USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 49 THR OG1 : rot 180:sc= 0.245 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0.24,f=0.39) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 167:sc= 1.11 (180deg=1.02) USER MOD Single : A 4 TYR OH : rot 94:sc= 0.314 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= 0.371 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 2.45 (180deg=1.92) USER MOD Single : A 22 ASN : amide:sc= 1.47 K(o=1.5,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.467 K(o=0.47,f=-2.2!) USER MOD Single : A 33 TYR OH : rot -147:sc= 1.08 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc=-0.000297 USER MOD Single : A 37 SER OG : rot -55:sc= 1.34 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.460 35.256 37.036 1.00 0.00 N ATOM 2 CA LYS A 1 26.637 34.353 37.051 1.00 0.00 C ATOM 3 C LYS A 1 26.661 33.460 35.809 1.00 0.00 C ATOM 4 O LYS A 1 25.645 32.856 35.476 1.00 0.00 O ATOM 5 CB LYS A 1 26.685 33.522 38.348 1.00 0.00 C ATOM 6 CG LYS A 1 27.918 32.608 38.441 1.00 0.00 C ATOM 7 CD LYS A 1 27.927 31.758 39.718 1.00 0.00 C ATOM 8 CE LYS A 1 28.505 32.508 40.926 1.00 0.00 C ATOM 9 NZ LYS A 1 28.629 31.617 42.102 1.00 0.00 N ATOM 0 H1 LYS A 1 25.468 35.851 37.889 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.498 35.862 36.191 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.588 34.689 37.017 1.00 0.00 H new ATOM 0 HA LYS A 1 27.534 34.971 37.027 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.677 34.197 39.204 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.784 32.912 38.414 1.00 0.00 H new ATOM 0 HG2 LYS A 1 27.945 31.951 37.572 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.821 33.218 38.408 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.909 31.441 39.946 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.511 30.854 39.544 1.00 0.00 H new ATOM 0 HE2 LYS A 1 29.483 32.915 40.670 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.863 33.353 41.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 29.217 32.077 42.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 27.685 31.425 42.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.073 30.722 41.814 1.00 0.00 H new ATOM 25 N GLU A 2 27.821 33.342 35.160 1.00 0.00 N ATOM 26 CA GLU A 2 28.070 32.549 33.939 1.00 0.00 C ATOM 27 C GLU A 2 29.109 31.424 34.183 1.00 0.00 C ATOM 28 O GLU A 2 29.888 31.526 35.134 1.00 0.00 O ATOM 29 CB GLU A 2 28.561 33.465 32.799 1.00 0.00 C ATOM 30 CG GLU A 2 27.758 34.750 32.523 1.00 0.00 C ATOM 31 CD GLU A 2 27.960 35.875 33.558 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.117 36.192 33.933 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.947 36.465 34.011 1.00 0.00 O ATOM 0 H GLU A 2 28.662 33.820 35.484 1.00 0.00 H new ATOM 0 HA GLU A 2 27.126 32.082 33.657 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.590 33.752 33.017 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.582 32.878 31.881 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.032 35.128 31.538 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.698 34.498 32.484 1.00 0.00 H new ATOM 40 N GLY A 3 29.156 30.365 33.358 1.00 0.00 N ATOM 41 CA GLY A 3 30.129 29.265 33.529 1.00 0.00 C ATOM 42 C GLY A 3 30.047 28.105 32.516 1.00 0.00 C ATOM 43 O GLY A 3 29.082 27.986 31.762 1.00 0.00 O ATOM 0 H GLY A 3 28.530 30.244 32.562 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.133 29.688 33.482 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.004 28.852 34.530 1.00 0.00 H new ATOM 47 N TYR A 4 31.064 27.233 32.496 1.00 0.00 N ATOM 48 CA TYR A 4 31.208 26.113 31.547 1.00 0.00 C ATOM 49 C TYR A 4 30.409 24.845 31.910 1.00 0.00 C ATOM 50 O TYR A 4 30.222 24.518 33.085 1.00 0.00 O ATOM 51 CB TYR A 4 32.697 25.750 31.395 1.00 0.00 C ATOM 52 CG TYR A 4 33.433 26.465 30.279 1.00 0.00 C ATOM 53 CD1 TYR A 4 32.999 26.312 28.947 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.560 27.263 30.557 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.652 26.986 27.902 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.231 27.925 29.509 1.00 0.00 C ATOM 57 CZ TYR A 4 34.775 27.791 28.181 1.00 0.00 C ATOM 58 OH TYR A 4 35.420 28.418 27.164 1.00 0.00 O ATOM 0 H TYR A 4 31.836 27.287 33.160 1.00 0.00 H new ATOM 0 HA TYR A 4 30.786 26.472 30.609 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.203 25.965 32.336 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.776 24.676 31.229 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.158 25.671 28.728 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.910 27.368 31.573 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.295 26.888 26.888 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.096 28.536 29.723 1.00 0.00 H new ATOM 0 HH TYR A 4 35.069 29.327 27.065 1.00 0.00 H new ATOM 68 N LEU A 5 29.994 24.075 30.895 1.00 0.00 N ATOM 69 CA LEU A 5 29.319 22.774 31.044 1.00 0.00 C ATOM 70 C LEU A 5 30.259 21.671 31.601 1.00 0.00 C ATOM 71 O LEU A 5 31.444 21.641 31.261 1.00 0.00 O ATOM 72 CB LEU A 5 28.702 22.412 29.679 1.00 0.00 C ATOM 73 CG LEU A 5 27.690 21.251 29.694 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.461 21.547 30.558 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.211 20.992 28.265 1.00 0.00 C ATOM 0 H LEU A 5 30.121 24.345 29.920 1.00 0.00 H new ATOM 0 HA LEU A 5 28.529 22.848 31.792 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.207 23.297 29.278 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.509 22.158 28.991 1.00 0.00 H new ATOM 0 HG LEU A 5 28.201 20.386 30.117 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.783 20.694 30.531 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.774 21.729 31.586 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.950 22.429 30.173 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.494 20.171 28.265 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.735 21.890 27.873 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.063 20.729 27.638 1.00 0.00 H new ATOM 87 N VAL A 6 29.740 20.765 32.447 1.00 0.00 N ATOM 88 CA VAL A 6 30.530 19.775 33.217 1.00 0.00 C ATOM 89 C VAL A 6 29.941 18.356 33.202 1.00 0.00 C ATOM 90 O VAL A 6 28.720 18.180 33.163 1.00 0.00 O ATOM 91 CB VAL A 6 30.723 20.262 34.674 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.533 19.996 35.605 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.977 19.659 35.318 1.00 0.00 C ATOM 0 H VAL A 6 28.738 20.695 32.622 1.00 0.00 H new ATOM 0 HA VAL A 6 31.495 19.703 32.715 1.00 0.00 H new ATOM 0 HB VAL A 6 30.824 21.342 34.569 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.761 20.371 36.603 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.649 20.503 35.219 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.343 18.924 35.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.074 20.027 36.339 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.893 18.572 35.330 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.856 19.948 34.743 1.00 0.00 H new ATOM 103 N SER A 7 30.819 17.354 33.315 1.00 0.00 N ATOM 104 CA SER A 7 30.490 15.940 33.549 1.00 0.00 C ATOM 105 C SER A 7 30.887 15.493 34.968 1.00 0.00 C ATOM 106 O SER A 7 31.997 15.756 35.435 1.00 0.00 O ATOM 107 CB SER A 7 31.158 15.070 32.479 1.00 0.00 C ATOM 108 OG SER A 7 30.480 15.209 31.243 1.00 0.00 O ATOM 0 H SER A 7 31.824 17.511 33.243 1.00 0.00 H new ATOM 0 HA SER A 7 29.409 15.818 33.473 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.202 15.360 32.364 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.150 14.026 32.791 1.00 0.00 H new ATOM 0 HG SER A 7 30.916 14.650 30.566 1.00 0.00 H new ATOM 114 N LYS A 8 29.973 14.814 35.675 1.00 0.00 N ATOM 115 CA LYS A 8 30.014 14.565 37.138 1.00 0.00 C ATOM 116 C LYS A 8 30.906 13.395 37.602 1.00 0.00 C ATOM 117 O LYS A 8 31.013 13.133 38.804 1.00 0.00 O ATOM 118 CB LYS A 8 28.568 14.420 37.660 1.00 0.00 C ATOM 119 CG LYS A 8 27.667 15.652 37.436 1.00 0.00 C ATOM 120 CD LYS A 8 28.145 16.891 38.206 1.00 0.00 C ATOM 121 CE LYS A 8 27.198 18.082 38.015 1.00 0.00 C ATOM 122 NZ LYS A 8 27.589 19.204 38.898 1.00 0.00 N ATOM 0 H LYS A 8 29.150 14.404 35.234 1.00 0.00 H new ATOM 0 HA LYS A 8 30.504 15.434 37.578 1.00 0.00 H new ATOM 0 HB2 LYS A 8 28.108 13.559 37.175 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.603 14.204 38.728 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.634 15.883 36.371 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.649 15.411 37.742 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.220 16.653 39.267 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.145 17.164 37.869 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.218 18.407 36.975 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.174 17.779 38.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 26.816 19.408 39.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.444 18.945 39.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.782 20.048 38.322 1.00 0.00 H new ATOM 136 N SER A 9 31.544 12.683 36.675 1.00 0.00 N ATOM 137 CA SER A 9 32.497 11.595 36.954 1.00 0.00 C ATOM 138 C SER A 9 33.783 11.691 36.118 1.00 0.00 C ATOM 139 O SER A 9 34.852 11.293 36.586 1.00 0.00 O ATOM 140 CB SER A 9 31.804 10.252 36.706 1.00 0.00 C ATOM 141 OG SER A 9 32.553 9.200 37.280 1.00 0.00 O ATOM 0 H SER A 9 31.412 12.847 35.677 1.00 0.00 H new ATOM 0 HA SER A 9 32.803 11.683 37.996 1.00 0.00 H new ATOM 0 HB2 SER A 9 30.801 10.268 37.133 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.692 10.085 35.635 1.00 0.00 H new ATOM 0 HG SER A 9 32.099 8.347 37.116 1.00 0.00 H new ATOM 147 N THR A 10 33.701 12.251 34.905 1.00 0.00 N ATOM 148 CA THR A 10 34.818 12.356 33.942 1.00 0.00 C ATOM 149 C THR A 10 35.358 13.778 33.737 1.00 0.00 C ATOM 150 O THR A 10 36.365 13.957 33.046 1.00 0.00 O ATOM 151 CB THR A 10 34.398 11.772 32.585 1.00 0.00 C ATOM 152 OG1 THR A 10 33.298 12.496 32.086 1.00 0.00 O ATOM 153 CG2 THR A 10 33.982 10.304 32.700 1.00 0.00 C ATOM 0 H THR A 10 32.835 12.656 34.551 1.00 0.00 H new ATOM 0 HA THR A 10 35.634 11.783 34.383 1.00 0.00 H new ATOM 0 HB THR A 10 35.258 11.844 31.919 1.00 0.00 H new ATOM 0 HG1 THR A 10 33.029 12.126 31.219 1.00 0.00 H new ATOM 0 HG21 THR A 10 33.692 9.930 31.718 1.00 0.00 H new ATOM 0 HG22 THR A 10 34.819 9.717 33.080 1.00 0.00 H new ATOM 0 HG23 THR A 10 33.138 10.218 33.384 1.00 0.00 H new ATOM 161 N GLY A 11 34.724 14.791 34.340 1.00 0.00 N ATOM 162 CA GLY A 11 35.128 16.197 34.264 1.00 0.00 C ATOM 163 C GLY A 11 34.713 16.877 32.958 1.00 0.00 C ATOM 164 O GLY A 11 33.688 17.558 32.911 1.00 0.00 O ATOM 0 H GLY A 11 33.891 14.649 34.911 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.691 16.739 35.102 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.211 16.263 34.372 1.00 0.00 H new ATOM 168 N CYS A 12 35.513 16.710 31.902 1.00 0.00 N ATOM 169 CA CYS A 12 35.388 17.495 30.671 1.00 0.00 C ATOM 170 C CYS A 12 34.341 16.951 29.676 1.00 0.00 C ATOM 171 O CYS A 12 34.206 15.734 29.480 1.00 0.00 O ATOM 172 CB CYS A 12 36.769 17.647 30.012 1.00 0.00 C ATOM 173 SG CYS A 12 36.826 18.918 28.715 1.00 0.00 S ATOM 0 H CYS A 12 36.268 16.025 31.876 1.00 0.00 H new ATOM 0 HA CYS A 12 35.009 18.475 30.961 1.00 0.00 H new ATOM 0 HB2 CYS A 12 37.503 17.892 30.780 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.064 16.689 29.583 1.00 0.00 H new ATOM 178 N LYS A 13 33.652 17.878 29.000 1.00 0.00 N ATOM 179 CA LYS A 13 32.804 17.676 27.809 1.00 0.00 C ATOM 180 C LYS A 13 33.656 17.646 26.515 1.00 0.00 C ATOM 181 O LYS A 13 34.859 17.368 26.569 1.00 0.00 O ATOM 182 CB LYS A 13 31.718 18.782 27.822 1.00 0.00 C ATOM 183 CG LYS A 13 30.737 18.716 29.012 1.00 0.00 C ATOM 184 CD LYS A 13 29.795 17.498 29.023 1.00 0.00 C ATOM 185 CE LYS A 13 28.781 17.517 27.871 1.00 0.00 C ATOM 186 NZ LYS A 13 27.951 16.290 27.843 1.00 0.00 N ATOM 0 H LYS A 13 33.670 18.857 29.286 1.00 0.00 H new ATOM 0 HA LYS A 13 32.309 16.705 27.832 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.211 19.754 27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.147 18.721 26.896 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.314 18.717 29.937 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.132 19.622 29.013 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.388 16.586 28.963 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.259 17.468 29.972 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.135 18.389 27.971 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.310 17.619 26.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.280 16.343 27.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.564 15.459 27.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.426 16.206 28.737 1.00 0.00 H new ATOM 200 N TYR A 14 33.046 17.886 25.354 1.00 0.00 N ATOM 201 CA TYR A 14 33.685 17.845 24.029 1.00 0.00 C ATOM 202 C TYR A 14 33.299 19.079 23.190 1.00 0.00 C ATOM 203 O TYR A 14 32.341 19.789 23.502 1.00 0.00 O ATOM 204 CB TYR A 14 33.314 16.533 23.316 1.00 0.00 C ATOM 205 CG TYR A 14 33.735 15.262 24.039 1.00 0.00 C ATOM 206 CD1 TYR A 14 35.023 14.722 23.843 1.00 0.00 C ATOM 207 CD2 TYR A 14 32.827 14.601 24.891 1.00 0.00 C ATOM 208 CE1 TYR A 14 35.394 13.518 24.475 1.00 0.00 C ATOM 209 CE2 TYR A 14 33.195 13.400 25.528 1.00 0.00 C ATOM 210 CZ TYR A 14 34.474 12.846 25.312 1.00 0.00 C ATOM 211 OH TYR A 14 34.797 11.654 25.884 1.00 0.00 O ATOM 0 H TYR A 14 32.055 18.124 25.304 1.00 0.00 H new ATOM 0 HA TYR A 14 34.767 17.873 24.155 1.00 0.00 H new ATOM 0 HB2 TYR A 14 32.234 16.509 23.172 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.768 16.536 22.325 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.729 15.234 23.205 1.00 0.00 H new ATOM 0 HD2 TYR A 14 31.844 15.018 25.056 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.381 13.109 24.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.496 12.902 26.184 1.00 0.00 H new ATOM 0 HH TYR A 14 34.046 11.338 26.428 1.00 0.00 H new ATOM 221 N GLU A 15 34.056 19.360 22.129 1.00 0.00 N ATOM 222 CA GLU A 15 33.959 20.624 21.378 1.00 0.00 C ATOM 223 C GLU A 15 32.712 20.766 20.471 1.00 0.00 C ATOM 224 O GLU A 15 32.007 19.793 20.182 1.00 0.00 O ATOM 225 CB GLU A 15 35.289 20.883 20.647 1.00 0.00 C ATOM 226 CG GLU A 15 35.584 19.937 19.477 1.00 0.00 C ATOM 227 CD GLU A 15 37.088 19.912 19.186 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.632 20.917 18.669 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.763 18.903 19.514 1.00 0.00 O ATOM 0 H GLU A 15 34.758 18.719 21.760 1.00 0.00 H new ATOM 0 HA GLU A 15 33.794 21.416 22.108 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.287 21.907 20.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.103 20.808 21.368 1.00 0.00 H new ATOM 0 HG2 GLU A 15 35.235 18.932 19.715 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.040 20.262 18.590 1.00 0.00 H new ATOM 236 N CYS A 16 32.417 21.997 20.038 1.00 0.00 N ATOM 237 CA CYS A 16 31.225 22.386 19.276 1.00 0.00 C ATOM 238 C CYS A 16 31.476 22.479 17.755 1.00 0.00 C ATOM 239 O CYS A 16 32.605 22.716 17.307 1.00 0.00 O ATOM 240 CB CYS A 16 30.666 23.699 19.862 1.00 0.00 C ATOM 241 SG CYS A 16 31.486 25.228 19.309 1.00 0.00 S ATOM 0 H CYS A 16 33.034 22.789 20.219 1.00 0.00 H new ATOM 0 HA CYS A 16 30.479 21.599 19.380 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.608 23.765 19.610 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.732 23.647 20.949 1.00 0.00 H new ATOM 246 N LEU A 17 30.415 22.342 16.948 1.00 0.00 N ATOM 247 CA LEU A 17 30.458 22.519 15.485 1.00 0.00 C ATOM 248 C LEU A 17 29.944 23.891 15.000 1.00 0.00 C ATOM 249 O LEU A 17 30.029 24.180 13.803 1.00 0.00 O ATOM 250 CB LEU A 17 29.829 21.302 14.769 1.00 0.00 C ATOM 251 CG LEU A 17 28.319 21.034 14.943 1.00 0.00 C ATOM 252 CD1 LEU A 17 27.425 22.101 14.307 1.00 0.00 C ATOM 253 CD2 LEU A 17 27.959 19.711 14.265 1.00 0.00 C ATOM 0 H LEU A 17 29.487 22.101 17.296 1.00 0.00 H new ATOM 0 HA LEU A 17 31.508 22.544 15.192 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.024 21.410 13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.362 20.412 15.102 1.00 0.00 H new ATOM 0 HG LEU A 17 28.143 21.027 16.019 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.379 21.844 14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.636 23.070 14.760 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.623 22.151 13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.893 19.518 14.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.199 19.769 13.203 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.528 18.901 14.722 1.00 0.00 H new ATOM 265 N LYS A 18 29.435 24.735 15.910 1.00 0.00 N ATOM 266 CA LYS A 18 29.000 26.121 15.666 1.00 0.00 C ATOM 267 C LYS A 18 29.531 27.070 16.748 1.00 0.00 C ATOM 268 O LYS A 18 29.078 27.033 17.890 1.00 0.00 O ATOM 269 CB LYS A 18 27.459 26.152 15.559 1.00 0.00 C ATOM 270 CG LYS A 18 26.834 27.557 15.474 1.00 0.00 C ATOM 271 CD LYS A 18 27.428 28.403 14.339 1.00 0.00 C ATOM 272 CE LYS A 18 26.686 29.722 14.121 1.00 0.00 C ATOM 273 NZ LYS A 18 26.759 30.633 15.282 1.00 0.00 N ATOM 0 H LYS A 18 29.309 24.457 16.883 1.00 0.00 H new ATOM 0 HA LYS A 18 29.418 26.476 14.724 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.161 25.586 14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.041 25.638 16.424 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.758 27.463 15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.982 28.074 16.422 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.474 28.614 14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.408 27.825 13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.101 30.224 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.640 29.510 13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.583 31.609 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 26.042 30.359 15.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.704 30.573 15.712 1.00 0.00 H new ATOM 287 N LEU A 19 30.463 27.944 16.380 1.00 0.00 N ATOM 288 CA LEU A 19 31.016 28.986 17.251 1.00 0.00 C ATOM 289 C LEU A 19 29.993 30.105 17.553 1.00 0.00 C ATOM 290 O LEU A 19 29.158 30.437 16.707 1.00 0.00 O ATOM 291 CB LEU A 19 32.291 29.520 16.571 1.00 0.00 C ATOM 292 CG LEU A 19 33.086 30.562 17.374 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.516 30.023 18.738 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.341 30.951 16.592 1.00 0.00 C ATOM 0 H LEU A 19 30.868 27.951 15.444 1.00 0.00 H new ATOM 0 HA LEU A 19 31.261 28.568 18.227 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.947 28.676 16.356 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.013 29.960 15.613 1.00 0.00 H new ATOM 0 HG LEU A 19 32.437 31.423 17.531 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.075 30.791 19.273 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.633 29.748 19.315 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.147 29.145 18.600 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.908 31.690 17.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.958 30.067 16.430 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.053 31.374 15.629 1.00 0.00 H new ATOM 306 N GLY A 20 30.080 30.709 18.744 1.00 0.00 N ATOM 307 CA GLY A 20 29.204 31.799 19.182 1.00 0.00 C ATOM 308 C GLY A 20 27.797 31.312 19.540 1.00 0.00 C ATOM 309 O GLY A 20 27.635 30.236 20.115 1.00 0.00 O ATOM 0 H GLY A 20 30.775 30.448 19.443 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.646 32.291 20.048 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.136 32.546 18.392 1.00 0.00 H new ATOM 313 N ASP A 21 26.784 32.113 19.204 1.00 0.00 N ATOM 314 CA ASP A 21 25.352 31.783 19.286 1.00 0.00 C ATOM 315 C ASP A 21 25.069 30.364 18.756 1.00 0.00 C ATOM 316 O ASP A 21 25.369 30.059 17.600 1.00 0.00 O ATOM 317 CB ASP A 21 24.596 32.851 18.481 1.00 0.00 C ATOM 318 CG ASP A 21 23.095 32.599 18.352 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.318 33.013 19.247 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.654 32.052 17.315 1.00 0.00 O ATOM 0 H ASP A 21 26.943 33.056 18.850 1.00 0.00 H new ATOM 0 HA ASP A 21 25.018 31.785 20.324 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.750 33.821 18.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.029 32.910 17.483 1.00 0.00 H new ATOM 325 N ASN A 22 24.538 29.485 19.608 1.00 0.00 N ATOM 326 CA ASN A 22 24.511 28.043 19.364 1.00 0.00 C ATOM 327 C ASN A 22 23.260 27.389 19.982 1.00 0.00 C ATOM 328 O ASN A 22 23.066 27.379 21.200 1.00 0.00 O ATOM 329 CB ASN A 22 25.835 27.455 19.887 1.00 0.00 C ATOM 330 CG ASN A 22 25.985 25.969 19.633 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.092 25.178 19.877 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.126 25.537 19.166 1.00 0.00 N ATOM 0 H ASN A 22 24.111 29.757 20.494 1.00 0.00 H new ATOM 0 HA ASN A 22 24.433 27.832 18.297 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.666 27.980 19.417 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.906 27.640 20.959 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.267 24.539 19.007 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.876 26.197 18.961 1.00 0.00 H new ATOM 339 N ASP A 23 22.436 26.805 19.113 1.00 0.00 N ATOM 340 CA ASP A 23 21.140 26.197 19.424 1.00 0.00 C ATOM 341 C ASP A 23 21.273 24.890 20.235 1.00 0.00 C ATOM 342 O ASP A 23 20.393 24.578 21.038 1.00 0.00 O ATOM 343 CB ASP A 23 20.430 25.983 18.075 1.00 0.00 C ATOM 344 CG ASP A 23 19.018 25.416 18.178 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.135 26.028 18.822 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.746 24.349 17.580 1.00 0.00 O ATOM 0 H ASP A 23 22.665 26.739 18.121 1.00 0.00 H new ATOM 0 HA ASP A 23 20.555 26.852 20.070 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.386 26.936 17.548 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.033 25.310 17.466 1.00 0.00 H new ATOM 351 N TYR A 24 22.384 24.160 20.093 1.00 0.00 N ATOM 352 CA TYR A 24 22.697 22.959 20.879 1.00 0.00 C ATOM 353 C TYR A 24 23.187 23.313 22.294 1.00 0.00 C ATOM 354 O TYR A 24 22.714 22.736 23.273 1.00 0.00 O ATOM 355 CB TYR A 24 23.727 22.117 20.111 1.00 0.00 C ATOM 356 CG TYR A 24 24.213 20.881 20.843 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.319 20.971 21.712 1.00 0.00 C ATOM 358 CD2 TYR A 24 23.573 19.643 20.648 1.00 0.00 C ATOM 359 CE1 TYR A 24 25.779 19.828 22.391 1.00 0.00 C ATOM 360 CE2 TYR A 24 24.041 18.495 21.316 1.00 0.00 C ATOM 361 CZ TYR A 24 25.147 18.583 22.190 1.00 0.00 C ATOM 362 OH TYR A 24 25.616 17.477 22.829 1.00 0.00 O ATOM 0 H TYR A 24 23.108 24.392 19.413 1.00 0.00 H new ATOM 0 HA TYR A 24 21.788 22.374 21.014 1.00 0.00 H new ATOM 0 HB2 TYR A 24 23.289 21.810 19.161 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.587 22.745 19.877 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.814 21.920 21.857 1.00 0.00 H new ATOM 0 HD2 TYR A 24 22.723 19.573 19.986 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.618 19.904 23.067 1.00 0.00 H new ATOM 0 HE2 TYR A 24 23.553 17.544 21.160 1.00 0.00 H new ATOM 0 HH TYR A 24 25.070 16.701 22.584 1.00 0.00 H new ATOM 372 N CYS A 25 24.078 24.303 22.429 1.00 0.00 N ATOM 373 CA CYS A 25 24.542 24.764 23.740 1.00 0.00 C ATOM 374 C CYS A 25 23.393 25.346 24.573 1.00 0.00 C ATOM 375 O CYS A 25 23.284 25.036 25.757 1.00 0.00 O ATOM 376 CB CYS A 25 25.664 25.798 23.587 1.00 0.00 C ATOM 377 SG CYS A 25 27.214 25.211 22.851 1.00 0.00 S ATOM 0 H CYS A 25 24.493 24.801 21.641 1.00 0.00 H new ATOM 0 HA CYS A 25 24.934 23.896 24.270 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.288 26.621 22.979 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.888 26.206 24.573 1.00 0.00 H new ATOM 382 N LEU A 26 22.496 26.128 23.960 1.00 0.00 N ATOM 383 CA LEU A 26 21.279 26.616 24.617 1.00 0.00 C ATOM 384 C LEU A 26 20.399 25.459 25.127 1.00 0.00 C ATOM 385 O LEU A 26 19.956 25.488 26.276 1.00 0.00 O ATOM 386 CB LEU A 26 20.532 27.523 23.620 1.00 0.00 C ATOM 387 CG LEU A 26 19.191 28.089 24.127 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.345 28.912 25.406 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.595 29.006 23.061 1.00 0.00 C ATOM 0 H LEU A 26 22.594 26.440 22.994 1.00 0.00 H new ATOM 0 HA LEU A 26 21.542 27.191 25.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.182 28.356 23.353 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.348 26.958 22.707 1.00 0.00 H new ATOM 0 HG LEU A 26 18.548 27.234 24.338 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.370 29.286 25.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.762 28.285 26.194 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.013 29.753 25.219 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.646 29.408 23.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.284 29.826 22.860 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.429 28.439 22.145 1.00 0.00 H new ATOM 401 N ARG A 27 20.203 24.423 24.300 1.00 0.00 N ATOM 402 CA ARG A 27 19.373 23.236 24.577 1.00 0.00 C ATOM 403 C ARG A 27 19.874 22.388 25.749 1.00 0.00 C ATOM 404 O ARG A 27 19.052 21.849 26.490 1.00 0.00 O ATOM 405 CB ARG A 27 19.284 22.438 23.268 1.00 0.00 C ATOM 406 CG ARG A 27 18.433 21.160 23.315 1.00 0.00 C ATOM 407 CD ARG A 27 18.259 20.587 21.898 1.00 0.00 C ATOM 408 NE ARG A 27 17.483 21.523 21.065 1.00 0.00 N ATOM 409 CZ ARG A 27 17.888 22.182 19.998 1.00 0.00 C ATOM 410 NH1 ARG A 27 18.952 21.894 19.306 1.00 0.00 N ATOM 411 NH2 ARG A 27 17.198 23.204 19.610 1.00 0.00 N ATOM 0 H ARG A 27 20.637 24.385 23.378 1.00 0.00 H new ATOM 0 HA ARG A 27 18.383 23.555 24.904 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.881 23.091 22.494 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.294 22.167 22.961 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.909 20.420 23.959 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.458 21.379 23.749 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.235 20.410 21.447 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.751 19.624 21.947 1.00 0.00 H new ATOM 0 HE ARG A 27 16.516 21.680 21.349 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.541 21.107 19.579 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.197 22.455 18.490 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.363 23.482 20.126 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.488 23.733 18.787 1.00 0.00 H new ATOM 425 N GLU A 28 21.187 22.311 25.960 1.00 0.00 N ATOM 426 CA GLU A 28 21.764 21.710 27.172 1.00 0.00 C ATOM 427 C GLU A 28 21.721 22.684 28.366 1.00 0.00 C ATOM 428 O GLU A 28 21.199 22.331 29.425 1.00 0.00 O ATOM 429 CB GLU A 28 23.199 21.215 26.909 1.00 0.00 C ATOM 430 CG GLU A 28 23.306 20.082 25.870 1.00 0.00 C ATOM 431 CD GLU A 28 22.577 18.788 26.269 1.00 0.00 C ATOM 432 OE1 GLU A 28 22.663 18.358 27.445 1.00 0.00 O ATOM 433 OE2 GLU A 28 21.923 18.171 25.392 1.00 0.00 O ATOM 0 H GLU A 28 21.883 22.661 25.301 1.00 0.00 H new ATOM 0 HA GLU A 28 21.151 20.848 27.436 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.804 22.057 26.573 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.628 20.870 27.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.902 20.435 24.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.359 19.856 25.703 1.00 0.00 H new ATOM 440 N CYS A 29 22.204 23.925 28.220 1.00 0.00 N ATOM 441 CA CYS A 29 22.286 24.885 29.329 1.00 0.00 C ATOM 442 C CYS A 29 20.932 25.120 30.024 1.00 0.00 C ATOM 443 O CYS A 29 20.878 25.115 31.256 1.00 0.00 O ATOM 444 CB CYS A 29 22.862 26.214 28.822 1.00 0.00 C ATOM 445 SG CYS A 29 24.633 26.210 28.425 1.00 0.00 S ATOM 0 H CYS A 29 22.548 24.291 27.332 1.00 0.00 H new ATOM 0 HA CYS A 29 22.948 24.453 30.079 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.310 26.510 27.930 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.680 26.978 29.578 1.00 0.00 H new ATOM 450 N LYS A 30 19.833 25.223 29.255 1.00 0.00 N ATOM 451 CA LYS A 30 18.463 25.433 29.767 1.00 0.00 C ATOM 452 C LYS A 30 17.841 24.232 30.503 1.00 0.00 C ATOM 453 O LYS A 30 16.649 24.261 30.818 1.00 0.00 O ATOM 454 CB LYS A 30 17.556 25.974 28.643 1.00 0.00 C ATOM 455 CG LYS A 30 17.028 24.891 27.680 1.00 0.00 C ATOM 456 CD LYS A 30 16.125 25.515 26.610 1.00 0.00 C ATOM 457 CE LYS A 30 15.356 24.424 25.861 1.00 0.00 C ATOM 458 NZ LYS A 30 14.345 25.013 24.958 1.00 0.00 N ATOM 0 H LYS A 30 19.872 25.161 28.238 1.00 0.00 H new ATOM 0 HA LYS A 30 18.548 26.184 30.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.707 26.489 29.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.111 26.716 28.069 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.865 24.380 27.204 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.472 24.139 28.240 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.425 26.209 27.075 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.727 26.092 25.908 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.052 23.814 25.285 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.868 23.762 26.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.837 24.253 24.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.669 25.575 25.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.816 25.626 24.262 1.00 0.00 H new ATOM 472 N GLN A 31 18.607 23.161 30.736 1.00 0.00 N ATOM 473 CA GLN A 31 18.179 22.010 31.541 1.00 0.00 C ATOM 474 C GLN A 31 19.276 21.385 32.420 1.00 0.00 C ATOM 475 O GLN A 31 18.931 20.810 33.451 1.00 0.00 O ATOM 476 CB GLN A 31 17.505 20.960 30.643 1.00 0.00 C ATOM 477 CG GLN A 31 18.441 20.279 29.634 1.00 0.00 C ATOM 478 CD GLN A 31 17.656 19.320 28.751 1.00 0.00 C ATOM 479 OE1 GLN A 31 17.159 18.295 29.204 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.490 19.617 27.484 1.00 0.00 N ATOM 0 H GLN A 31 19.553 23.067 30.367 1.00 0.00 H new ATOM 0 HA GLN A 31 17.456 22.400 32.257 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.058 20.194 31.276 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.691 21.438 30.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.933 21.032 29.018 1.00 0.00 H new ATOM 0 HG3 GLN A 31 19.226 19.738 30.163 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.901 20.469 27.102 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.950 18.996 26.881 1.00 0.00 H new ATOM 489 N GLN A 32 20.573 21.516 32.101 1.00 0.00 N ATOM 490 CA GLN A 32 21.641 20.965 32.954 1.00 0.00 C ATOM 491 C GLN A 32 21.992 21.847 34.163 1.00 0.00 C ATOM 492 O GLN A 32 22.445 21.317 35.182 1.00 0.00 O ATOM 493 CB GLN A 32 22.914 20.627 32.149 1.00 0.00 C ATOM 494 CG GLN A 32 22.746 19.719 30.914 1.00 0.00 C ATOM 495 CD GLN A 32 21.916 18.455 31.105 1.00 0.00 C ATOM 496 OE1 GLN A 32 21.582 18.017 32.198 1.00 0.00 O ATOM 497 NE2 GLN A 32 21.529 17.822 30.027 1.00 0.00 N ATOM 0 H GLN A 32 20.907 21.995 31.265 1.00 0.00 H new ATOM 0 HA GLN A 32 21.224 20.040 33.352 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.365 21.564 31.821 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.624 20.151 32.825 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.292 20.308 30.117 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.738 19.427 30.568 1.00 0.00 H new ATOM 0 HE21 GLN A 32 21.797 18.171 29.107 1.00 0.00 H new ATOM 0 HE22 GLN A 32 20.959 16.980 30.107 1.00 0.00 H new ATOM 506 N TYR A 33 21.756 23.165 34.095 1.00 0.00 N ATOM 507 CA TYR A 33 22.027 24.092 35.208 1.00 0.00 C ATOM 508 C TYR A 33 20.807 24.874 35.712 1.00 0.00 C ATOM 509 O TYR A 33 20.786 25.243 36.886 1.00 0.00 O ATOM 510 CB TYR A 33 23.183 25.031 34.841 1.00 0.00 C ATOM 511 CG TYR A 33 24.549 24.388 34.630 1.00 0.00 C ATOM 512 CD1 TYR A 33 24.986 23.294 35.410 1.00 0.00 C ATOM 513 CD2 TYR A 33 25.429 24.955 33.688 1.00 0.00 C ATOM 514 CE1 TYR A 33 26.277 22.764 35.234 1.00 0.00 C ATOM 515 CE2 TYR A 33 26.737 24.457 33.535 1.00 0.00 C ATOM 516 CZ TYR A 33 27.162 23.358 34.312 1.00 0.00 C ATOM 517 OH TYR A 33 28.440 22.912 34.231 1.00 0.00 O ATOM 0 H TYR A 33 21.372 23.621 33.267 1.00 0.00 H new ATOM 0 HA TYR A 33 22.313 23.466 36.053 1.00 0.00 H new ATOM 0 HB2 TYR A 33 22.913 25.562 33.928 1.00 0.00 H new ATOM 0 HB3 TYR A 33 23.277 25.778 35.629 1.00 0.00 H new ATOM 0 HD1 TYR A 33 24.324 22.862 36.146 1.00 0.00 H new ATOM 0 HD2 TYR A 33 25.097 25.781 33.076 1.00 0.00 H new ATOM 0 HE1 TYR A 33 26.590 21.902 35.805 1.00 0.00 H new ATOM 0 HE2 TYR A 33 27.412 24.914 32.826 1.00 0.00 H new ATOM 0 HH TYR A 33 29.033 23.658 34.002 1.00 0.00 H new ATOM 527 N GLY A 34 19.786 25.108 34.885 1.00 0.00 N ATOM 528 CA GLY A 34 18.500 25.665 35.320 1.00 0.00 C ATOM 529 C GLY A 34 17.615 26.089 34.150 1.00 0.00 C ATOM 530 O GLY A 34 18.117 26.345 33.053 1.00 0.00 O ATOM 0 H GLY A 34 19.827 24.915 33.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.972 24.924 35.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.681 26.526 35.964 1.00 0.00 H new ATOM 534 N LYS A 35 16.295 26.174 34.362 1.00 0.00 N ATOM 535 CA LYS A 35 15.331 26.375 33.262 1.00 0.00 C ATOM 536 C LYS A 35 15.475 27.724 32.545 1.00 0.00 C ATOM 537 O LYS A 35 15.194 27.807 31.351 1.00 0.00 O ATOM 538 CB LYS A 35 13.884 26.130 33.730 1.00 0.00 C ATOM 539 CG LYS A 35 13.339 27.225 34.662 1.00 0.00 C ATOM 540 CD LYS A 35 11.813 27.181 34.786 1.00 0.00 C ATOM 541 CE LYS A 35 11.285 28.453 35.461 1.00 0.00 C ATOM 542 NZ LYS A 35 11.649 28.509 36.891 1.00 0.00 N ATOM 0 H LYS A 35 15.866 26.107 35.285 1.00 0.00 H new ATOM 0 HA LYS A 35 15.579 25.623 32.513 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.237 26.055 32.856 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.836 25.171 34.245 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.784 27.112 35.650 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.642 28.202 34.286 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.366 27.076 33.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.516 26.306 35.365 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.686 29.328 34.950 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.200 28.494 35.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.274 29.383 37.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.245 27.687 37.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.685 28.496 36.986 1.00 0.00 H new ATOM 556 N SER A 36 15.915 28.768 33.251 1.00 0.00 N ATOM 557 CA SER A 36 15.955 30.153 32.758 1.00 0.00 C ATOM 558 C SER A 36 17.350 30.577 32.274 1.00 0.00 C ATOM 559 O SER A 36 17.582 31.755 31.993 1.00 0.00 O ATOM 560 CB SER A 36 15.383 31.097 33.824 1.00 0.00 C ATOM 561 OG SER A 36 14.041 30.725 34.104 1.00 0.00 O ATOM 0 H SER A 36 16.263 28.675 34.205 1.00 0.00 H new ATOM 0 HA SER A 36 15.325 30.216 31.871 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.984 31.047 34.732 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.422 32.128 33.473 1.00 0.00 H new ATOM 0 HG SER A 36 13.671 31.324 34.786 1.00 0.00 H new ATOM 567 N SER A 37 18.278 29.622 32.154 1.00 0.00 N ATOM 568 CA SER A 37 19.597 29.820 31.549 1.00 0.00 C ATOM 569 C SER A 37 19.529 30.056 30.036 1.00 0.00 C ATOM 570 O SER A 37 18.680 29.505 29.331 1.00 0.00 O ATOM 571 CB SER A 37 20.504 28.623 31.860 1.00 0.00 C ATOM 572 OG SER A 37 20.972 28.718 33.193 1.00 0.00 O ATOM 0 H SER A 37 18.128 28.668 32.483 1.00 0.00 H new ATOM 0 HA SER A 37 20.017 30.724 31.990 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.955 27.692 31.722 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.346 28.602 31.168 1.00 0.00 H new ATOM 0 HG SER A 37 21.413 29.583 33.324 1.00 0.00 H new ATOM 578 N GLY A 38 20.476 30.851 29.535 1.00 0.00 N ATOM 579 CA GLY A 38 20.911 30.838 28.140 1.00 0.00 C ATOM 580 C GLY A 38 22.178 29.990 27.973 1.00 0.00 C ATOM 581 O GLY A 38 22.764 29.528 28.956 1.00 0.00 O ATOM 0 H GLY A 38 20.973 31.538 30.103 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.116 30.440 27.510 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.103 31.857 27.805 1.00 0.00 H new ATOM 585 N GLY A 39 22.623 29.791 26.730 1.00 0.00 N ATOM 586 CA GLY A 39 23.853 29.053 26.433 1.00 0.00 C ATOM 587 C GLY A 39 24.385 29.294 25.023 1.00 0.00 C ATOM 588 O GLY A 39 23.602 29.484 24.095 1.00 0.00 O ATOM 0 H GLY A 39 22.140 30.137 25.901 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.619 29.335 27.155 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.668 27.987 26.565 1.00 0.00 H new ATOM 592 N TYR A 40 25.711 29.300 24.859 1.00 0.00 N ATOM 593 CA TYR A 40 26.407 29.511 23.580 1.00 0.00 C ATOM 594 C TYR A 40 27.788 28.828 23.562 1.00 0.00 C ATOM 595 O TYR A 40 28.274 28.402 24.607 1.00 0.00 O ATOM 596 CB TYR A 40 26.485 31.018 23.277 1.00 0.00 C ATOM 597 CG TYR A 40 27.368 31.896 24.151 1.00 0.00 C ATOM 598 CD1 TYR A 40 26.871 32.426 25.361 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.632 32.302 23.680 1.00 0.00 C ATOM 600 CE1 TYR A 40 27.632 33.359 26.096 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.390 33.242 24.407 1.00 0.00 C ATOM 602 CZ TYR A 40 28.895 33.772 25.617 1.00 0.00 C ATOM 603 OH TYR A 40 29.627 34.701 26.287 1.00 0.00 O ATOM 0 H TYR A 40 26.354 29.153 25.637 1.00 0.00 H new ATOM 0 HA TYR A 40 25.835 29.037 22.782 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.824 31.131 22.247 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.472 31.417 23.325 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.903 32.116 25.726 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.021 31.892 22.760 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.249 33.757 27.024 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.354 33.558 24.036 1.00 0.00 H new ATOM 0 HH TYR A 40 30.468 34.860 25.811 1.00 0.00 H new ATOM 613 N CYS A 41 28.425 28.688 22.395 1.00 0.00 N ATOM 614 CA CYS A 41 29.782 28.137 22.300 1.00 0.00 C ATOM 615 C CYS A 41 30.820 29.268 22.433 1.00 0.00 C ATOM 616 O CYS A 41 30.904 30.138 21.565 1.00 0.00 O ATOM 617 CB CYS A 41 29.936 27.326 21.008 1.00 0.00 C ATOM 618 SG CYS A 41 31.524 26.459 20.937 1.00 0.00 S ATOM 0 H CYS A 41 28.020 28.951 21.497 1.00 0.00 H new ATOM 0 HA CYS A 41 29.961 27.446 23.124 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.124 26.602 20.935 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.848 27.992 20.149 1.00 0.00 H new ATOM 623 N TYR A 42 31.587 29.282 23.529 1.00 0.00 N ATOM 624 CA TYR A 42 32.391 30.448 23.935 1.00 0.00 C ATOM 625 C TYR A 42 33.626 30.667 23.045 1.00 0.00 C ATOM 626 O TYR A 42 33.838 31.770 22.532 1.00 0.00 O ATOM 627 CB TYR A 42 32.772 30.292 25.415 1.00 0.00 C ATOM 628 CG TYR A 42 33.435 31.499 26.055 1.00 0.00 C ATOM 629 CD1 TYR A 42 32.638 32.520 26.607 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.839 31.591 26.134 1.00 0.00 C ATOM 631 CE1 TYR A 42 33.237 33.632 27.228 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.441 32.700 26.761 1.00 0.00 C ATOM 633 CZ TYR A 42 34.644 33.729 27.306 1.00 0.00 C ATOM 634 OH TYR A 42 35.230 34.784 27.932 1.00 0.00 O ATOM 0 H TYR A 42 31.670 28.487 24.162 1.00 0.00 H new ATOM 0 HA TYR A 42 31.787 31.346 23.804 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.871 30.053 25.980 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.443 29.439 25.510 1.00 0.00 H new ATOM 0 HD1 TYR A 42 31.562 32.450 26.554 1.00 0.00 H new ATOM 0 HD2 TYR A 42 35.455 30.810 25.713 1.00 0.00 H new ATOM 0 HE1 TYR A 42 32.619 34.413 27.646 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.517 32.763 26.825 1.00 0.00 H new ATOM 0 HH TYR A 42 36.204 34.688 27.892 1.00 0.00 H new ATOM 644 N ALA A 43 34.414 29.609 22.841 1.00 0.00 N ATOM 645 CA ALA A 43 35.591 29.572 21.970 1.00 0.00 C ATOM 646 C ALA A 43 35.665 28.264 21.155 1.00 0.00 C ATOM 647 O ALA A 43 35.920 28.299 19.949 1.00 0.00 O ATOM 648 CB ALA A 43 36.837 29.754 22.844 1.00 0.00 C ATOM 0 H ALA A 43 34.241 28.714 23.299 1.00 0.00 H new ATOM 0 HA ALA A 43 35.525 30.379 21.240 1.00 0.00 H new ATOM 0 HB1 ALA A 43 37.728 29.730 22.217 1.00 0.00 H new ATOM 0 HB2 ALA A 43 36.782 30.712 23.360 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.888 28.949 23.577 1.00 0.00 H new ATOM 654 N PHE A 44 35.391 27.125 21.799 1.00 0.00 N ATOM 655 CA PHE A 44 35.105 25.836 21.153 1.00 0.00 C ATOM 656 C PHE A 44 34.235 24.875 21.995 1.00 0.00 C ATOM 657 O PHE A 44 33.975 23.770 21.532 1.00 0.00 O ATOM 658 CB PHE A 44 36.410 25.162 20.682 1.00 0.00 C ATOM 659 CG PHE A 44 37.425 24.820 21.755 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.264 23.669 22.551 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.571 25.623 21.918 1.00 0.00 C ATOM 662 CE1 PHE A 44 38.245 23.321 23.497 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.551 25.274 22.863 1.00 0.00 C ATOM 664 CZ PHE A 44 39.391 24.120 23.649 1.00 0.00 C ATOM 0 H PHE A 44 35.361 27.071 22.817 1.00 0.00 H new ATOM 0 HA PHE A 44 34.492 26.069 20.282 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.148 24.244 20.156 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.890 25.819 19.957 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.385 23.052 22.435 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.697 26.510 21.315 1.00 0.00 H new ATOM 0 HE1 PHE A 44 38.117 22.439 24.107 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.428 25.893 22.985 1.00 0.00 H new ATOM 0 HZ PHE A 44 40.148 23.847 24.369 1.00 0.00 H new ATOM 674 N ALA A 45 33.757 25.252 23.187 1.00 0.00 N ATOM 675 CA ALA A 45 32.882 24.433 24.038 1.00 0.00 C ATOM 676 C ALA A 45 31.691 25.231 24.616 1.00 0.00 C ATOM 677 O ALA A 45 31.722 26.467 24.673 1.00 0.00 O ATOM 678 CB ALA A 45 33.739 23.799 25.143 1.00 0.00 C ATOM 0 H ALA A 45 33.973 26.160 23.598 1.00 0.00 H new ATOM 0 HA ALA A 45 32.429 23.651 23.429 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.108 23.186 25.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.511 23.176 24.692 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.207 24.585 25.736 1.00 0.00 H new ATOM 684 N CYS A 46 30.634 24.531 25.045 1.00 0.00 N ATOM 685 CA CYS A 46 29.397 25.146 25.532 1.00 0.00 C ATOM 686 C CYS A 46 29.511 25.819 26.920 1.00 0.00 C ATOM 687 O CYS A 46 29.923 25.210 27.911 1.00 0.00 O ATOM 688 CB CYS A 46 28.278 24.100 25.523 1.00 0.00 C ATOM 689 SG CYS A 46 27.709 23.527 23.895 1.00 0.00 S ATOM 0 H CYS A 46 30.615 23.511 25.063 1.00 0.00 H new ATOM 0 HA CYS A 46 29.167 25.963 24.848 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.618 23.233 26.089 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.422 24.513 26.057 1.00 0.00 H new ATOM 694 N TRP A 47 29.052 27.070 26.985 1.00 0.00 N ATOM 695 CA TRP A 47 29.070 27.994 28.125 1.00 0.00 C ATOM 696 C TRP A 47 27.652 28.516 28.405 1.00 0.00 C ATOM 697 O TRP A 47 26.895 28.780 27.469 1.00 0.00 O ATOM 698 CB TRP A 47 30.029 29.133 27.755 1.00 0.00 C ATOM 699 CG TRP A 47 30.124 30.324 28.660 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.388 31.454 28.551 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.056 30.569 29.756 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.816 32.388 29.477 1.00 0.00 N ATOM 703 CE2 TRP A 47 30.846 31.892 30.247 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.073 29.812 30.371 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.613 32.431 31.289 1.00 0.00 C ATOM 706 CZ3 TRP A 47 32.823 30.329 31.444 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.598 31.638 31.903 1.00 0.00 C ATOM 0 H TRP A 47 28.619 27.503 26.169 1.00 0.00 H new ATOM 0 HA TRP A 47 29.408 27.501 29.036 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.028 28.706 27.666 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.747 29.493 26.766 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.585 31.605 27.845 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.421 33.323 29.577 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.281 28.815 30.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.449 33.447 31.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 33.576 29.716 31.917 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.179 32.033 32.723 1.00 0.00 H new ATOM 718 N CYS A 48 27.288 28.657 29.680 1.00 0.00 N ATOM 719 CA CYS A 48 25.923 28.914 30.148 1.00 0.00 C ATOM 720 C CYS A 48 25.809 30.204 30.980 1.00 0.00 C ATOM 721 O CYS A 48 26.764 30.622 31.637 1.00 0.00 O ATOM 722 CB CYS A 48 25.443 27.711 30.974 1.00 0.00 C ATOM 723 SG CYS A 48 25.576 26.060 30.221 1.00 0.00 S ATOM 0 H CYS A 48 27.960 28.593 30.445 1.00 0.00 H new ATOM 0 HA CYS A 48 25.293 29.053 29.270 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.005 27.700 31.908 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.398 27.878 31.233 1.00 0.00 H new ATOM 728 N THR A 49 24.616 30.806 31.001 1.00 0.00 N ATOM 729 CA THR A 49 24.292 32.050 31.737 1.00 0.00 C ATOM 730 C THR A 49 23.212 31.833 32.808 1.00 0.00 C ATOM 731 O THR A 49 22.588 30.772 32.873 1.00 0.00 O ATOM 732 CB THR A 49 23.856 33.157 30.758 1.00 0.00 C ATOM 733 OG1 THR A 49 22.720 32.739 30.035 1.00 0.00 O ATOM 734 CG2 THR A 49 24.945 33.498 29.740 1.00 0.00 C ATOM 0 H THR A 49 23.815 30.434 30.490 1.00 0.00 H new ATOM 0 HA THR A 49 25.201 32.361 32.252 1.00 0.00 H new ATOM 0 HB THR A 49 23.645 34.039 31.363 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.447 33.448 29.416 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.587 34.283 29.074 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.837 33.844 30.263 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.188 32.610 29.156 1.00 0.00 H new ATOM 742 N HIS A 50 22.966 32.840 33.654 1.00 0.00 N ATOM 743 CA HIS A 50 21.915 32.875 34.689 1.00 0.00 C ATOM 744 C HIS A 50 21.975 31.729 35.717 1.00 0.00 C ATOM 745 O HIS A 50 20.949 31.149 36.089 1.00 0.00 O ATOM 746 CB HIS A 50 20.522 33.066 34.064 1.00 0.00 C ATOM 747 CG HIS A 50 20.408 34.265 33.159 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.378 35.601 33.573 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.303 34.223 31.802 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.293 36.333 32.446 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.236 35.528 31.373 1.00 0.00 N ATOM 0 H HIS A 50 23.519 33.697 33.638 1.00 0.00 H new ATOM 0 HA HIS A 50 22.126 33.757 35.293 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.265 32.171 33.497 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.787 33.158 34.864 1.00 0.00 H new ATOM 0 HD2 HIS A 50 20.277 33.338 31.184 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.273 37.412 32.410 1.00 0.00 H new ATOM 0 HE2 HIS A 50 20.156 35.833 30.403 1.00 0.00 H new ATOM 759 N LEU A 51 23.185 31.367 36.154 1.00 0.00 N ATOM 760 CA LEU A 51 23.437 30.304 37.135 1.00 0.00 C ATOM 761 C LEU A 51 23.060 30.735 38.564 1.00 0.00 C ATOM 762 O LEU A 51 23.417 31.834 38.992 1.00 0.00 O ATOM 763 CB LEU A 51 24.925 29.907 37.091 1.00 0.00 C ATOM 764 CG LEU A 51 25.469 29.462 35.721 1.00 0.00 C ATOM 765 CD1 LEU A 51 26.971 29.216 35.849 1.00 0.00 C ATOM 766 CD2 LEU A 51 24.810 28.178 35.228 1.00 0.00 C ATOM 0 H LEU A 51 24.040 31.817 35.827 1.00 0.00 H new ATOM 0 HA LEU A 51 22.810 29.452 36.871 1.00 0.00 H new ATOM 0 HB2 LEU A 51 25.516 30.755 37.435 1.00 0.00 H new ATOM 0 HB3 LEU A 51 25.085 29.097 37.803 1.00 0.00 H new ATOM 0 HG LEU A 51 25.250 30.251 35.002 1.00 0.00 H new ATOM 0 HD11 LEU A 51 27.371 28.900 34.886 1.00 0.00 H new ATOM 0 HD12 LEU A 51 27.465 30.136 36.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.150 28.437 36.590 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.226 27.904 34.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.996 27.376 35.942 1.00 0.00 H new ATOM 0 HD23 LEU A 51 23.736 28.335 35.130 1.00 0.00 H new ATOM 778 N TYR A 52 22.408 29.856 39.327 1.00 0.00 N ATOM 779 CA TYR A 52 22.124 30.042 40.757 1.00 0.00 C ATOM 780 C TYR A 52 22.982 29.112 41.642 1.00 0.00 C ATOM 781 O TYR A 52 23.652 28.196 41.161 1.00 0.00 O ATOM 782 CB TYR A 52 20.608 29.914 40.997 1.00 0.00 C ATOM 783 CG TYR A 52 20.214 30.114 42.447 1.00 0.00 C ATOM 784 CD1 TYR A 52 20.377 31.376 43.053 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.822 29.007 43.225 1.00 0.00 C ATOM 786 CE1 TYR A 52 20.180 31.525 44.440 1.00 0.00 C ATOM 787 CE2 TYR A 52 19.626 29.155 44.609 1.00 0.00 C ATOM 788 CZ TYR A 52 19.820 30.409 45.224 1.00 0.00 C ATOM 789 OH TYR A 52 19.659 30.543 46.569 1.00 0.00 O ATOM 0 H TYR A 52 22.053 28.972 38.962 1.00 0.00 H new ATOM 0 HA TYR A 52 22.416 31.048 41.059 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.086 30.646 40.381 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.277 28.928 40.670 1.00 0.00 H new ATOM 0 HD1 TYR A 52 20.653 32.230 42.453 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.672 28.045 42.758 1.00 0.00 H new ATOM 0 HE1 TYR A 52 20.305 32.493 44.903 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.326 28.305 45.204 1.00 0.00 H new ATOM 0 HH TYR A 52 19.410 29.678 46.956 1.00 0.00 H new ATOM 799 N GLU A 53 23.001 29.345 42.956 1.00 0.00 N ATOM 800 CA GLU A 53 23.891 28.717 43.952 1.00 0.00 C ATOM 801 C GLU A 53 23.541 27.252 44.319 1.00 0.00 C ATOM 802 O GLU A 53 23.972 26.750 45.360 1.00 0.00 O ATOM 803 CB GLU A 53 23.987 29.635 45.191 1.00 0.00 C ATOM 804 CG GLU A 53 24.454 31.068 44.878 1.00 0.00 C ATOM 805 CD GLU A 53 25.850 31.117 44.244 1.00 0.00 C ATOM 806 OE1 GLU A 53 26.866 31.141 44.980 1.00 0.00 O ATOM 807 OE2 GLU A 53 25.961 31.156 42.993 1.00 0.00 O ATOM 0 H GLU A 53 22.362 30.014 43.384 1.00 0.00 H new ATOM 0 HA GLU A 53 24.872 28.621 43.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.010 29.680 45.673 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.676 29.188 45.908 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.738 31.539 44.204 1.00 0.00 H new ATOM 0 HG3 GLU A 53 24.458 31.652 45.798 1.00 0.00 H new ATOM 814 N GLN A 54 22.789 26.557 43.456 1.00 0.00 N ATOM 815 CA GLN A 54 22.574 25.098 43.489 1.00 0.00 C ATOM 816 C GLN A 54 23.164 24.358 42.269 1.00 0.00 C ATOM 817 O GLN A 54 23.283 23.131 42.288 1.00 0.00 O ATOM 818 CB GLN A 54 21.076 24.788 43.645 1.00 0.00 C ATOM 819 CG GLN A 54 20.550 25.209 45.024 1.00 0.00 C ATOM 820 CD GLN A 54 19.248 24.508 45.388 1.00 0.00 C ATOM 821 OE1 GLN A 54 18.157 25.068 45.353 1.00 0.00 O ATOM 822 NE2 GLN A 54 19.324 23.256 45.770 1.00 0.00 N ATOM 0 H GLN A 54 22.294 27.008 42.687 1.00 0.00 H new ATOM 0 HA GLN A 54 23.118 24.722 44.356 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.514 25.306 42.868 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.908 23.721 43.502 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.303 24.987 45.780 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.394 26.288 45.037 1.00 0.00 H new ATOM 0 HE21 GLN A 54 20.229 22.786 45.801 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.478 22.752 46.036 1.00 0.00 H new ATOM 831 N ALA A 55 23.574 25.079 41.219 1.00 0.00 N ATOM 832 CA ALA A 55 24.367 24.515 40.127 1.00 0.00 C ATOM 833 C ALA A 55 25.851 24.438 40.528 1.00 0.00 C ATOM 834 O ALA A 55 26.361 25.332 41.214 1.00 0.00 O ATOM 835 CB ALA A 55 24.151 25.358 38.863 1.00 0.00 C ATOM 0 H ALA A 55 23.364 26.071 41.105 1.00 0.00 H new ATOM 0 HA ALA A 55 24.043 23.496 39.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.739 24.944 38.044 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.095 25.346 38.594 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.465 26.384 39.052 1.00 0.00 H new ATOM 841 N VAL A 56 26.562 23.405 40.069 1.00 0.00 N ATOM 842 CA VAL A 56 28.011 23.234 40.262 1.00 0.00 C ATOM 843 C VAL A 56 28.653 23.026 38.892 1.00 0.00 C ATOM 844 O VAL A 56 28.374 22.028 38.224 1.00 0.00 O ATOM 845 CB VAL A 56 28.321 22.073 41.229 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.831 21.923 41.447 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.674 22.290 42.604 1.00 0.00 C ATOM 0 H VAL A 56 26.139 22.643 39.539 1.00 0.00 H new ATOM 0 HA VAL A 56 28.431 24.127 40.726 1.00 0.00 H new ATOM 0 HB VAL A 56 27.912 21.175 40.766 1.00 0.00 H new ATOM 0 HG11 VAL A 56 30.019 21.097 42.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 30.318 21.721 40.493 1.00 0.00 H new ATOM 0 HG13 VAL A 56 30.231 22.844 41.870 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.916 21.451 43.256 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.054 23.212 43.043 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.592 22.361 42.490 1.00 0.00 H new ATOM 857 N VAL A 57 29.467 23.993 38.459 1.00 0.00 N ATOM 858 CA VAL A 57 29.945 24.130 37.069 1.00 0.00 C ATOM 859 C VAL A 57 31.456 23.921 36.939 1.00 0.00 C ATOM 860 O VAL A 57 32.175 23.930 37.943 1.00 0.00 O ATOM 861 CB VAL A 57 29.481 25.460 36.431 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.984 25.706 36.655 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.256 26.697 36.903 1.00 0.00 C ATOM 0 H VAL A 57 29.824 24.723 39.076 1.00 0.00 H new ATOM 0 HA VAL A 57 29.481 23.324 36.501 1.00 0.00 H new ATOM 0 HB VAL A 57 29.691 25.329 35.369 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.697 26.650 36.192 1.00 0.00 H new ATOM 0 HG12 VAL A 57 27.411 24.894 36.208 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.778 25.749 37.725 1.00 0.00 H new ATOM 0 HG21 VAL A 57 29.864 27.584 36.405 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.143 26.807 37.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.312 26.580 36.658 1.00 0.00 H new ATOM 873 N TRP A 58 31.956 23.725 35.713 1.00 0.00 N ATOM 874 CA TRP A 58 33.360 23.365 35.467 1.00 0.00 C ATOM 875 C TRP A 58 34.316 24.548 35.733 1.00 0.00 C ATOM 876 O TRP A 58 34.217 25.566 35.038 1.00 0.00 O ATOM 877 CB TRP A 58 33.519 22.841 34.032 1.00 0.00 C ATOM 878 CG TRP A 58 34.791 22.104 33.744 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.351 21.154 34.530 1.00 0.00 C ATOM 880 CD2 TRP A 58 35.638 22.176 32.554 1.00 0.00 C ATOM 881 NE1 TRP A 58 36.483 20.654 33.924 1.00 0.00 N ATOM 882 CE2 TRP A 58 36.701 21.233 32.695 1.00 0.00 C ATOM 883 CE3 TRP A 58 35.599 22.922 31.355 1.00 0.00 C ATOM 884 CZ2 TRP A 58 37.673 21.041 31.705 1.00 0.00 C ATOM 885 CZ3 TRP A 58 36.566 22.733 30.349 1.00 0.00 C ATOM 886 CH2 TRP A 58 37.604 21.801 30.525 1.00 0.00 C ATOM 0 H TRP A 58 31.400 23.811 34.863 1.00 0.00 H new ATOM 0 HA TRP A 58 33.634 22.576 36.167 1.00 0.00 H new ATOM 0 HB2 TRP A 58 32.681 22.180 33.812 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.448 23.686 33.347 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.968 20.836 35.488 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.086 19.942 34.336 1.00 0.00 H new ATOM 0 HE3 TRP A 58 34.814 23.649 31.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 38.464 20.319 31.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 36.510 23.308 29.436 1.00 0.00 H new ATOM 0 HH2 TRP A 58 38.348 21.669 29.753 1.00 0.00 H new ATOM 897 N PRO A 59 35.248 24.463 36.704 1.00 0.00 N ATOM 898 CA PRO A 59 36.089 25.589 37.099 1.00 0.00 C ATOM 899 C PRO A 59 37.405 25.585 36.303 1.00 0.00 C ATOM 900 O PRO A 59 38.471 25.244 36.819 1.00 0.00 O ATOM 901 CB PRO A 59 36.252 25.417 38.609 1.00 0.00 C ATOM 902 CG PRO A 59 36.320 23.901 38.785 1.00 0.00 C ATOM 903 CD PRO A 59 35.436 23.368 37.652 1.00 0.00 C ATOM 0 HA PRO A 59 35.663 26.568 36.878 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.156 25.905 38.974 1.00 0.00 H new ATOM 0 HB3 PRO A 59 35.413 25.848 39.156 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.343 23.533 38.703 1.00 0.00 H new ATOM 0 HG3 PRO A 59 35.948 23.594 39.762 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.907 22.514 37.165 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.477 23.025 38.040 1.00 0.00 H new ATOM 911 N LEU A 60 37.329 25.944 35.016 1.00 0.00 N ATOM 912 CA LEU A 60 38.457 25.847 34.077 1.00 0.00 C ATOM 913 C LEU A 60 39.779 26.474 34.585 1.00 0.00 C ATOM 914 O LEU A 60 40.819 25.859 34.341 1.00 0.00 O ATOM 915 CB LEU A 60 38.033 26.392 32.697 1.00 0.00 C ATOM 916 CG LEU A 60 39.121 26.302 31.604 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.584 24.869 31.331 1.00 0.00 C ATOM 918 CD2 LEU A 60 38.586 26.877 30.293 1.00 0.00 C ATOM 0 H LEU A 60 36.478 26.313 34.592 1.00 0.00 H new ATOM 0 HA LEU A 60 38.699 24.788 33.984 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.153 25.844 32.360 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.736 27.435 32.809 1.00 0.00 H new ATOM 0 HG LEU A 60 39.973 26.871 31.976 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.348 24.875 30.554 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.998 24.440 32.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 38.736 24.269 31.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 39.357 26.811 29.525 1.00 0.00 H new ATOM 0 HD22 LEU A 60 37.710 26.310 29.977 1.00 0.00 H new ATOM 0 HD23 LEU A 60 38.308 27.921 30.440 1.00 0.00 H new ATOM 930 N PRO A 61 39.817 27.603 35.328 1.00 0.00 N ATOM 931 CA PRO A 61 41.078 28.163 35.828 1.00 0.00 C ATOM 932 C PRO A 61 41.883 27.267 36.792 1.00 0.00 C ATOM 933 O PRO A 61 43.061 27.550 37.004 1.00 0.00 O ATOM 934 CB PRO A 61 40.717 29.515 36.455 1.00 0.00 C ATOM 935 CG PRO A 61 39.444 29.914 35.713 1.00 0.00 C ATOM 936 CD PRO A 61 38.746 28.568 35.537 1.00 0.00 C ATOM 0 HA PRO A 61 41.770 28.260 34.991 1.00 0.00 H new ATOM 0 HB2 PRO A 61 40.547 29.429 37.528 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.511 30.249 36.316 1.00 0.00 H new ATOM 0 HG2 PRO A 61 38.839 30.615 36.288 1.00 0.00 H new ATOM 0 HG3 PRO A 61 39.661 30.390 34.757 1.00 0.00 H new ATOM 0 HD2 PRO A 61 38.154 28.314 36.416 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.063 28.587 34.688 1.00 0.00 H new ATOM 944 N ASN A 62 41.324 26.171 37.331 1.00 0.00 N ATOM 945 CA ASN A 62 42.093 25.143 38.059 1.00 0.00 C ATOM 946 C ASN A 62 42.033 23.724 37.449 1.00 0.00 C ATOM 947 O ASN A 62 42.582 22.794 38.045 1.00 0.00 O ATOM 948 CB ASN A 62 41.772 25.189 39.567 1.00 0.00 C ATOM 949 CG ASN A 62 40.418 24.623 39.955 1.00 0.00 C ATOM 950 OD1 ASN A 62 40.234 23.425 40.135 1.00 0.00 O ATOM 951 ND2 ASN A 62 39.429 25.460 40.135 1.00 0.00 N ATOM 0 H ASN A 62 40.325 25.971 37.275 1.00 0.00 H new ATOM 0 HA ASN A 62 43.144 25.405 37.936 1.00 0.00 H new ATOM 0 HB2 ASN A 62 42.545 24.640 40.104 1.00 0.00 H new ATOM 0 HB3 ASN A 62 41.825 26.225 39.902 1.00 0.00 H new ATOM 0 HD21 ASN A 62 38.514 25.114 40.423 1.00 0.00 H new ATOM 0 HD22 ASN A 62 39.573 26.459 39.988 1.00 0.00 H new ATOM 958 N LYS A 63 41.421 23.553 36.265 1.00 0.00 N ATOM 959 CA LYS A 63 41.219 22.255 35.585 1.00 0.00 C ATOM 960 C LYS A 63 41.914 22.162 34.217 1.00 0.00 C ATOM 961 O LYS A 63 42.415 23.151 33.675 1.00 0.00 O ATOM 962 CB LYS A 63 39.709 21.957 35.456 1.00 0.00 C ATOM 963 CG LYS A 63 38.948 21.823 36.785 1.00 0.00 C ATOM 964 CD LYS A 63 39.453 20.687 37.684 1.00 0.00 C ATOM 965 CE LYS A 63 38.483 20.474 38.852 1.00 0.00 C ATOM 966 NZ LYS A 63 38.963 19.431 39.785 1.00 0.00 N ATOM 0 H LYS A 63 41.040 24.337 35.735 1.00 0.00 H new ATOM 0 HA LYS A 63 41.692 21.497 36.209 1.00 0.00 H new ATOM 0 HB2 LYS A 63 39.247 22.753 34.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 39.585 21.033 34.891 1.00 0.00 H new ATOM 0 HG2 LYS A 63 39.022 22.764 37.330 1.00 0.00 H new ATOM 0 HG3 LYS A 63 37.891 21.661 36.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 39.546 19.768 37.105 1.00 0.00 H new ATOM 0 HD3 LYS A 63 40.446 20.927 38.064 1.00 0.00 H new ATOM 0 HE2 LYS A 63 38.353 21.412 39.392 1.00 0.00 H new ATOM 0 HE3 LYS A 63 37.504 20.192 38.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 38.279 19.317 40.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 39.063 18.529 39.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 39.885 19.712 40.175 1.00 0.00 H new ATOM 980 N THR A 64 41.936 20.954 33.654 1.00 0.00 N ATOM 981 CA THR A 64 42.307 20.653 32.259 1.00 0.00 C ATOM 982 C THR A 64 41.303 19.673 31.647 1.00 0.00 C ATOM 983 O THR A 64 40.740 18.836 32.355 1.00 0.00 O ATOM 984 CB THR A 64 43.744 20.108 32.141 1.00 0.00 C ATOM 985 OG1 THR A 64 44.000 19.760 30.800 1.00 0.00 O ATOM 986 CG2 THR A 64 44.028 18.842 32.951 1.00 0.00 C ATOM 0 H THR A 64 41.685 20.115 34.177 1.00 0.00 H new ATOM 0 HA THR A 64 42.278 21.589 31.702 1.00 0.00 H new ATOM 0 HB THR A 64 44.373 20.911 32.526 1.00 0.00 H new ATOM 0 HG1 THR A 64 44.914 19.415 30.720 1.00 0.00 H new ATOM 0 HG21 THR A 64 45.064 18.539 32.801 1.00 0.00 H new ATOM 0 HG22 THR A 64 43.858 19.041 34.009 1.00 0.00 H new ATOM 0 HG23 THR A 64 43.365 18.042 32.621 1.00 0.00 H new ATOM 994 N CYS A 65 41.089 19.733 30.332 1.00 0.00 N ATOM 995 CA CYS A 65 40.317 18.728 29.599 1.00 0.00 C ATOM 996 C CYS A 65 41.072 17.393 29.404 1.00 0.00 C ATOM 997 O CYS A 65 40.498 16.435 28.881 1.00 0.00 O ATOM 998 CB CYS A 65 39.836 19.324 28.270 1.00 0.00 C ATOM 999 SG CYS A 65 38.424 18.460 27.529 1.00 0.00 S ATOM 0 H CYS A 65 41.448 20.484 29.742 1.00 0.00 H new ATOM 0 HA CYS A 65 39.450 18.467 30.206 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.564 20.367 28.431 1.00 0.00 H new ATOM 0 HB3 CYS A 65 40.664 19.316 27.561 1.00 0.00 H new ATOM 1004 N ASN A 66 42.339 17.296 29.832 1.00 0.00 N ATOM 1005 CA ASN A 66 43.102 16.048 29.811 1.00 0.00 C ATOM 1006 C ASN A 66 42.571 15.032 30.843 1.00 0.00 C ATOM 1007 O ASN A 66 42.589 15.270 32.053 1.00 0.00 O ATOM 1008 CB ASN A 66 44.592 16.363 30.026 1.00 0.00 C ATOM 1009 CG ASN A 66 45.481 15.141 29.863 1.00 0.00 C ATOM 1010 OD1 ASN A 66 45.243 14.267 29.032 1.00 0.00 O ATOM 1011 ND2 ASN A 66 46.540 15.052 30.626 1.00 0.00 N ATOM 0 H ASN A 66 42.863 18.088 30.204 1.00 0.00 H new ATOM 0 HA ASN A 66 42.980 15.575 28.836 1.00 0.00 H new ATOM 0 HB2 ASN A 66 44.903 17.130 29.317 1.00 0.00 H new ATOM 0 HB3 ASN A 66 44.731 16.777 31.025 1.00 0.00 H new ATOM 0 HD21 ASN A 66 47.171 14.256 30.532 1.00 0.00 H new ATOM 0 HD22 ASN A 66 46.735 15.779 31.315 1.00 0.00 H new