.00 0.00 C ATOM 300 C GLU A 21 49.114 -11.020 -1.594 1.00 0.00 C ATOM 301 O GLU A 21 49.841 -10.882 -2.561 1.00 0.00 O ATOM 302 CB GLU A 21 49.222 -11.285 0.918 1.00 0.00 C ATOM 303 CG GLU A 21 49.469 -12.295 2.038 1.00 0.00 C ATOM 304 CD GLU A 21 48.671 -11.886 3.277 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.458 -12.005 3.241 1.00 0.00 O ATOM 306 OE2 GLU A 21 49.288 -11.460 4.238 1.00 0.00 O ATOM 0 H GLU A 21 51.517 -11.534 0.201 1.00 0.00 H new ATOM 0 HA GLU A 21 48.955 -12.866 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.858 -10.410 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.190 -10.937 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 21 49.173 -13.293 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.532 -12.339 2.275 1.00 0.00 H new ATOM 313 N ASN A 22 47.959 -10.399 -1.512 1.00 0.00 N ATOM 314 CA ASN A 22 47.502 -9.494 -2.612 1.00 0.00 C ATOM 315 C ASN A 22 46.684 -8.323 -2.037 1.00 0.00 C ATOM 316 O ASN A 22 45.490 -8.229 -2.247 1.00 0.00 O ATOM 317 CB ASN A 22 46.616 -10.375 -3.498 1.00 0.00 C ATOM 318 CG ASN A 22 47.490 -11.310 -4.334 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.315 -12.511 -4.305 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.429 -10.805 -5.085 1.00 0.00 N ATOM 0 H ASN A 22 47.313 -10.482 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 22 48.336 -9.059 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 22 45.932 -10.957 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.005 -9.752 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 22 49.017 -11.419 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 22 48.575 -9.796 -5.109 1.00 0.00 H new ATOM 327 N ARG A 23 47.319 -7.435 -1.309 1.00 0.00 N ATOM 328 CA ARG A 23 46.578 -6.273 -0.712 1.00 0.00 C ATOM 329 C ARG A 23 46.600 -5.060 -1.655 1.00 0.00 C ATOM 330 O ARG A 23 47.501 -4.900 -2.454 1.00 0.00 O ATOM 331 CB ARG A 23 47.321 -5.957 0.583 1.00 0.00 C ATOM 332 CG ARG A 23 46.757 -6.813 1.718 1.00 0.00 C ATOM 333 CD ARG A 23 45.395 -6.266 2.154 1.00 0.00 C ATOM 334 NE ARG A 23 45.003 -7.113 3.315 1.00 0.00 N ATOM 335 CZ ARG A 23 44.449 -6.569 4.364 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.372 -5.843 4.231 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.971 -6.754 5.544 1.00 0.00 N ATOM 0 H ARG A 23 48.317 -7.463 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 23 45.528 -6.508 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.386 -6.153 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 23 47.217 -4.899 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.655 -7.847 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.446 -6.813 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.462 -5.215 2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.664 -6.335 1.348 1.00 0.00 H new ATOM 0 HE ARG A 23 45.168 -8.119 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 42.964 -5.701 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.939 -5.418 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 23 45.811 -7.323 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 23 44.539 -6.330 6.365 1.00 0.00 H new ATOM 351 N PHE A 24 45.607 -4.208 -1.561 1.00 0.00 N ATOM 352 CA PHE A 24 45.556 -2.995 -2.439 1.00 0.00 C ATOM 353 C PHE A 24 46.208 -1.788 -1.746 1.00 0.00 C ATOM 354 O PHE A 24 45.635 -1.193 -0.854 1.00 0.00 O ATOM 355 CB PHE A 24 44.067 -2.740 -2.681 1.00 0.00 C ATOM 356 CG PHE A 24 43.610 -3.559 -3.864 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.938 -3.153 -5.164 1.00 0.00 C ATOM 358 CD2 PHE A 24 42.864 -4.726 -3.663 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.519 -3.916 -6.261 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.445 -5.488 -4.760 1.00 0.00 C ATOM 361 CZ PHE A 24 42.773 -5.083 -6.059 1.00 0.00 C ATOM 0 H PHE A 24 44.826 -4.301 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 24 46.102 -3.146 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.491 -3.006 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.893 -1.680 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.513 -2.252 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.611 -5.039 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.772 -3.604 -7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 24 41.869 -6.388 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.450 -5.671 -6.906 1.00 0.00 H new ATOM 371 N TYR A 25 47.397 -1.423 -2.156 1.00 0.00 N ATOM 372 CA TYR A 25 48.094 -0.251 -1.540 1.00 0.00 C ATOM 373 C TYR A 25 47.742 1.027 -2.320 1.00 0.00 C ATOM 374 O TYR A 25 47.909 1.091 -3.523 1.00 0.00 O ATOM 375 CB TYR A 25 49.595 -0.614 -1.642 1.00 0.00 C ATOM 376 CG TYR A 25 50.484 0.614 -1.618 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.329 1.574 -0.613 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.464 0.781 -2.603 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.157 2.704 -0.594 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.291 1.909 -2.584 1.00 0.00 C ATOM 381 CZ TYR A 25 52.138 2.871 -1.580 1.00 0.00 C ATOM 382 OH TYR A 25 52.954 3.984 -1.560 1.00 0.00 O ATOM 0 H TYR A 25 47.919 -1.890 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 25 47.805 -0.055 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.865 -1.272 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.771 -1.170 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.573 1.445 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.582 0.038 -3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 25 51.039 3.447 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.047 2.037 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 25 53.580 3.944 -2.313 1.00 0.00 H new ATOM 392 N TYR A 26 47.270 2.042 -1.639 1.00 0.00 N ATOM 393 CA TYR A 26 46.921 3.317 -2.337 1.00 0.00 C ATOM 394 C TYR A 26 48.201 4.062 -2.730 1.00 0.00 C ATOM 395 O TYR A 26 48.923 4.556 -1.884 1.00 0.00 O ATOM 396 CB TYR A 26 46.120 4.136 -1.325 1.00 0.00 C ATOM 397 CG TYR A 26 45.623 5.393 -1.999 1.00 0.00 C ATOM 398 CD1 TYR A 26 46.481 6.489 -2.152 1.00 0.00 C ATOM 399 CD2 TYR A 26 44.311 5.459 -2.480 1.00 0.00 C ATOM 400 CE1 TYR A 26 46.027 7.650 -2.788 1.00 0.00 C ATOM 401 CE2 TYR A 26 43.855 6.621 -3.114 1.00 0.00 C ATOM 402 CZ TYR A 26 44.713 7.717 -3.268 1.00 0.00 C ATOM 403 OH TYR A 26 44.266 8.861 -3.897 1.00 0.00 O ATOM 0 H TYR A 26 47.112 2.042 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 26 46.351 3.140 -3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.280 3.553 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.743 4.389 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 26 47.493 6.438 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 26 43.650 4.613 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 26 46.690 8.494 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 26 42.842 6.672 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 26 43.332 8.741 -4.170 1.00 0.00 H new ATOM 413 N ASN A 27 48.485 4.144 -4.006 1.00 0.00 N ATOM 414 CA ASN A 27 49.719 4.856 -4.457 1.00 0.00 C ATOM 415 C ASN A 27 49.455 6.362 -4.556 1.00 0.00 C ATOM 416 O ASN A 27 48.496 6.795 -5.170 1.00 0.00 O ATOM 417 CB ASN A 27 50.031 4.273 -5.833 1.00 0.00 C ATOM 418 CG ASN A 27 50.713 2.912 -5.671 1.00 0.00 C ATOM 419 OD1 ASN A 27 50.072 1.934 -5.340 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.994 2.808 -5.890 1.00 0.00 N ATOM 0 H ASN A 27 47.916 3.749 -4.754 1.00 0.00 H new ATOM 0 HA ASN A 27 50.549 4.726 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.113 4.165 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 27 50.678 4.952 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.458 1.906 -5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 27 52.532 3.629 -6.168 1.00 0.00 H new ATOM 427 N SER A 28 50.297 7.160 -3.947 1.00 0.00 N ATOM 428 CA SER A 28 50.101 8.643 -3.985 1.00 0.00 C ATOM 429 C SER A 28 50.556 9.245 -5.325 1.00 0.00 C ATOM 430 O SER A 28 50.471 10.443 -5.522 1.00 0.00 O ATOM 431 CB SER A 28 50.959 9.185 -2.844 1.00 0.00 C ATOM 432 OG SER A 28 50.696 10.572 -2.677 1.00 0.00 O ATOM 0 H SER A 28 51.115 6.847 -3.423 1.00 0.00 H new ATOM 0 HA SER A 28 49.048 8.904 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.739 8.648 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 28 52.015 9.027 -3.061 1.00 0.00 H new ATOM 0 HG SER A 28 50.383 10.950 -3.525 1.00 0.00 H new ATOM 438 N VAL A 29 51.027 8.438 -6.248 1.00 0.00 N ATOM 439 CA VAL A 29 51.470 8.987 -7.565 1.00 0.00 C ATOM 440 C VAL A 29 50.390 8.717 -8.613 1.00 0.00 C ATOM 441 O VAL A 29 49.809 9.630 -9.167 1.00 0.00 O ATOM 442 CB VAL A 29 52.764 8.238 -7.905 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.299 8.721 -9.256 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.811 8.513 -6.823 1.00 0.00 C ATOM 0 H VAL A 29 51.122 7.428 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 29 51.636 10.064 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 29 52.558 7.169 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.219 8.187 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.557 8.530 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.503 9.790 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.731 7.981 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.012 9.583 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.436 8.171 -5.858 1.00 0.00 H new ATOM 454 N ILE A 30 50.119 7.466 -8.882 1.00 0.00 N ATOM 455 CA ILE A 30 49.070 7.127 -9.890 1.00 0.00 C ATOM 456 C ILE A 30 47.678 7.451 -9.331 1.00 0.00 C ATOM 457 O ILE A 30 46.802 7.892 -10.052 1.00 0.00 O ATOM 458 CB ILE A 30 49.227 5.624 -10.176 1.00 0.00 C ATOM 459 CG1 ILE A 30 48.993 4.807 -8.895 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.640 5.354 -10.703 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.078 3.310 -9.213 1.00 0.00 C ATOM 0 H ILE A 30 50.578 6.665 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 30 49.180 7.706 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 30 48.490 5.326 -10.921 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.736 5.071 -8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.016 5.044 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.755 4.289 -10.907 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.800 5.919 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.372 5.662 -9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.912 2.735 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.318 3.051 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.065 3.079 -9.613 1.00 0.00 H new ATOM 473 N GLY A 31 47.474 7.250 -8.053 1.00 0.00 N ATOM 474 CA GLY A 31 46.145 7.559 -7.444 1.00 0.00 C ATOM 475 C GLY A 31 45.374 6.263 -7.184 1.00 0.00 C ATOM 476 O GLY A 31 44.748 6.104 -6.153 1.00 0.00 O ATOM 0 H GLY A 31 48.172 6.885 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.282 8.104 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.572 8.205 -8.109 1.00 0.00 H new ATOM 480 N LYS A 32 45.411 5.339 -8.111 1.00 0.00 N ATOM 481 CA LYS A 32 44.676 4.052 -7.917 1.00 0.00 C ATOM 482 C LYS A 32 45.480 3.123 -6.999 1.00 0.00 C ATOM 483 O LYS A 32 46.672 3.294 -6.825 1.00 0.00 O ATOM 484 CB LYS A 32 44.515 3.455 -9.323 1.00 0.00 C ATOM 485 CG LYS A 32 45.888 3.149 -9.932 1.00 0.00 C ATOM 486 CD LYS A 32 46.193 1.655 -9.786 1.00 0.00 C ATOM 487 CE LYS A 32 45.638 0.900 -10.996 1.00 0.00 C ATOM 488 NZ LYS A 32 46.717 0.972 -12.020 1.00 0.00 N ATOM 0 H LYS A 32 45.918 5.420 -8.993 1.00 0.00 H new ATOM 0 HA LYS A 32 43.706 4.194 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 43.921 2.543 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 32 43.974 4.153 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 45.902 3.432 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.658 3.738 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.269 1.499 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.748 1.270 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.402 -0.134 -10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 32 44.718 1.357 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.412 0.476 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 46.915 1.968 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 47.578 0.523 -11.649 1.00 0.00 H new ATOM 502 N CYS A 33 44.834 2.153 -6.405 1.00 0.00 N ATOM 503 CA CYS A 33 45.555 1.219 -5.485 1.00 0.00 C ATOM 504 C CYS A 33 46.158 0.048 -6.271 1.00 0.00 C ATOM 505 O CYS A 33 45.460 -0.685 -6.943 1.00 0.00 O ATOM 506 CB CYS A 33 44.487 0.721 -4.507 1.00 0.00 C ATOM 507 SG CYS A 33 43.824 2.121 -3.567 1.00 0.00 S ATOM 0 H CYS A 33 43.837 1.966 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 33 46.382 1.708 -4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.685 0.223 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.916 -0.015 -3.828 1.00 0.00 H new ATOM 512 N ARG A 34 47.454 -0.129 -6.185 1.00 0.00 N ATOM 513 CA ARG A 34 48.118 -1.247 -6.921 1.00 0.00 C ATOM 514 C ARG A 34 48.156 -2.517 -6.038 1.00 0.00 C ATOM 515 O ARG A 34 48.652 -2.452 -4.929 1.00 0.00 O ATOM 516 CB ARG A 34 49.537 -0.745 -7.193 1.00 0.00 C ATOM 517 CG ARG A 34 49.602 -0.124 -8.588 1.00 0.00 C ATOM 518 CD ARG A 34 49.672 -1.235 -9.637 1.00 0.00 C ATOM 519 NE ARG A 34 50.495 -0.671 -10.742 1.00 0.00 N ATOM 520 CZ ARG A 34 51.737 -1.045 -10.887 1.00 0.00 C ATOM 521 NH1 ARG A 34 52.014 -2.239 -11.334 1.00 0.00 N ATOM 522 NH2 ARG A 34 52.706 -0.223 -10.587 1.00 0.00 N ATOM 0 H ARG A 34 48.082 0.456 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 34 47.592 -1.512 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.823 -0.008 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.246 -1.569 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.725 0.500 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.475 0.523 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.127 -2.137 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 34 48.677 -1.511 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 34 50.088 0.008 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 34 51.259 -2.883 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.985 -2.529 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 34 52.492 0.712 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 34 53.677 -0.516 -10.700 1.00 0.00 H new ATOM 536 N PRO A 35 47.642 -3.641 -6.528 1.00 0.00 N ATOM 537 CA PRO A 35 47.654 -4.879 -5.711 1.00 0.00 C ATOM 538 C PRO A 35 49.092 -5.325 -5.433 1.00 0.00 C ATOM 539 O PRO A 35 49.766 -5.853 -6.299 1.00 0.00 O ATOM 540 CB PRO A 35 46.923 -5.891 -6.601 1.00 0.00 C ATOM 541 CG PRO A 35 46.518 -5.195 -7.911 1.00 0.00 C ATOM 542 CD PRO A 35 47.028 -3.748 -7.881 1.00 0.00 C ATOM 0 HA PRO A 35 47.186 -4.759 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.568 -6.745 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.041 -6.276 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 35 46.938 -5.725 -8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.434 -5.211 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.755 -3.559 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.218 -3.031 -8.015 1.00 0.00 H new ATOM 550 N PHE A 36 49.557 -5.123 -4.228 1.00 0.00 N ATOM 551 CA PHE A 36 50.947 -5.539 -3.877 1.00 0.00 C ATOM 552 C PHE A 36 50.910 -6.851 -3.085 1.00 0.00 C ATOM 553 O PHE A 36 49.858 -7.431 -2.877 1.00 0.00 O ATOM 554 CB PHE A 36 51.536 -4.382 -3.041 1.00 0.00 C ATOM 555 CG PHE A 36 50.893 -4.303 -1.668 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.696 -3.607 -1.495 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.504 -4.917 -0.572 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.106 -3.522 -0.230 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.915 -4.830 0.695 1.00 0.00 C ATOM 560 CZ PHE A 36 49.717 -4.133 0.866 1.00 0.00 C ATOM 0 H PHE A 36 49.032 -4.687 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 36 51.562 -5.723 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.612 -4.521 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.388 -3.439 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.223 -3.132 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.430 -5.458 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.178 -2.984 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.388 -5.303 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.264 -4.067 1.844 1.00 0.00 H new ATOM 570 N LYS A 37 52.047 -7.324 -2.649 1.00 0.00 N ATOM 571 CA LYS A 37 52.082 -8.603 -1.881 1.00 0.00 C ATOM 572 C LYS A 37 52.233 -8.340 -0.379 1.00 0.00 C ATOM 573 O LYS A 37 53.337 -8.242 0.120 1.00 0.00 O ATOM 574 CB LYS A 37 53.319 -9.340 -2.406 1.00 0.00 C ATOM 575 CG LYS A 37 52.898 -10.419 -3.403 1.00 0.00 C ATOM 576 CD LYS A 37 54.146 -11.079 -3.993 1.00 0.00 C ATOM 577 CE LYS A 37 54.767 -10.162 -5.052 1.00 0.00 C ATOM 578 NZ LYS A 37 55.675 -11.041 -5.843 1.00 0.00 N ATOM 0 H LYS A 37 52.954 -6.880 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 37 51.162 -9.174 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 53.997 -8.634 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.863 -9.792 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.278 -11.166 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.295 -9.980 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.870 -11.280 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 37 53.885 -12.039 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.000 -9.715 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 37 55.316 -9.342 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 56.137 -10.482 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 56.399 -11.447 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.124 -11.809 -6.277 1.00 0.00 H new ATOM 592 N TYR A 38 51.139 -8.256 0.357 1.00 0.00 N ATOM 593 CA TYR A 38 51.255 -8.035 1.838 1.00 0.00 C ATOM 594 C TYR A 38 52.108 -9.157 2.439 1.00 0.00 C ATOM 595 O TYR A 38 52.010 -10.303 2.039 1.00 0.00 O ATOM 596 CB TYR A 38 49.816 -8.052 2.384 1.00 0.00 C ATOM 597 CG TYR A 38 49.786 -7.542 3.816 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.503 -6.389 4.182 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.042 -8.232 4.781 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.472 -5.934 5.508 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.015 -7.778 6.106 1.00 0.00 C ATOM 602 CZ TYR A 38 49.729 -6.632 6.469 1.00 0.00 C ATOM 603 OH TYR A 38 49.708 -6.196 7.781 1.00 0.00 O ATOM 0 H TYR A 38 50.187 -8.330 -0.000 1.00 0.00 H new ATOM 0 HA TYR A 38 51.738 -7.091 2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.175 -7.432 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.417 -9.066 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.078 -5.853 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.488 -9.116 4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.020 -5.047 5.788 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.442 -8.314 6.848 1.00 0.00 H new ATOM 0 HH TYR A 38 50.458 -5.584 7.934 1.00 0.00 H new ATOM 613 N SER A 39 52.987 -8.821 3.347 1.00 0.00 N ATOM 614 CA SER A 39 53.904 -9.850 3.926 1.00 0.00 C ATOM 615 C SER A 39 53.330 -10.539 5.167 1.00 0.00 C ATOM 616 O SER A 39 54.019 -10.709 6.145 1.00 0.00 O ATOM 617 CB SER A 39 55.186 -9.085 4.272 1.00 0.00 C ATOM 618 OG SER A 39 56.271 -9.643 3.543 1.00 0.00 O ATOM 0 H SER A 39 53.110 -7.877 3.714 1.00 0.00 H new ATOM 0 HA SER A 39 54.070 -10.659 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 55.072 -8.029 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 39 55.382 -9.144 5.343 1.00 0.00 H new ATOM 0 HG SER A 39 56.795 -10.226 4.131 1.00 0.00 H new ATOM 624 N GLY A 40 52.109 -11.002 5.105 1.00 0.00 N ATOM 625 CA GLY A 40 51.538 -11.765 6.258 1.00 0.00 C ATOM 626 C GLY A 40 51.068 -10.887 7.425 1.00 0.00 C ATOM 627 O GLY A 40 49.904 -10.922 7.786 1.00 0.00 O ATOM 0 H GLY A 40 51.482 -10.886 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.696 -12.360 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 40 52.290 -12.464 6.624 1.00 0.00 H new ATOM 631 N CYS A 41 51.957 -10.169 8.082 1.00 0.00 N ATOM 632 CA CYS A 41 51.509 -9.389 9.287 1.00 0.00 C ATOM 633 C CYS A 41 52.369 -8.160 9.602 1.00 0.00 C ATOM 634 O CYS A 41 53.474 -8.002 9.121 1.00 0.00 O ATOM 635 CB CYS A 41 51.539 -10.375 10.482 1.00 0.00 C ATOM 636 SG CYS A 41 52.833 -11.679 10.348 1.00 0.00 S ATOM 0 H CYS A 41 52.946 -10.090 7.845 1.00 0.00 H new ATOM 0 HA CYS A 41 50.515 -8.989 9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 41 51.700 -9.811 11.401 1.00 0.00 H new ATOM 0 HB3 CYS A 41 50.564 -10.854 10.569 1.00 0.00 H new ATOM 641 N GLY A 42 51.831 -7.288 10.437 1.00 0.00 N ATOM 642 CA GLY A 42 52.546 -6.043 10.840 1.00 0.00 C ATOM 643 C GLY A 42 52.331 -4.974 9.771 1.00 0.00 C ATOM 644 O GLY A 42 51.775 -5.243 8.725 1.00 0.00 O ATOM 0 H GLY A 42 50.909 -7.398 10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.175 -5.692 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.610 -6.244 10.962 1.00 0.00 H new ATOM 648 N GLY A 43 52.791 -3.771 10.010 1.00 0.00 N ATOM 649 CA GLY A 43 52.639 -2.695 8.982 1.00 0.00 C ATOM 650 C GLY A 43 51.725 -1.574 9.475 1.00 0.00 C ATOM 651 O GLY A 43 51.155 -1.647 10.547 1.00 0.00 O ATOM 0 H GLY A 43 53.263 -3.488 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.618 -2.285 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.232 -3.121 8.065 1.00 0.00 H new ATOM 655 N ASN A 44 51.576 -0.536 8.678 1.00 0.00 N ATOM 656 CA ASN A 44 50.684 0.597 9.070 1.00 0.00 C ATOM 657 C ASN A 44 49.245 0.071 9.171 1.00 0.00 C ATOM 658 O ASN A 44 49.027 -1.093 9.454 1.00 0.00 O ATOM 659 CB ASN A 44 50.815 1.635 7.940 1.00 0.00 C ATOM 660 CG ASN A 44 50.586 3.042 8.505 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.724 3.239 9.338 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.321 4.035 8.084 1.00 0.00 N ATOM 0 H ASN A 44 52.036 -0.430 7.774 1.00 0.00 H new ATOM 0 HA ASN A 44 50.948 1.038 10.031 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.804 1.571 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.090 1.425 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.171 4.973 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.046 3.873 7.385 1.00 0.00 H new ATOM 669 N GLU A 45 48.267 0.896 8.931 1.00 0.00 N ATOM 670 CA GLU A 45 46.858 0.421 9.004 1.00 0.00 C ATOM 671 C GLU A 45 46.119 0.809 7.721 1.00 0.00 C ATOM 672 O GLU A 45 44.915 0.981 7.716 1.00 0.00 O ATOM 673 CB GLU A 45 46.268 1.136 10.218 1.00 0.00 C ATOM 674 CG GLU A 45 46.729 0.432 11.497 1.00 0.00 C ATOM 675 CD GLU A 45 45.738 0.726 12.626 1.00 0.00 C ATOM 676 OE1 GLU A 45 45.773 1.828 13.145 1.00 0.00 O ATOM 677 OE2 GLU A 45 44.963 -0.158 12.951 1.00 0.00 O ATOM 0 H GLU A 45 48.382 1.880 8.687 1.00 0.00 H new ATOM 0 HA GLU A 45 46.777 -0.662 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.585 2.179 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.179 1.135 10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 45 46.797 -0.643 11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 45 47.726 0.775 11.775 1.00 0.00 H new ATOM 684 N ASN A 46 46.838 0.943 6.630 1.00 0.00 N ATOM 685 CA ASN A 46 46.188 1.320 5.340 1.00 0.00 C ATOM 686 C ASN A 46 46.107 0.101 4.418 1.00 0.00 C ATOM 687 O ASN A 46 46.122 0.226 3.207 1.00 0.00 O ATOM 688 CB ASN A 46 47.100 2.391 4.739 1.00 0.00 C ATOM 689 CG ASN A 46 46.438 2.998 3.500 1.00 0.00 C ATOM 690 OD1 ASN A 46 45.366 3.730 3.643 1.00 0.00 O flip ATOM 691 ND2 ASN A 46 46.899 2.805 2.393 1.00 0.00 N flip ATOM 0 H ASN A 46 47.848 0.807 6.581 1.00 0.00 H new ATOM 0 HA ASN A 46 45.169 1.683 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.297 3.170 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.062 1.954 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 46 47.736 2.233 2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 46 46.449 3.215 1.575 1.00 0.00 H new ATOM 698 N ASN A 47 46.018 -1.074 4.985 1.00 0.00 N ATOM 699 CA ASN A 47 45.934 -2.311 4.153 1.00 0.00 C ATOM 700 C ASN A 47 44.491 -2.547 3.700 1.00 0.00 C ATOM 701 O ASN A 47 43.644 -2.935 4.482 1.00 0.00 O ATOM 702 CB ASN A 47 46.396 -3.440 5.075 1.00 0.00 C ATOM 703 CG ASN A 47 47.921 -3.554 5.025 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.646 -2.779 5.783 1.00 0.00 O flip ATOM 705 ND2 ASN A 47 48.457 -4.359 4.288 1.00 0.00 N flip ATOM 0 H ASN A 47 46.000 -1.230 5.993 1.00 0.00 H new ATOM 0 HA ASN A 47 46.543 -2.244 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 47 46.069 -3.245 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.941 -4.382 4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 47 47.889 -4.965 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 47 49.474 -4.428 4.262 1.00 0.00 H new ATOM 712 N PHE A 48 44.210 -2.315 2.443 1.00 0.00 N ATOM 713 CA PHE A 48 42.822 -2.524 1.930 1.00 0.00 C ATOM 714 C PHE A 48 42.653 -3.954 1.420 1.00 0.00 C ATOM 715 O PHE A 48 43.497 -4.477 0.717 1.00 0.00 O ATOM 716 CB PHE A 48 42.667 -1.533 0.779 1.00 0.00 C ATOM 717 CG PHE A 48 42.593 -0.134 1.329 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.406 0.332 1.907 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.712 0.700 1.259 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.341 1.633 2.418 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.649 1.999 1.768 1.00 0.00 C ATOM 722 CZ PHE A 48 42.464 2.468 2.349 1.00 0.00 C ATOM 0 H PHE A 48 44.883 -1.989 1.749 1.00 0.00 H new ATOM 0 HA PHE A 48 42.074 -2.370 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.509 -1.621 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.766 -1.759 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.541 -0.312 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.626 0.340 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.426 1.993 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.515 2.642 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.416 3.472 2.743 1.00 0.00 H new ATOM 732 N THR A 49 41.561 -4.583 1.766 1.00 0.00 N ATOM 733 CA THR A 49 41.317 -5.981 1.301 1.00 0.00 C ATOM 734 C THR A 49 40.773 -5.977 -0.136 1.00 0.00 C ATOM 735 O THR A 49 40.865 -6.965 -0.840 1.00 0.00 O ATOM 736 CB THR A 49 40.280 -6.556 2.276 1.00 0.00 C ATOM 737 OG1 THR A 49 39.978 -7.892 1.903 1.00 0.00 O ATOM 738 CG2 THR A 49 38.996 -5.717 2.249 1.00 0.00 C ATOM 0 H THR A 49 40.825 -4.188 2.352 1.00 0.00 H new ATOM 0 HA THR A 49 42.230 -6.576 1.289 1.00 0.00 H new ATOM 0 HB THR A 49 40.692 -6.534 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.317 -8.264 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.271 -6.138 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.225 -4.692 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.578 -5.724 1.242 1.00 0.00 H new ATOM 746 N SER A 50 40.207 -4.876 -0.572 1.00 0.00 N ATOM 747 CA SER A 50 39.657 -4.811 -1.960 1.00 0.00 C ATOM 748 C SER A 50 39.940 -3.441 -2.586 1.00 0.00 C ATOM 749 O SER A 50 40.271 -2.491 -1.901 1.00 0.00 O ATOM 750 CB SER A 50 38.153 -5.025 -1.796 1.00 0.00 C ATOM 751 OG SER A 50 37.578 -5.308 -3.065 1.00 0.00 O ATOM 0 H SER A 50 40.103 -4.021 -0.025 1.00 0.00 H new ATOM 0 HA SER A 50 40.109 -5.554 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.964 -5.848 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.692 -4.136 -1.365 1.00 0.00 H new ATOM 0 HG SER A 50 36.613 -5.448 -2.963 1.00 0.00 H new ATOM 757 N LYS A 51 39.812 -3.339 -3.884 1.00 0.00 N ATOM 758 CA LYS A 51 40.071 -2.038 -4.573 1.00 0.00 C ATOM 759 C LYS A 51 38.858 -1.109 -4.441 1.00 0.00 C ATOM 760 O LYS A 51 38.987 0.100 -4.484 1.00 0.00 O ATOM 761 CB LYS A 51 40.305 -2.409 -6.040 1.00 0.00 C ATOM 762 CG LYS A 51 41.070 -1.284 -6.742 1.00 0.00 C ATOM 763 CD LYS A 51 40.954 -1.460 -8.258 1.00 0.00 C ATOM 764 CE LYS A 51 41.718 -0.337 -8.965 1.00 0.00 C ATOM 765 NZ LYS A 51 41.494 -0.573 -10.418 1.00 0.00 N ATOM 0 H LYS A 51 39.538 -4.105 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 51 40.920 -1.507 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.868 -3.340 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 51 39.351 -2.579 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.668 -0.315 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 51 42.118 -1.299 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.356 -2.429 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.906 -1.445 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.348 0.643 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 42.780 -0.367 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 41.988 0.158 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 41.862 -1.510 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 40.475 -0.532 -10.623 1.00 0.00 H new ATOM 779 N GLN A 52 37.683 -1.667 -4.282 1.00 0.00 N ATOM 780 CA GLN A 52 36.458 -0.819 -4.150 1.00 0.00 C ATOM 781 C GLN A 52 36.506 -0.022 -2.845 1.00 0.00 C ATOM 782 O GLN A 52 36.113 1.128 -2.800 1.00 0.00 O ATOM 783 CB GLN A 52 35.283 -1.800 -4.136 1.00 0.00 C ATOM 784 CG GLN A 52 33.979 -1.043 -4.397 1.00 0.00 C ATOM 785 CD GLN A 52 32.792 -1.992 -4.215 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.388 -2.662 -5.143 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.213 -2.078 -3.048 1.00 0.00 N ATOM 0 H GLN A 52 37.519 -2.673 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 52 36.371 -0.098 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.428 -2.568 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 52 35.233 -2.310 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.892 -0.200 -3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.980 -0.634 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.552 -1.515 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.422 -2.708 -2.917 1.00 0.00 H new ATOM 796 N GLU A 53 36.986 -0.625 -1.787 1.00 0.00 N ATOM 797 CA GLU A 53 37.065 0.097 -0.482 1.00 0.00 C ATOM 798 C GLU A 53 38.289 1.014 -0.465 1.00 0.00 C ATOM 799 O GLU A 53 38.295 2.044 0.183 1.00 0.00 O ATOM 800 CB GLU A 53 37.196 -0.999 0.577 1.00 0.00 C ATOM 801 CG GLU A 53 36.907 -0.409 1.959 1.00 0.00 C ATOM 802 CD GLU A 53 36.533 -1.534 2.925 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.896 -2.478 2.487 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.888 -1.430 4.087 1.00 0.00 O ATOM 0 H GLU A 53 37.327 -1.586 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 53 36.193 0.726 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.501 -1.811 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.199 -1.424 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.782 0.126 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.095 0.315 1.895 1.00 0.00 H new ATOM 811 N CYS A 54 39.325 0.647 -1.179 1.00 0.00 N ATOM 812 CA CYS A 54 40.555 1.497 -1.218 1.00 0.00 C ATOM 813 C CYS A 54 40.217 2.883 -1.775 1.00 0.00 C ATOM 814 O CYS A 54 40.548 3.896 -1.184 1.00 0.00 O ATOM 815 CB CYS A 54 41.522 0.767 -2.152 1.00 0.00 C ATOM 816 SG CYS A 54 43.215 1.312 -1.821 1.00 0.00 S ATOM 0 H CYS A 54 39.372 -0.206 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 54 40.985 1.644 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.441 -0.310 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.261 0.968 -3.191 1.00 0.00 H new ATOM 821 N LEU A 55 39.553 2.932 -2.902 1.00 0.00 N ATOM 822 CA LEU A 55 39.183 4.251 -3.500 1.00 0.00 C ATOM 823 C LEU A 55 38.061 4.899 -2.683 1.00 0.00 C ATOM 824 O LEU A 55 38.095 6.080 -2.391 1.00 0.00 O ATOM 825 CB LEU A 55 38.692 3.927 -4.913 1.00 0.00 C ATOM 826 CG LEU A 55 39.882 3.875 -5.870 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.473 3.142 -7.147 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.321 5.298 -6.219 1.00 0.00 C ATOM 0 H LEU A 55 39.251 2.116 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 55 40.021 4.949 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.168 2.971 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.979 4.683 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 55 40.709 3.347 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.320 3.103 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 39.160 2.128 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.647 3.671 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.170 5.260 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.496 5.827 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.611 5.823 -5.309 1.00 0.00 H new ATOM 840 N ARG A 56 37.071 4.126 -2.316 1.00 0.00 N ATOM 841 CA ARG A 56 35.932 4.676 -1.517 1.00 0.00 C ATOM 842 C ARG A 56 36.422 5.201 -0.163 1.00 0.00 C ATOM 843 O ARG A 56 35.755 5.993 0.476 1.00 0.00 O ATOM 844 CB ARG A 56 34.981 3.493 -1.304 1.00 0.00 C ATOM 845 CG ARG A 56 34.035 3.362 -2.502 1.00 0.00 C ATOM 846 CD ARG A 56 33.075 2.191 -2.268 1.00 0.00 C ATOM 847 NE ARG A 56 32.280 2.079 -3.523 1.00 0.00 N ATOM 848 CZ ARG A 56 31.008 2.369 -3.517 1.00 0.00 C ATOM 849 NH1 ARG A 56 30.135 1.475 -3.136 1.00 0.00 N ATOM 850 NH2 ARG A 56 30.608 3.553 -3.891 1.00 0.00 N ATOM 0 H ARG A 56 37.001 3.132 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 56 35.450 5.510 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.553 2.574 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.406 3.638 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.473 4.286 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 56 34.608 3.200 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.621 1.270 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.430 2.376 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 56 32.730 1.776 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.448 0.549 -2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.141 1.703 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.290 4.251 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 56 29.614 3.780 -3.887 1.00 0.00 H new ATOM 864 N ALA A 57 37.572 4.758 0.285 1.00 0.00 N ATOM 865 CA ALA A 57 38.092 5.222 1.604 1.00 0.00 C ATOM 866 C ALA A 57 38.957 6.476 1.438 1.00 0.00 C ATOM 867 O ALA A 57 38.591 7.549 1.880 1.00 0.00 O ATOM 868 CB ALA A 57 38.932 4.060 2.129 1.00 0.00 C ATOM 0 H ALA A 57 38.171 4.095 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 57 37.286 5.489 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.351 4.324 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.304 3.175 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.741 3.851 1.429 1.00 0.00 H new ATOM 874 N CYS A 58 40.103 6.349 0.809 1.00 0.00 N ATOM 875 CA CYS A 58 40.988 7.538 0.627 1.00 0.00 C ATOM 876 C CYS A 58 40.408 8.462 -0.450 1.00 0.00 C ATOM 877 O CYS A 58 40.276 9.656 -0.245 1.00 0.00 O ATOM 878 CB CYS A 58 42.351 6.979 0.197 1.00 0.00 C ATOM 879 SG CYS A 58 43.674 8.031 0.855 1.00 0.00 S ATOM 0 H CYS A 58 40.459 5.477 0.417 1.00 0.00 H new ATOM 0 HA CYS A 58 41.076 8.129 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.468 5.959 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.412 6.938 -0.891 1.00 0.00 H new ATOM 884 N LYS A 59 40.048 7.922 -1.591 1.00 0.00 N ATOM 885 CA LYS A 59 39.469 8.775 -2.671 1.00 0.00 C ATOM 886 C LYS A 59 37.943 8.832 -2.538 1.00 0.00 C ATOM 887 O LYS A 59 37.218 8.571 -3.481 1.00 0.00 O ATOM 888 CB LYS A 59 39.875 8.098 -3.977 1.00 0.00 C ATOM 889 CG LYS A 59 39.656 9.069 -5.139 1.00 0.00 C ATOM 890 CD LYS A 59 40.078 8.402 -6.450 1.00 0.00 C ATOM 891 CE LYS A 59 40.084 9.439 -7.579 1.00 0.00 C ATOM 892 NZ LYS A 59 41.432 9.327 -8.205 1.00 0.00 N ATOM 0 H LYS A 59 40.131 6.931 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 59 39.828 9.803 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.921 7.795 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 59 39.287 7.193 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.607 9.362 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 59 40.234 9.979 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 59 41.069 7.962 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 59 39.393 7.590 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 59 39.295 9.237 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.912 10.443 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 41.509 10.008 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 42.163 9.532 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 41.566 8.363 -8.571 1.00 0.00 H new ATOM 906 N LYS A 60 37.456 9.176 -1.373 1.00 0.00 N ATOM 907 CA LYS A 60 35.973 9.258 -1.162 1.00 0.00 C ATOM 908 C LYS A 60 35.350 10.256 -2.145 1.00 0.00 C ATOM 909 O LYS A 60 35.747 11.404 -2.210 1.00 0.00 O ATOM 910 CB LYS A 60 35.792 9.738 0.285 1.00 0.00 C ATOM 911 CG LYS A 60 36.475 11.098 0.479 1.00 0.00 C ATOM 912 CD LYS A 60 36.992 11.214 1.915 1.00 0.00 C ATOM 913 CE LYS A 60 38.045 12.322 1.991 1.00 0.00 C ATOM 914 NZ LYS A 60 38.392 12.423 3.436 1.00 0.00 N ATOM 0 H LYS A 60 38.020 9.405 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 60 35.483 8.299 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 60 34.731 9.819 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.216 9.008 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 60 37.300 11.205 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.771 11.903 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 36.167 11.434 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.423 10.265 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 60 38.921 12.076 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 60 37.653 13.266 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 39.110 13.163 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 37.540 12.664 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 38.768 11.512 3.767 1.00 0.00 H new ATOM 928 N GLY A 61 34.375 9.824 -2.906 1.00 0.00 N ATOM 929 CA GLY A 61 33.721 10.742 -3.888 1.00 0.00 C ATOM 930 C GLY A 61 32.223 10.439 -3.953 1.00 0.00 C ATOM 931 O GLY A 61 31.835 9.639 -4.788 1.00 0.00 O ATOM 932 OXT GLY A 61 31.489 11.013 -3.166 1.00 0.00 O ATOM 0 H GLY A 61 34.004 8.874 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 61 33.880 11.779 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.171 10.618 -4.873 1.00 0.00 H new TER 936 GLY A 61