USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 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= -0.0641 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=-0.064,f=-0.025) USER MOD Set 2.1: A 7 SER OG : rot 132:sc= 0.776 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.0296 USER MOD Set 2.3: A 10 THR OG1 : rot -32:sc= 0.255 USER MOD Single : A 1 LYS N :NH3+ -168:sc= 0.933 (180deg=0.829) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 110:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.355 K(o=-0.36,f=-3.4!) 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 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.61) USER MOD Single : A 33 TYR OH : rot -179:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00374 (180deg=-0.11) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 87:sc= 1.23 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= -0.592 K(o=-0.59,f=-4.1!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.765 35.798 36.137 1.00 0.00 N ATOM 2 CA LYS A 1 26.682 34.709 36.547 1.00 0.00 C ATOM 3 C LYS A 1 26.811 33.719 35.395 1.00 0.00 C ATOM 4 O LYS A 1 25.796 33.269 34.864 1.00 0.00 O ATOM 5 CB LYS A 1 26.186 34.021 37.836 1.00 0.00 C ATOM 6 CG LYS A 1 27.120 32.931 38.397 1.00 0.00 C ATOM 7 CD LYS A 1 26.452 32.160 39.549 1.00 0.00 C ATOM 8 CE LYS A 1 27.305 30.991 40.061 1.00 0.00 C ATOM 9 NZ LYS A 1 28.321 31.426 41.046 1.00 0.00 N ATOM 0 H1 LYS A 1 25.824 36.578 36.823 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.037 36.144 35.195 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.790 35.437 36.105 1.00 0.00 H new ATOM 0 HA LYS A 1 27.665 35.123 36.773 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.040 34.782 38.602 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.211 33.576 37.639 1.00 0.00 H new ATOM 0 HG2 LYS A 1 27.391 32.237 37.601 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.044 33.388 38.750 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.255 32.847 40.372 1.00 0.00 H new ATOM 0 HD3 LYS A 1 25.487 31.779 39.213 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.656 30.243 40.518 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.802 30.510 39.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 28.872 30.603 41.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 28.958 32.120 40.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 27.848 31.861 41.863 1.00 0.00 H new ATOM 25 N GLU A 2 28.039 33.388 35.003 1.00 0.00 N ATOM 26 CA GLU A 2 28.366 32.555 33.837 1.00 0.00 C ATOM 27 C GLU A 2 29.403 31.467 34.182 1.00 0.00 C ATOM 28 O GLU A 2 30.211 31.653 35.099 1.00 0.00 O ATOM 29 CB GLU A 2 28.899 33.432 32.689 1.00 0.00 C ATOM 30 CG GLU A 2 27.938 34.504 32.148 1.00 0.00 C ATOM 31 CD GLU A 2 28.023 35.849 32.878 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.963 36.636 32.606 1.00 0.00 O ATOM 33 OE2 GLU A 2 27.110 36.186 33.670 1.00 0.00 O ATOM 0 H GLU A 2 28.869 33.702 35.505 1.00 0.00 H new ATOM 0 HA GLU A 2 27.448 32.058 33.524 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.807 33.928 33.031 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.183 32.779 31.864 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.147 34.663 31.090 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.917 34.129 32.218 1.00 0.00 H new ATOM 40 N GLY A 3 29.411 30.348 33.449 1.00 0.00 N ATOM 41 CA GLY A 3 30.337 29.231 33.690 1.00 0.00 C ATOM 42 C GLY A 3 30.230 28.073 32.689 1.00 0.00 C ATOM 43 O GLY A 3 29.265 27.966 31.935 1.00 0.00 O ATOM 0 H GLY A 3 28.774 30.189 32.669 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.357 29.614 33.672 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.160 28.842 34.693 1.00 0.00 H new ATOM 47 N TYR A 4 31.232 27.193 32.682 1.00 0.00 N ATOM 48 CA TYR A 4 31.357 26.045 31.774 1.00 0.00 C ATOM 49 C TYR A 4 30.306 24.940 32.022 1.00 0.00 C ATOM 50 O TYR A 4 29.774 24.798 33.128 1.00 0.00 O ATOM 51 CB TYR A 4 32.793 25.511 31.898 1.00 0.00 C ATOM 52 CG TYR A 4 33.143 24.385 30.944 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.435 24.657 29.593 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.170 23.061 31.413 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.780 23.611 28.715 1.00 0.00 C ATOM 56 CE2 TYR A 4 33.490 22.012 30.534 1.00 0.00 C ATOM 57 CZ TYR A 4 33.807 22.279 29.186 1.00 0.00 C ATOM 58 OH TYR A 4 34.136 21.246 28.364 1.00 0.00 O ATOM 0 H TYR A 4 32.013 27.261 33.335 1.00 0.00 H new ATOM 0 HA TYR A 4 31.157 26.378 30.756 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.487 26.335 31.733 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.948 25.163 32.919 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.394 25.673 29.229 1.00 0.00 H new ATOM 0 HD2 TYR A 4 32.945 22.849 32.448 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.023 23.826 27.685 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.493 20.994 30.894 1.00 0.00 H new ATOM 0 HH TYR A 4 35.012 20.889 28.622 1.00 0.00 H new ATOM 68 N LEU A 5 30.008 24.126 31.000 1.00 0.00 N ATOM 69 CA LEU A 5 29.033 23.031 31.077 1.00 0.00 C ATOM 70 C LEU A 5 29.689 21.699 31.501 1.00 0.00 C ATOM 71 O LEU A 5 30.469 21.105 30.756 1.00 0.00 O ATOM 72 CB LEU A 5 28.283 22.956 29.734 1.00 0.00 C ATOM 73 CG LEU A 5 27.136 21.929 29.684 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.137 22.070 30.830 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.355 22.091 28.380 1.00 0.00 C ATOM 0 H LEU A 5 30.445 24.212 30.082 1.00 0.00 H new ATOM 0 HA LEU A 5 28.305 23.231 31.863 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.878 23.942 29.506 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.999 22.716 28.948 1.00 0.00 H new ATOM 0 HG LEU A 5 27.611 20.951 29.763 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.358 21.314 30.729 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.653 21.935 31.781 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.686 23.062 30.800 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.545 21.363 28.348 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.941 23.098 28.327 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.022 21.928 27.534 1.00 0.00 H new ATOM 87 N VAL A 6 29.355 21.220 32.705 1.00 0.00 N ATOM 88 CA VAL A 6 29.934 20.024 33.348 1.00 0.00 C ATOM 89 C VAL A 6 28.864 19.265 34.147 1.00 0.00 C ATOM 90 O VAL A 6 27.885 19.867 34.587 1.00 0.00 O ATOM 91 CB VAL A 6 31.121 20.451 34.248 1.00 0.00 C ATOM 92 CG1 VAL A 6 30.664 21.239 35.484 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.016 19.293 34.709 1.00 0.00 C ATOM 0 H VAL A 6 28.646 21.669 33.285 1.00 0.00 H new ATOM 0 HA VAL A 6 30.306 19.343 32.582 1.00 0.00 H new ATOM 0 HB VAL A 6 31.716 21.092 33.598 1.00 0.00 H new ATOM 0 HG11 VAL A 6 31.533 21.515 36.082 1.00 0.00 H new ATOM 0 HG12 VAL A 6 30.140 22.141 35.167 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.994 20.621 36.082 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.821 19.681 35.334 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.423 18.581 35.283 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.441 18.793 33.839 1.00 0.00 H new ATOM 103 N SER A 7 29.060 17.965 34.386 1.00 0.00 N ATOM 104 CA SER A 7 28.296 17.199 35.385 1.00 0.00 C ATOM 105 C SER A 7 29.158 16.169 36.125 1.00 0.00 C ATOM 106 O SER A 7 30.211 15.735 35.641 1.00 0.00 O ATOM 107 CB SER A 7 27.063 16.543 34.745 1.00 0.00 C ATOM 108 OG SER A 7 27.381 15.383 34.004 1.00 0.00 O ATOM 0 H SER A 7 29.756 17.408 33.891 1.00 0.00 H new ATOM 0 HA SER A 7 27.954 17.910 36.137 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.348 16.285 35.526 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.573 17.264 34.090 1.00 0.00 H new ATOM 0 HG SER A 7 26.771 14.658 34.254 1.00 0.00 H new ATOM 114 N LYS A 8 28.711 15.727 37.305 1.00 0.00 N ATOM 115 CA LYS A 8 29.341 14.626 38.059 1.00 0.00 C ATOM 116 C LYS A 8 29.059 13.253 37.439 1.00 0.00 C ATOM 117 O LYS A 8 29.833 12.317 37.647 1.00 0.00 O ATOM 118 CB LYS A 8 28.927 14.685 39.539 1.00 0.00 C ATOM 119 CG LYS A 8 29.423 15.982 40.201 1.00 0.00 C ATOM 120 CD LYS A 8 29.356 15.911 41.729 1.00 0.00 C ATOM 121 CE LYS A 8 29.910 17.211 42.316 1.00 0.00 C ATOM 122 NZ LYS A 8 29.976 17.151 43.790 1.00 0.00 N ATOM 0 H LYS A 8 27.895 16.123 37.772 1.00 0.00 H new ATOM 0 HA LYS A 8 30.421 14.763 38.002 1.00 0.00 H new ATOM 0 HB2 LYS A 8 27.842 14.624 39.619 1.00 0.00 H new ATOM 0 HB3 LYS A 8 29.334 13.824 40.069 1.00 0.00 H new ATOM 0 HG2 LYS A 8 30.450 16.176 39.892 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.821 16.820 39.851 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.326 15.761 42.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.932 15.059 42.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 30.905 17.399 41.913 1.00 0.00 H new ATOM 0 HE3 LYS A 8 29.280 18.047 42.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 30.356 18.047 44.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 29.022 16.996 44.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 30.597 16.368 44.078 1.00 0.00 H new ATOM 136 N SER A 9 27.997 13.127 36.644 1.00 0.00 N ATOM 137 CA SER A 9 27.587 11.879 35.992 1.00 0.00 C ATOM 138 C SER A 9 28.214 11.654 34.612 1.00 0.00 C ATOM 139 O SER A 9 28.499 10.503 34.286 1.00 0.00 O ATOM 140 CB SER A 9 26.060 11.817 35.922 1.00 0.00 C ATOM 141 OG SER A 9 25.507 13.055 35.517 1.00 0.00 O ATOM 0 H SER A 9 27.380 13.910 36.428 1.00 0.00 H new ATOM 0 HA SER A 9 27.967 11.064 36.608 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.759 11.037 35.223 1.00 0.00 H new ATOM 0 HB3 SER A 9 25.661 11.542 36.898 1.00 0.00 H new ATOM 0 HG SER A 9 24.530 12.981 35.481 1.00 0.00 H new ATOM 147 N THR A 10 28.481 12.702 33.820 1.00 0.00 N ATOM 148 CA THR A 10 29.028 12.581 32.445 1.00 0.00 C ATOM 149 C THR A 10 30.151 13.577 32.100 1.00 0.00 C ATOM 150 O THR A 10 30.646 13.586 30.968 1.00 0.00 O ATOM 151 CB THR A 10 27.917 12.632 31.378 1.00 0.00 C ATOM 152 OG1 THR A 10 27.357 13.921 31.270 1.00 0.00 O ATOM 153 CG2 THR A 10 26.762 11.665 31.660 1.00 0.00 C ATOM 0 H THR A 10 28.325 13.668 34.110 1.00 0.00 H new ATOM 0 HA THR A 10 29.494 11.596 32.432 1.00 0.00 H new ATOM 0 HB THR A 10 28.415 12.342 30.453 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.375 14.360 32.146 1.00 0.00 H new ATOM 0 HG21 THR A 10 26.015 11.751 30.871 1.00 0.00 H new ATOM 0 HG22 THR A 10 27.142 10.644 31.690 1.00 0.00 H new ATOM 0 HG23 THR A 10 26.307 11.911 32.619 1.00 0.00 H new ATOM 161 N GLY A 11 30.606 14.392 33.059 1.00 0.00 N ATOM 162 CA GLY A 11 31.810 15.228 32.945 1.00 0.00 C ATOM 163 C GLY A 11 31.671 16.463 32.046 1.00 0.00 C ATOM 164 O GLY A 11 30.566 16.950 31.792 1.00 0.00 O ATOM 0 H GLY A 11 30.136 14.492 33.959 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.099 15.557 33.943 1.00 0.00 H new ATOM 0 HA3 GLY A 11 32.625 14.612 32.564 1.00 0.00 H new ATOM 168 N CYS A 12 32.819 16.970 31.582 1.00 0.00 N ATOM 169 CA CYS A 12 32.960 18.035 30.581 1.00 0.00 C ATOM 170 C CYS A 12 32.246 17.718 29.253 1.00 0.00 C ATOM 171 O CYS A 12 31.928 16.558 28.959 1.00 0.00 O ATOM 172 CB CYS A 12 34.460 18.244 30.302 1.00 0.00 C ATOM 173 SG CYS A 12 35.404 19.075 31.604 1.00 0.00 S ATOM 0 H CYS A 12 33.723 16.631 31.912 1.00 0.00 H new ATOM 0 HA CYS A 12 32.493 18.932 30.988 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.914 17.270 30.118 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.561 18.822 29.383 1.00 0.00 H new ATOM 178 N LYS A 13 32.053 18.744 28.413 1.00 0.00 N ATOM 179 CA LYS A 13 31.551 18.593 27.038 1.00 0.00 C ATOM 180 C LYS A 13 32.662 18.419 26.004 1.00 0.00 C ATOM 181 O LYS A 13 33.834 18.720 26.250 1.00 0.00 O ATOM 182 CB LYS A 13 30.570 19.734 26.683 1.00 0.00 C ATOM 183 CG LYS A 13 29.269 19.744 27.514 1.00 0.00 C ATOM 184 CD LYS A 13 28.700 18.333 27.704 1.00 0.00 C ATOM 185 CE LYS A 13 27.283 18.239 28.260 1.00 0.00 C ATOM 186 NZ LYS A 13 26.967 16.810 28.468 1.00 0.00 N ATOM 0 H LYS A 13 32.243 19.713 28.670 1.00 0.00 H new ATOM 0 HA LYS A 13 30.993 17.658 27.002 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.079 20.688 26.818 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.311 19.657 25.627 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.465 20.191 28.489 1.00 0.00 H new ATOM 0 HG3 LYS A 13 28.527 20.371 27.019 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.723 17.824 26.741 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.365 17.784 28.371 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.205 18.787 29.199 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.572 18.690 27.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.003 16.719 28.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.031 16.305 27.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.645 16.399 29.142 1.00 0.00 H new ATOM 200 N TYR A 14 32.275 17.905 24.844 1.00 0.00 N ATOM 201 CA TYR A 14 33.156 17.621 23.710 1.00 0.00 C ATOM 202 C TYR A 14 33.121 18.796 22.715 1.00 0.00 C ATOM 203 O TYR A 14 32.094 19.474 22.594 1.00 0.00 O ATOM 204 CB TYR A 14 32.757 16.254 23.129 1.00 0.00 C ATOM 205 CG TYR A 14 32.892 15.114 24.135 1.00 0.00 C ATOM 206 CD1 TYR A 14 34.160 14.568 24.416 1.00 0.00 C ATOM 207 CD2 TYR A 14 31.759 14.619 24.814 1.00 0.00 C ATOM 208 CE1 TYR A 14 34.302 13.539 25.369 1.00 0.00 C ATOM 209 CE2 TYR A 14 31.895 13.589 25.768 1.00 0.00 C ATOM 210 CZ TYR A 14 33.168 13.044 26.047 1.00 0.00 C ATOM 211 OH TYR A 14 33.296 12.026 26.948 1.00 0.00 O ATOM 0 H TYR A 14 31.302 17.664 24.656 1.00 0.00 H new ATOM 0 HA TYR A 14 34.202 17.540 24.005 1.00 0.00 H new ATOM 0 HB2 TYR A 14 31.726 16.302 22.779 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.379 16.040 22.260 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.031 14.941 23.897 1.00 0.00 H new ATOM 0 HD2 TYR A 14 30.783 15.030 24.602 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.279 13.130 25.580 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.024 13.216 26.286 1.00 0.00 H new ATOM 0 HH TYR A 14 32.417 11.809 27.323 1.00 0.00 H new ATOM 221 N GLU A 15 34.239 19.097 22.052 1.00 0.00 N ATOM 222 CA GLU A 15 34.439 20.397 21.384 1.00 0.00 C ATOM 223 C GLU A 15 33.483 20.652 20.201 1.00 0.00 C ATOM 224 O GLU A 15 33.204 19.765 19.386 1.00 0.00 O ATOM 225 CB GLU A 15 35.902 20.580 20.930 1.00 0.00 C ATOM 226 CG GLU A 15 36.895 20.912 22.056 1.00 0.00 C ATOM 227 CD GLU A 15 37.454 19.678 22.768 1.00 0.00 C ATOM 228 OE1 GLU A 15 38.374 19.021 22.221 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.999 19.372 23.897 1.00 0.00 O ATOM 0 H GLU A 15 35.028 18.457 21.960 1.00 0.00 H new ATOM 0 HA GLU A 15 34.199 21.142 22.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.230 19.666 20.435 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.939 21.376 20.187 1.00 0.00 H new ATOM 0 HG2 GLU A 15 37.723 21.487 21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.400 21.550 22.788 1.00 0.00 H new ATOM 236 N CYS A 16 33.004 21.893 20.084 1.00 0.00 N ATOM 237 CA CYS A 16 32.035 22.311 19.074 1.00 0.00 C ATOM 238 C CYS A 16 32.680 22.500 17.685 1.00 0.00 C ATOM 239 O CYS A 16 33.881 22.750 17.552 1.00 0.00 O ATOM 240 CB CYS A 16 31.268 23.551 19.571 1.00 0.00 C ATOM 241 SG CYS A 16 32.134 25.146 19.459 1.00 0.00 S ATOM 0 H CYS A 16 33.287 22.651 20.705 1.00 0.00 H new ATOM 0 HA CYS A 16 31.308 21.512 18.932 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.340 23.627 19.004 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.992 23.386 20.613 1.00 0.00 H new ATOM 246 N LEU A 17 31.866 22.382 16.635 1.00 0.00 N ATOM 247 CA LEU A 17 32.240 22.598 15.233 1.00 0.00 C ATOM 248 C LEU A 17 31.967 24.045 14.772 1.00 0.00 C ATOM 249 O LEU A 17 32.538 24.470 13.767 1.00 0.00 O ATOM 250 CB LEU A 17 31.490 21.583 14.344 1.00 0.00 C ATOM 251 CG LEU A 17 31.643 20.100 14.743 1.00 0.00 C ATOM 252 CD1 LEU A 17 30.815 19.223 13.803 1.00 0.00 C ATOM 253 CD2 LEU A 17 33.094 19.619 14.689 1.00 0.00 C ATOM 0 H LEU A 17 30.885 22.122 16.741 1.00 0.00 H new ATOM 0 HA LEU A 17 33.315 22.442 15.138 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.429 21.835 14.353 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.837 21.701 13.318 1.00 0.00 H new ATOM 0 HG LEU A 17 31.294 20.017 15.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.926 18.177 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.765 19.508 13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 17 31.163 19.358 12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 17 33.140 18.569 14.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 33.477 19.732 13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.700 20.212 15.374 1.00 0.00 H new ATOM 265 N LYS A 18 31.123 24.788 15.512 1.00 0.00 N ATOM 266 CA LYS A 18 30.769 26.204 15.295 1.00 0.00 C ATOM 267 C LYS A 18 30.776 26.995 16.616 1.00 0.00 C ATOM 268 O LYS A 18 29.966 26.722 17.505 1.00 0.00 O ATOM 269 CB LYS A 18 29.400 26.270 14.592 1.00 0.00 C ATOM 270 CG LYS A 18 29.006 27.694 14.169 1.00 0.00 C ATOM 271 CD LYS A 18 27.606 27.700 13.538 1.00 0.00 C ATOM 272 CE LYS A 18 27.265 29.075 12.952 1.00 0.00 C ATOM 273 NZ LYS A 18 25.826 29.170 12.606 1.00 0.00 N ATOM 0 H LYS A 18 30.643 24.395 16.322 1.00 0.00 H new ATOM 0 HA LYS A 18 31.518 26.673 14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.420 25.628 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.636 25.872 15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.024 28.355 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.734 28.083 13.457 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.555 26.945 12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.865 27.429 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.521 29.853 13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.868 29.253 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.625 30.111 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.589 28.442 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.253 29.023 13.461 1.00 0.00 H new ATOM 287 N LEU A 19 31.666 27.984 16.728 1.00 0.00 N ATOM 288 CA LEU A 19 31.918 28.808 17.921 1.00 0.00 C ATOM 289 C LEU A 19 30.933 29.990 18.040 1.00 0.00 C ATOM 290 O LEU A 19 30.486 30.541 17.031 1.00 0.00 O ATOM 291 CB LEU A 19 33.394 29.260 17.872 1.00 0.00 C ATOM 292 CG LEU A 19 33.923 30.010 19.111 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.887 29.140 20.368 1.00 0.00 C ATOM 294 CD2 LEU A 19 35.376 30.431 18.888 1.00 0.00 C ATOM 0 H LEU A 19 32.266 28.249 15.947 1.00 0.00 H new ATOM 0 HA LEU A 19 31.746 28.220 18.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.016 28.379 17.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.526 29.903 17.002 1.00 0.00 H new ATOM 0 HG LEU A 19 33.276 30.875 19.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.269 29.709 21.216 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.860 28.834 20.569 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.506 28.256 20.216 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.741 30.960 19.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.989 29.546 18.716 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.435 31.087 18.020 1.00 0.00 H new ATOM 306 N GLY A 20 30.570 30.379 19.268 1.00 0.00 N ATOM 307 CA GLY A 20 29.584 31.434 19.565 1.00 0.00 C ATOM 308 C GLY A 20 28.114 31.052 19.315 1.00 0.00 C ATOM 309 O GLY A 20 27.210 31.757 19.752 1.00 0.00 O ATOM 0 H GLY A 20 30.964 29.958 20.110 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.693 31.726 20.609 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.822 32.310 18.962 1.00 0.00 H new ATOM 313 N ASP A 21 27.867 29.927 18.644 1.00 0.00 N ATOM 314 CA ASP A 21 26.541 29.362 18.377 1.00 0.00 C ATOM 315 C ASP A 21 25.849 28.817 19.645 1.00 0.00 C ATOM 316 O ASP A 21 26.517 28.406 20.597 1.00 0.00 O ATOM 317 CB ASP A 21 26.720 28.268 17.315 1.00 0.00 C ATOM 318 CG ASP A 21 25.484 27.396 17.125 1.00 0.00 C ATOM 319 OD1 ASP A 21 24.394 27.942 16.839 1.00 0.00 O ATOM 320 OD2 ASP A 21 25.610 26.160 17.299 1.00 0.00 O ATOM 0 H ASP A 21 28.618 29.358 18.254 1.00 0.00 H new ATOM 0 HA ASP A 21 25.878 30.149 18.017 1.00 0.00 H new ATOM 0 HB2 ASP A 21 26.975 28.735 16.364 1.00 0.00 H new ATOM 0 HB3 ASP A 21 27.562 27.635 17.595 1.00 0.00 H new ATOM 325 N ASN A 22 24.510 28.780 19.629 1.00 0.00 N ATOM 326 CA ASN A 22 23.666 28.270 20.714 1.00 0.00 C ATOM 327 C ASN A 22 22.574 27.256 20.303 1.00 0.00 C ATOM 328 O ASN A 22 21.715 26.912 21.120 1.00 0.00 O ATOM 329 CB ASN A 22 23.123 29.479 21.502 1.00 0.00 C ATOM 330 CG ASN A 22 22.081 30.304 20.758 1.00 0.00 C ATOM 331 OD1 ASN A 22 21.456 29.867 19.802 1.00 0.00 O ATOM 332 ND2 ASN A 22 21.853 31.522 21.183 1.00 0.00 N ATOM 0 H ASN A 22 23.968 29.116 18.833 1.00 0.00 H new ATOM 0 HA ASN A 22 24.293 27.652 21.357 1.00 0.00 H new ATOM 0 HB2 ASN A 22 22.686 29.122 22.435 1.00 0.00 H new ATOM 0 HB3 ASN A 22 23.958 30.127 21.769 1.00 0.00 H new ATOM 0 HD21 ASN A 22 21.156 32.103 20.717 1.00 0.00 H new ATOM 0 HD22 ASN A 22 22.372 31.890 21.980 1.00 0.00 H new ATOM 339 N ASP A 23 22.616 26.752 19.068 1.00 0.00 N ATOM 340 CA ASP A 23 21.630 25.818 18.483 1.00 0.00 C ATOM 341 C ASP A 23 21.449 24.517 19.300 1.00 0.00 C ATOM 342 O ASP A 23 20.335 23.993 19.373 1.00 0.00 O ATOM 343 CB ASP A 23 22.041 25.521 17.029 1.00 0.00 C ATOM 344 CG ASP A 23 21.184 24.445 16.354 1.00 0.00 C ATOM 345 OD1 ASP A 23 20.096 24.759 15.816 1.00 0.00 O ATOM 346 OD2 ASP A 23 21.601 23.262 16.375 1.00 0.00 O ATOM 0 H ASP A 23 23.364 26.988 18.416 1.00 0.00 H new ATOM 0 HA ASP A 23 20.652 26.300 18.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.978 26.441 16.448 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.084 25.205 17.013 1.00 0.00 H new ATOM 351 N TYR A 24 22.506 24.051 19.972 1.00 0.00 N ATOM 352 CA TYR A 24 22.531 22.929 20.924 1.00 0.00 C ATOM 353 C TYR A 24 22.906 23.382 22.345 1.00 0.00 C ATOM 354 O TYR A 24 22.318 22.891 23.315 1.00 0.00 O ATOM 355 CB TYR A 24 23.515 21.870 20.397 1.00 0.00 C ATOM 356 CG TYR A 24 24.187 20.960 21.419 1.00 0.00 C ATOM 357 CD1 TYR A 24 23.590 19.749 21.824 1.00 0.00 C ATOM 358 CD2 TYR A 24 25.462 21.299 21.911 1.00 0.00 C ATOM 359 CE1 TYR A 24 24.279 18.871 22.688 1.00 0.00 C ATOM 360 CE2 TYR A 24 26.156 20.421 22.764 1.00 0.00 C ATOM 361 CZ TYR A 24 25.575 19.199 23.146 1.00 0.00 C ATOM 362 OH TYR A 24 26.280 18.355 23.946 1.00 0.00 O ATOM 0 H TYR A 24 23.428 24.473 19.860 1.00 0.00 H new ATOM 0 HA TYR A 24 21.530 22.503 21.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 22.981 21.240 19.686 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.298 22.386 19.841 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.602 19.492 21.472 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.911 22.241 21.631 1.00 0.00 H new ATOM 0 HE1 TYR A 24 23.815 17.947 23.000 1.00 0.00 H new ATOM 0 HE2 TYR A 24 27.138 20.687 23.126 1.00 0.00 H new ATOM 0 HH TYR A 24 27.150 18.754 24.156 1.00 0.00 H new ATOM 372 N CYS A 25 23.848 24.326 22.492 1.00 0.00 N ATOM 373 CA CYS A 25 24.360 24.707 23.813 1.00 0.00 C ATOM 374 C CYS A 25 23.282 25.305 24.731 1.00 0.00 C ATOM 375 O CYS A 25 23.318 25.043 25.932 1.00 0.00 O ATOM 376 CB CYS A 25 25.538 25.687 23.688 1.00 0.00 C ATOM 377 SG CYS A 25 27.055 25.065 22.911 1.00 0.00 S ATOM 0 H CYS A 25 24.268 24.836 21.715 1.00 0.00 H new ATOM 0 HA CYS A 25 24.703 23.782 24.277 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.198 26.553 23.120 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.791 26.041 24.688 1.00 0.00 H new ATOM 382 N LEU A 26 22.309 26.060 24.199 1.00 0.00 N ATOM 383 CA LEU A 26 21.263 26.700 25.010 1.00 0.00 C ATOM 384 C LEU A 26 20.462 25.672 25.820 1.00 0.00 C ATOM 385 O LEU A 26 20.364 25.783 27.045 1.00 0.00 O ATOM 386 CB LEU A 26 20.350 27.535 24.090 1.00 0.00 C ATOM 387 CG LEU A 26 19.174 28.242 24.795 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.649 29.198 25.888 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.369 29.042 23.773 1.00 0.00 C ATOM 0 H LEU A 26 22.225 26.243 23.199 1.00 0.00 H new ATOM 0 HA LEU A 26 21.735 27.361 25.737 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.958 28.288 23.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.948 26.882 23.315 1.00 0.00 H new ATOM 0 HG LEU A 26 18.562 27.467 25.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.787 29.673 26.356 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.210 28.642 26.639 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.290 29.963 25.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.539 29.540 24.273 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.012 29.788 23.307 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.981 28.369 23.009 1.00 0.00 H new ATOM 401 N ARG A 27 19.922 24.638 25.161 1.00 0.00 N ATOM 402 CA ARG A 27 19.121 23.620 25.852 1.00 0.00 C ATOM 403 C ARG A 27 19.971 22.621 26.638 1.00 0.00 C ATOM 404 O ARG A 27 19.525 22.163 27.685 1.00 0.00 O ATOM 405 CB ARG A 27 18.138 22.968 24.872 1.00 0.00 C ATOM 406 CG ARG A 27 17.099 22.120 25.624 1.00 0.00 C ATOM 407 CD ARG A 27 15.907 21.765 24.733 1.00 0.00 C ATOM 408 NE ARG A 27 14.912 20.990 25.486 1.00 0.00 N ATOM 409 CZ ARG A 27 13.707 20.644 25.089 1.00 0.00 C ATOM 410 NH1 ARG A 27 13.242 20.910 23.904 1.00 0.00 N ATOM 411 NH2 ARG A 27 12.916 20.008 25.892 1.00 0.00 N ATOM 0 H ARG A 27 20.024 24.485 24.158 1.00 0.00 H new ATOM 0 HA ARG A 27 18.527 24.116 26.620 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.633 23.739 24.290 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.683 22.342 24.166 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.569 21.205 25.985 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.749 22.666 26.500 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.450 22.676 24.347 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.248 21.190 23.872 1.00 0.00 H new ATOM 0 HE ARG A 27 15.186 20.687 26.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.821 21.411 23.230 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.299 20.618 23.649 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.227 19.774 26.835 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.982 19.741 25.582 1.00 0.00 H new ATOM 425 N GLU A 28 21.215 22.356 26.234 1.00 0.00 N ATOM 426 CA GLU A 28 22.122 21.503 27.022 1.00 0.00 C ATOM 427 C GLU A 28 22.543 22.181 28.346 1.00 0.00 C ATOM 428 O GLU A 28 22.663 21.509 29.375 1.00 0.00 O ATOM 429 CB GLU A 28 23.336 21.093 26.165 1.00 0.00 C ATOM 430 CG GLU A 28 23.875 19.696 26.517 1.00 0.00 C ATOM 431 CD GLU A 28 22.968 18.525 26.087 1.00 0.00 C ATOM 432 OE1 GLU A 28 21.942 18.731 25.387 1.00 0.00 O ATOM 433 OE2 GLU A 28 23.308 17.359 26.413 1.00 0.00 O ATOM 0 H GLU A 28 21.621 22.716 25.370 1.00 0.00 H new ATOM 0 HA GLU A 28 21.586 20.597 27.305 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.054 21.113 25.112 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.131 21.827 26.296 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.852 19.571 26.050 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.028 19.642 27.595 1.00 0.00 H new ATOM 440 N CYS A 29 22.669 23.517 28.352 1.00 0.00 N ATOM 441 CA CYS A 29 22.802 24.334 29.562 1.00 0.00 C ATOM 442 C CYS A 29 21.528 24.302 30.425 1.00 0.00 C ATOM 443 O CYS A 29 21.621 24.057 31.629 1.00 0.00 O ATOM 444 CB CYS A 29 23.155 25.778 29.172 1.00 0.00 C ATOM 445 SG CYS A 29 24.868 26.035 28.647 1.00 0.00 S ATOM 0 H CYS A 29 22.681 24.069 27.495 1.00 0.00 H new ATOM 0 HA CYS A 29 23.605 23.912 30.166 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.493 26.092 28.365 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.951 26.428 30.023 1.00 0.00 H new ATOM 450 N LYS A 30 20.335 24.486 29.832 1.00 0.00 N ATOM 451 CA LYS A 30 19.050 24.399 30.561 1.00 0.00 C ATOM 452 C LYS A 30 18.802 23.013 31.166 1.00 0.00 C ATOM 453 O LYS A 30 18.272 22.917 32.274 1.00 0.00 O ATOM 454 CB LYS A 30 17.872 24.813 29.657 1.00 0.00 C ATOM 455 CG LYS A 30 17.848 26.323 29.368 1.00 0.00 C ATOM 456 CD LYS A 30 16.666 26.714 28.467 1.00 0.00 C ATOM 457 CE LYS A 30 16.691 28.226 28.225 1.00 0.00 C ATOM 458 NZ LYS A 30 15.500 28.708 27.487 1.00 0.00 N ATOM 0 H LYS A 30 20.231 24.698 28.840 1.00 0.00 H new ATOM 0 HA LYS A 30 19.120 25.100 31.393 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.933 24.268 28.715 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.935 24.523 30.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.786 26.872 30.308 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.782 26.616 28.889 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.726 26.181 27.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.725 26.425 28.936 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.753 28.742 29.183 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.590 28.485 27.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.569 29.737 27.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.452 28.239 26.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.642 28.487 28.031 1.00 0.00 H new ATOM 472 N GLN A 31 19.225 21.940 30.497 1.00 0.00 N ATOM 473 CA GLN A 31 19.154 20.570 31.017 1.00 0.00 C ATOM 474 C GLN A 31 20.021 20.384 32.276 1.00 0.00 C ATOM 475 O GLN A 31 19.575 19.737 33.224 1.00 0.00 O ATOM 476 CB GLN A 31 19.536 19.591 29.892 1.00 0.00 C ATOM 477 CG GLN A 31 19.458 18.117 30.324 1.00 0.00 C ATOM 478 CD GLN A 31 19.697 17.158 29.160 1.00 0.00 C ATOM 479 OE1 GLN A 31 18.784 16.521 28.646 1.00 0.00 O ATOM 480 NE2 GLN A 31 20.912 17.036 28.681 1.00 0.00 N ATOM 0 H GLN A 31 19.633 21.997 29.564 1.00 0.00 H new ATOM 0 HA GLN A 31 18.133 20.360 31.335 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.875 19.749 29.040 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.549 19.812 29.555 1.00 0.00 H new ATOM 0 HG2 GLN A 31 20.196 17.930 31.104 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.478 17.920 30.759 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.680 17.560 29.100 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.089 16.417 27.890 1.00 0.00 H new ATOM 489 N GLN A 32 21.212 20.992 32.334 1.00 0.00 N ATOM 490 CA GLN A 32 22.109 20.878 33.489 1.00 0.00 C ATOM 491 C GLN A 32 21.720 21.816 34.647 1.00 0.00 C ATOM 492 O GLN A 32 21.531 21.359 35.778 1.00 0.00 O ATOM 493 CB GLN A 32 23.557 21.114 33.020 1.00 0.00 C ATOM 494 CG GLN A 32 24.608 20.810 34.103 1.00 0.00 C ATOM 495 CD GLN A 32 24.643 19.342 34.519 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.274 18.438 33.776 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.064 19.049 35.726 1.00 0.00 N ATOM 0 H GLN A 32 21.580 21.576 31.583 1.00 0.00 H new ATOM 0 HA GLN A 32 22.018 19.871 33.897 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.755 20.491 32.148 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.663 22.151 32.702 1.00 0.00 H new ATOM 0 HG2 GLN A 32 25.592 21.099 33.735 1.00 0.00 H new ATOM 0 HG3 GLN A 32 24.403 21.424 34.980 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.373 19.792 36.353 1.00 0.00 H new ATOM 0 HE22 GLN A 32 25.082 18.078 36.038 1.00 0.00 H new ATOM 506 N TYR A 33 21.594 23.118 34.367 1.00 0.00 N ATOM 507 CA TYR A 33 21.506 24.197 35.365 1.00 0.00 C ATOM 508 C TYR A 33 20.097 24.815 35.514 1.00 0.00 C ATOM 509 O TYR A 33 19.929 25.815 36.212 1.00 0.00 O ATOM 510 CB TYR A 33 22.573 25.261 35.048 1.00 0.00 C ATOM 511 CG TYR A 33 24.021 24.786 34.972 1.00 0.00 C ATOM 512 CD1 TYR A 33 24.588 24.036 36.023 1.00 0.00 C ATOM 513 CD2 TYR A 33 24.823 25.157 33.873 1.00 0.00 C ATOM 514 CE1 TYR A 33 25.941 23.645 35.963 1.00 0.00 C ATOM 515 CE2 TYR A 33 26.184 24.789 33.824 1.00 0.00 C ATOM 516 CZ TYR A 33 26.742 24.022 34.867 1.00 0.00 C ATOM 517 OH TYR A 33 28.051 23.662 34.840 1.00 0.00 O ATOM 0 H TYR A 33 21.549 23.464 33.409 1.00 0.00 H new ATOM 0 HA TYR A 33 21.703 23.753 36.341 1.00 0.00 H new ATOM 0 HB2 TYR A 33 22.318 25.724 34.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 22.511 26.040 35.808 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.985 23.761 36.875 1.00 0.00 H new ATOM 0 HD2 TYR A 33 24.392 25.727 33.063 1.00 0.00 H new ATOM 0 HE1 TYR A 33 26.366 23.054 36.761 1.00 0.00 H new ATOM 0 HE2 TYR A 33 26.797 25.094 32.989 1.00 0.00 H new ATOM 0 HH TYR A 33 28.469 24.011 34.025 1.00 0.00 H new ATOM 527 N GLY A 34 19.078 24.228 34.879 1.00 0.00 N ATOM 528 CA GLY A 34 17.675 24.645 34.984 1.00 0.00 C ATOM 529 C GLY A 34 17.221 25.624 33.896 1.00 0.00 C ATOM 530 O GLY A 34 18.037 26.303 33.260 1.00 0.00 O ATOM 0 H GLY A 34 19.209 23.428 34.261 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.042 23.759 34.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.518 25.106 35.959 1.00 0.00 H new ATOM 534 N LYS A 35 15.900 25.689 33.673 1.00 0.00 N ATOM 535 CA LYS A 35 15.259 26.392 32.540 1.00 0.00 C ATOM 536 C LYS A 35 15.582 27.891 32.433 1.00 0.00 C ATOM 537 O LYS A 35 15.517 28.444 31.335 1.00 0.00 O ATOM 538 CB LYS A 35 13.737 26.152 32.578 1.00 0.00 C ATOM 539 CG LYS A 35 13.028 26.914 33.711 1.00 0.00 C ATOM 540 CD LYS A 35 11.536 26.574 33.841 1.00 0.00 C ATOM 541 CE LYS A 35 11.257 25.185 34.434 1.00 0.00 C ATOM 542 NZ LYS A 35 11.722 25.072 35.838 1.00 0.00 N ATOM 0 H LYS A 35 15.224 25.242 34.292 1.00 0.00 H new ATOM 0 HA LYS A 35 15.690 25.961 31.637 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.305 26.451 31.623 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.547 25.085 32.693 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.526 26.691 34.655 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.134 27.985 33.539 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.056 27.327 34.466 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.073 26.636 32.856 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.187 24.981 34.390 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.751 24.427 33.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.366 24.187 36.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.762 25.071 35.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.365 25.879 36.388 1.00 0.00 H new ATOM 556 N SER A 36 15.974 28.543 33.530 1.00 0.00 N ATOM 557 CA SER A 36 16.352 29.967 33.538 1.00 0.00 C ATOM 558 C SER A 36 17.664 30.270 32.796 1.00 0.00 C ATOM 559 O SER A 36 17.929 31.430 32.482 1.00 0.00 O ATOM 560 CB SER A 36 16.471 30.472 34.981 1.00 0.00 C ATOM 561 OG SER A 36 15.270 30.237 35.689 1.00 0.00 O ATOM 0 H SER A 36 16.040 28.099 34.446 1.00 0.00 H new ATOM 0 HA SER A 36 15.556 30.486 33.004 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.299 29.970 35.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.698 31.538 34.982 1.00 0.00 H new ATOM 0 HG SER A 36 15.363 30.563 36.608 1.00 0.00 H new ATOM 567 N SER A 37 18.486 29.250 32.527 1.00 0.00 N ATOM 568 CA SER A 37 19.852 29.385 31.996 1.00 0.00 C ATOM 569 C SER A 37 19.899 29.799 30.519 1.00 0.00 C ATOM 570 O SER A 37 19.058 29.378 29.724 1.00 0.00 O ATOM 571 CB SER A 37 20.625 28.072 32.163 1.00 0.00 C ATOM 572 OG SER A 37 20.451 27.547 33.466 1.00 0.00 O ATOM 0 H SER A 37 18.214 28.278 32.676 1.00 0.00 H new ATOM 0 HA SER A 37 20.315 30.184 32.576 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.282 27.347 31.425 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.685 28.242 31.973 1.00 0.00 H new ATOM 0 HG SER A 37 19.646 26.989 33.489 1.00 0.00 H new ATOM 578 N GLY A 38 20.909 30.575 30.131 1.00 0.00 N ATOM 579 CA GLY A 38 21.315 30.792 28.736 1.00 0.00 C ATOM 580 C GLY A 38 22.608 30.034 28.394 1.00 0.00 C ATOM 581 O GLY A 38 23.105 29.254 29.212 1.00 0.00 O ATOM 0 H GLY A 38 21.488 31.088 30.796 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.516 30.467 28.070 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.461 31.858 28.561 1.00 0.00 H new ATOM 585 N GLY A 39 23.180 30.257 27.204 1.00 0.00 N ATOM 586 CA GLY A 39 24.465 29.650 26.826 1.00 0.00 C ATOM 587 C GLY A 39 24.851 29.738 25.345 1.00 0.00 C ATOM 588 O GLY A 39 24.038 30.091 24.492 1.00 0.00 O ATOM 0 H GLY A 39 22.773 30.854 26.484 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.252 30.123 27.413 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.443 28.598 27.111 1.00 0.00 H new ATOM 592 N TYR A 40 26.112 29.414 25.050 1.00 0.00 N ATOM 593 CA TYR A 40 26.751 29.412 23.722 1.00 0.00 C ATOM 594 C TYR A 40 28.050 28.575 23.737 1.00 0.00 C ATOM 595 O TYR A 40 28.581 28.277 24.806 1.00 0.00 O ATOM 596 CB TYR A 40 27.043 30.863 23.273 1.00 0.00 C ATOM 597 CG TYR A 40 27.522 31.842 24.345 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.724 31.623 25.050 1.00 0.00 C ATOM 599 CD2 TYR A 40 26.756 32.990 24.632 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.142 32.529 26.047 1.00 0.00 C ATOM 601 CE2 TYR A 40 27.168 33.895 25.628 1.00 0.00 C ATOM 602 CZ TYR A 40 28.358 33.665 26.347 1.00 0.00 C ATOM 603 OH TYR A 40 28.742 34.542 27.313 1.00 0.00 O ATOM 0 H TYR A 40 26.763 29.125 25.780 1.00 0.00 H new ATOM 0 HA TYR A 40 26.066 28.954 23.008 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.796 30.828 22.486 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.135 31.268 22.827 1.00 0.00 H new ATOM 0 HD1 TYR A 40 29.328 30.756 24.825 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.845 33.177 24.083 1.00 0.00 H new ATOM 0 HE1 TYR A 40 30.064 32.354 26.582 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.570 34.769 25.842 1.00 0.00 H new ATOM 0 HH TYR A 40 28.082 35.263 27.381 1.00 0.00 H new ATOM 613 N CYS A 41 28.618 28.210 22.582 1.00 0.00 N ATOM 614 CA CYS A 41 29.989 27.672 22.541 1.00 0.00 C ATOM 615 C CYS A 41 31.026 28.789 22.805 1.00 0.00 C ATOM 616 O CYS A 41 30.943 29.859 22.194 1.00 0.00 O ATOM 617 CB CYS A 41 30.254 26.906 21.235 1.00 0.00 C ATOM 618 SG CYS A 41 31.859 26.053 21.266 1.00 0.00 S ATOM 0 H CYS A 41 28.160 28.275 21.673 1.00 0.00 H new ATOM 0 HA CYS A 41 30.097 26.944 23.345 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.459 26.178 21.073 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.227 27.600 20.395 1.00 0.00 H new ATOM 623 N TYR A 42 32.002 28.555 23.696 1.00 0.00 N ATOM 624 CA TYR A 42 33.011 29.555 24.105 1.00 0.00 C ATOM 625 C TYR A 42 34.400 28.949 24.376 1.00 0.00 C ATOM 626 O TYR A 42 35.369 29.326 23.711 1.00 0.00 O ATOM 627 CB TYR A 42 32.484 30.319 25.331 1.00 0.00 C ATOM 628 CG TYR A 42 33.475 31.227 26.039 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.825 32.477 25.492 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.029 30.827 27.272 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.744 33.312 26.161 1.00 0.00 C ATOM 632 CE2 TYR A 42 34.934 31.663 27.952 1.00 0.00 C ATOM 633 CZ TYR A 42 35.299 32.906 27.396 1.00 0.00 C ATOM 634 OH TYR A 42 36.185 33.700 28.058 1.00 0.00 O ATOM 0 H TYR A 42 32.117 27.655 24.161 1.00 0.00 H new ATOM 0 HA TYR A 42 33.158 30.241 23.271 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.632 30.922 25.017 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.111 29.592 26.052 1.00 0.00 H new ATOM 0 HD1 TYR A 42 33.388 32.797 24.557 1.00 0.00 H new ATOM 0 HD2 TYR A 42 33.757 29.872 27.698 1.00 0.00 H new ATOM 0 HE1 TYR A 42 35.024 34.262 25.730 1.00 0.00 H new ATOM 0 HE2 TYR A 42 35.349 31.352 28.900 1.00 0.00 H new ATOM 0 HH TYR A 42 36.460 33.260 28.889 1.00 0.00 H new ATOM 644 N ALA A 43 34.508 27.989 25.304 1.00 0.00 N ATOM 645 CA ALA A 43 35.775 27.370 25.730 1.00 0.00 C ATOM 646 C ALA A 43 36.178 26.199 24.807 1.00 0.00 C ATOM 647 O ALA A 43 36.353 25.059 25.247 1.00 0.00 O ATOM 648 CB ALA A 43 35.647 26.978 27.209 1.00 0.00 C ATOM 0 H ALA A 43 33.697 27.610 25.793 1.00 0.00 H new ATOM 0 HA ALA A 43 36.595 28.083 25.638 1.00 0.00 H new ATOM 0 HB1 ALA A 43 36.576 26.517 27.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 35.447 27.868 27.805 1.00 0.00 H new ATOM 0 HB3 ALA A 43 34.827 26.270 27.328 1.00 0.00 H new ATOM 654 N PHE A 44 36.133 26.456 23.493 1.00 0.00 N ATOM 655 CA PHE A 44 36.035 25.468 22.401 1.00 0.00 C ATOM 656 C PHE A 44 34.849 24.475 22.514 1.00 0.00 C ATOM 657 O PHE A 44 34.664 23.611 21.662 1.00 0.00 O ATOM 658 CB PHE A 44 37.399 24.788 22.164 1.00 0.00 C ATOM 659 CG PHE A 44 37.938 24.958 20.753 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.249 24.410 19.653 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.122 25.689 20.536 1.00 0.00 C ATOM 662 CE1 PHE A 44 37.732 24.607 18.346 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.607 25.880 19.231 1.00 0.00 C ATOM 664 CZ PHE A 44 38.909 25.345 18.134 1.00 0.00 C ATOM 0 H PHE A 44 36.166 27.412 23.139 1.00 0.00 H new ATOM 0 HA PHE A 44 35.781 26.030 21.502 1.00 0.00 H new ATOM 0 HB2 PHE A 44 38.123 25.194 22.870 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.305 23.724 22.380 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.348 23.837 19.813 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.659 26.104 21.376 1.00 0.00 H new ATOM 0 HE1 PHE A 44 37.198 24.191 17.505 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.517 26.439 19.070 1.00 0.00 H new ATOM 0 HZ PHE A 44 39.277 25.501 17.131 1.00 0.00 H new ATOM 674 N ALA A 45 34.012 24.620 23.542 1.00 0.00 N ATOM 675 CA ALA A 45 32.821 23.832 23.841 1.00 0.00 C ATOM 676 C ALA A 45 31.767 24.703 24.551 1.00 0.00 C ATOM 677 O ALA A 45 32.013 25.882 24.845 1.00 0.00 O ATOM 678 CB ALA A 45 33.253 22.642 24.704 1.00 0.00 C ATOM 0 H ALA A 45 34.163 25.349 24.240 1.00 0.00 H new ATOM 0 HA ALA A 45 32.358 23.464 22.925 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.382 22.032 24.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 33.978 22.040 24.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 33.707 23.007 25.626 1.00 0.00 H new ATOM 684 N CYS A 46 30.590 24.131 24.809 1.00 0.00 N ATOM 685 CA CYS A 46 29.460 24.824 25.428 1.00 0.00 C ATOM 686 C CYS A 46 29.750 25.434 26.817 1.00 0.00 C ATOM 687 O CYS A 46 30.403 24.841 27.678 1.00 0.00 O ATOM 688 CB CYS A 46 28.268 23.872 25.505 1.00 0.00 C ATOM 689 SG CYS A 46 27.540 23.361 23.926 1.00 0.00 S ATOM 0 H CYS A 46 30.392 23.155 24.589 1.00 0.00 H new ATOM 0 HA CYS A 46 29.241 25.678 24.787 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.580 22.977 26.043 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.490 24.347 26.102 1.00 0.00 H new ATOM 694 N TRP A 47 29.189 26.623 27.031 1.00 0.00 N ATOM 695 CA TRP A 47 29.307 27.479 28.210 1.00 0.00 C ATOM 696 C TRP A 47 27.954 28.164 28.464 1.00 0.00 C ATOM 697 O TRP A 47 27.202 28.416 27.523 1.00 0.00 O ATOM 698 CB TRP A 47 30.414 28.496 27.913 1.00 0.00 C ATOM 699 CG TRP A 47 30.682 29.551 28.937 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.943 30.671 29.105 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.784 29.656 29.895 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.500 31.448 30.096 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.632 30.871 30.626 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.909 28.860 30.209 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.528 31.270 31.627 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.817 29.249 31.214 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.625 30.445 31.928 1.00 0.00 C ATOM 0 H TRP A 47 28.589 27.048 26.324 1.00 0.00 H new ATOM 0 HA TRP A 47 29.563 26.916 29.108 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.340 27.945 27.749 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.169 28.994 26.975 1.00 0.00 H new ATOM 0 HD1 TRP A 47 29.052 30.918 28.547 1.00 0.00 H new ATOM 0 HE1 TRP A 47 30.119 32.344 30.401 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.075 27.939 29.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.378 32.198 32.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.668 28.623 31.438 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.319 30.729 32.706 1.00 0.00 H new ATOM 718 N CYS A 48 27.630 28.455 29.722 1.00 0.00 N ATOM 719 CA CYS A 48 26.281 28.798 30.172 1.00 0.00 C ATOM 720 C CYS A 48 26.208 30.164 30.877 1.00 0.00 C ATOM 721 O CYS A 48 27.183 30.640 31.464 1.00 0.00 O ATOM 722 CB CYS A 48 25.762 27.669 31.071 1.00 0.00 C ATOM 723 SG CYS A 48 25.910 25.989 30.393 1.00 0.00 S ATOM 0 H CYS A 48 28.316 28.459 30.477 1.00 0.00 H new ATOM 0 HA CYS A 48 25.642 28.897 29.294 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.300 27.707 32.018 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.712 27.860 31.293 1.00 0.00 H new ATOM 728 N THR A 49 25.027 30.784 30.833 1.00 0.00 N ATOM 729 CA THR A 49 24.724 32.125 31.374 1.00 0.00 C ATOM 730 C THR A 49 23.427 32.106 32.200 1.00 0.00 C ATOM 731 O THR A 49 22.754 31.074 32.259 1.00 0.00 O ATOM 732 CB THR A 49 24.648 33.169 30.241 1.00 0.00 C ATOM 733 OG1 THR A 49 23.535 32.927 29.420 1.00 0.00 O ATOM 734 CG2 THR A 49 25.869 33.168 29.318 1.00 0.00 C ATOM 0 H THR A 49 24.212 30.350 30.400 1.00 0.00 H new ATOM 0 HA THR A 49 25.537 32.413 32.040 1.00 0.00 H new ATOM 0 HB THR A 49 24.587 34.129 30.753 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.501 33.599 28.708 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.743 33.928 28.547 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.765 33.386 29.899 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.970 32.189 28.849 1.00 0.00 H new ATOM 742 N HIS A 50 23.061 33.214 32.861 1.00 0.00 N ATOM 743 CA HIS A 50 21.902 33.298 33.778 1.00 0.00 C ATOM 744 C HIS A 50 21.910 32.216 34.879 1.00 0.00 C ATOM 745 O HIS A 50 20.891 31.580 35.165 1.00 0.00 O ATOM 746 CB HIS A 50 20.570 33.345 33.005 1.00 0.00 C ATOM 747 CG HIS A 50 20.433 34.485 32.032 1.00 0.00 C ATOM 748 ND1 HIS A 50 19.943 35.760 32.336 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.689 34.415 30.696 1.00 0.00 C ATOM 750 CE1 HIS A 50 19.924 36.428 31.169 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.370 35.645 30.173 1.00 0.00 N ATOM 0 H HIS A 50 23.567 34.095 32.776 1.00 0.00 H new ATOM 0 HA HIS A 50 22.001 34.245 34.309 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.451 32.408 32.461 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.753 33.402 33.724 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.068 33.561 30.154 1.00 0.00 H new ATOM 0 HE1 HIS A 50 19.596 37.450 31.049 1.00 0.00 H new ATOM 0 HE2 HIS A 50 20.457 35.917 29.194 1.00 0.00 H new ATOM 759 N LEU A 51 23.079 31.971 35.478 1.00 0.00 N ATOM 760 CA LEU A 51 23.271 30.951 36.518 1.00 0.00 C ATOM 761 C LEU A 51 22.926 31.466 37.931 1.00 0.00 C ATOM 762 O LEU A 51 22.861 32.678 38.170 1.00 0.00 O ATOM 763 CB LEU A 51 24.697 30.377 36.421 1.00 0.00 C ATOM 764 CG LEU A 51 25.081 29.807 35.039 1.00 0.00 C ATOM 765 CD1 LEU A 51 26.483 29.202 35.114 1.00 0.00 C ATOM 766 CD2 LEU A 51 24.121 28.717 34.560 1.00 0.00 C ATOM 0 H LEU A 51 23.932 32.482 35.252 1.00 0.00 H new ATOM 0 HA LEU A 51 22.564 30.141 36.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 25.406 31.162 36.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.806 29.588 37.165 1.00 0.00 H new ATOM 0 HG LEU A 51 25.036 30.635 34.332 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.758 28.798 34.139 1.00 0.00 H new ATOM 0 HD12 LEU A 51 27.197 29.973 35.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.495 28.402 35.854 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.441 28.354 33.583 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.123 27.892 35.272 1.00 0.00 H new ATOM 0 HD23 LEU A 51 23.114 29.127 34.483 1.00 0.00 H new ATOM 778 N TYR A 52 22.724 30.540 38.871 1.00 0.00 N ATOM 779 CA TYR A 52 22.311 30.787 40.261 1.00 0.00 C ATOM 780 C TYR A 52 23.205 30.047 41.286 1.00 0.00 C ATOM 781 O TYR A 52 24.015 29.183 40.944 1.00 0.00 O ATOM 782 CB TYR A 52 20.822 30.414 40.407 1.00 0.00 C ATOM 783 CG TYR A 52 19.840 31.411 39.804 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.566 31.408 38.422 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.168 32.324 40.639 1.00 0.00 C ATOM 786 CE1 TYR A 52 18.635 32.313 37.873 1.00 0.00 C ATOM 787 CE2 TYR A 52 18.235 33.229 40.097 1.00 0.00 C ATOM 788 CZ TYR A 52 17.961 33.224 38.713 1.00 0.00 C ATOM 789 OH TYR A 52 17.048 34.096 38.210 1.00 0.00 O ATOM 0 H TYR A 52 22.849 29.546 38.677 1.00 0.00 H new ATOM 0 HA TYR A 52 22.439 31.846 40.486 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.660 29.442 39.941 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.595 30.301 41.467 1.00 0.00 H new ATOM 0 HD1 TYR A 52 20.074 30.706 37.777 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.369 32.330 41.700 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.438 32.309 36.811 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.727 33.930 40.743 1.00 0.00 H new ATOM 0 HH TYR A 52 16.685 34.645 38.936 1.00 0.00 H new ATOM 799 N GLU A 53 23.080 30.408 42.566 1.00 0.00 N ATOM 800 CA GLU A 53 23.987 30.022 43.669 1.00 0.00 C ATOM 801 C GLU A 53 24.061 28.529 44.041 1.00 0.00 C ATOM 802 O GLU A 53 24.898 28.168 44.873 1.00 0.00 O ATOM 803 CB GLU A 53 23.635 30.840 44.924 1.00 0.00 C ATOM 804 CG GLU A 53 22.250 30.481 45.489 1.00 0.00 C ATOM 805 CD GLU A 53 21.705 31.600 46.371 1.00 0.00 C ATOM 806 OE1 GLU A 53 21.364 32.674 45.820 1.00 0.00 O ATOM 807 OE2 GLU A 53 21.540 31.410 47.599 1.00 0.00 O ATOM 0 H GLU A 53 22.314 31.002 42.883 1.00 0.00 H new ATOM 0 HA GLU A 53 24.981 30.243 43.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.392 30.669 45.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.661 31.902 44.681 1.00 0.00 H new ATOM 0 HG2 GLU A 53 21.558 30.292 44.668 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.318 29.560 46.067 1.00 0.00 H new ATOM 814 N GLN A 54 23.229 27.656 43.466 1.00 0.00 N ATOM 815 CA GLN A 54 23.288 26.198 43.675 1.00 0.00 C ATOM 816 C GLN A 54 23.845 25.421 42.467 1.00 0.00 C ATOM 817 O GLN A 54 23.878 24.189 42.501 1.00 0.00 O ATOM 818 CB GLN A 54 21.943 25.645 44.194 1.00 0.00 C ATOM 819 CG GLN A 54 20.809 25.557 43.159 1.00 0.00 C ATOM 820 CD GLN A 54 20.342 26.926 42.697 1.00 0.00 C ATOM 821 OE1 GLN A 54 20.805 27.447 41.695 1.00 0.00 O ATOM 822 NE2 GLN A 54 19.462 27.571 43.431 1.00 0.00 N ATOM 0 H GLN A 54 22.483 27.942 42.832 1.00 0.00 H new ATOM 0 HA GLN A 54 24.022 26.029 44.463 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.115 24.649 44.602 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.608 26.274 45.019 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.150 24.982 42.298 1.00 0.00 H new ATOM 0 HG3 GLN A 54 19.967 25.015 43.591 1.00 0.00 H new ATOM 0 HE21 GLN A 54 19.077 27.133 44.268 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.165 28.509 43.164 1.00 0.00 H new ATOM 831 N ALA A 55 24.300 26.110 41.414 1.00 0.00 N ATOM 832 CA ALA A 55 24.842 25.478 40.212 1.00 0.00 C ATOM 833 C ALA A 55 26.086 24.610 40.503 1.00 0.00 C ATOM 834 O ALA A 55 26.955 24.986 41.299 1.00 0.00 O ATOM 835 CB ALA A 55 25.133 26.563 39.167 1.00 0.00 C ATOM 0 H ALA A 55 24.301 27.129 41.375 1.00 0.00 H new ATOM 0 HA ALA A 55 24.096 24.788 39.818 1.00 0.00 H new ATOM 0 HB1 ALA A 55 25.538 26.101 38.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 24.210 27.089 38.922 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.858 27.271 39.569 1.00 0.00 H new ATOM 841 N VAL A 56 26.208 23.462 39.830 1.00 0.00 N ATOM 842 CA VAL A 56 27.308 22.480 39.998 1.00 0.00 C ATOM 843 C VAL A 56 28.573 22.797 39.159 1.00 0.00 C ATOM 844 O VAL A 56 29.332 21.908 38.769 1.00 0.00 O ATOM 845 CB VAL A 56 26.740 21.045 39.866 1.00 0.00 C ATOM 846 CG1 VAL A 56 26.332 20.661 38.438 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.654 19.960 40.444 1.00 0.00 C ATOM 0 H VAL A 56 25.527 23.172 39.128 1.00 0.00 H new ATOM 0 HA VAL A 56 27.707 22.562 41.009 1.00 0.00 H new ATOM 0 HB VAL A 56 25.836 21.087 40.473 1.00 0.00 H new ATOM 0 HG11 VAL A 56 25.945 19.642 38.432 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.560 21.345 38.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 27.201 20.723 37.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.187 18.984 40.314 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.612 19.976 39.924 1.00 0.00 H new ATOM 0 HG23 VAL A 56 27.814 20.147 41.506 1.00 0.00 H new ATOM 857 N VAL A 57 28.809 24.084 38.871 1.00 0.00 N ATOM 858 CA VAL A 57 29.877 24.581 37.977 1.00 0.00 C ATOM 859 C VAL A 57 31.306 24.247 38.435 1.00 0.00 C ATOM 860 O VAL A 57 31.614 24.189 39.631 1.00 0.00 O ATOM 861 CB VAL A 57 29.770 26.104 37.721 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.567 26.452 36.842 1.00 0.00 C ATOM 863 CG2 VAL A 57 29.685 26.936 39.006 1.00 0.00 C ATOM 0 H VAL A 57 28.245 24.838 39.265 1.00 0.00 H new ATOM 0 HA VAL A 57 29.703 24.038 37.048 1.00 0.00 H new ATOM 0 HB VAL A 57 30.696 26.360 37.207 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.529 27.530 36.687 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.663 25.950 35.879 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.651 26.124 37.333 1.00 0.00 H new ATOM 0 HG21 VAL A 57 29.612 27.993 38.751 1.00 0.00 H new ATOM 0 HG22 VAL A 57 28.804 26.638 39.575 1.00 0.00 H new ATOM 0 HG23 VAL A 57 30.578 26.769 39.608 1.00 0.00 H new ATOM 873 N TRP A 58 32.196 24.085 37.452 1.00 0.00 N ATOM 874 CA TRP A 58 33.633 23.823 37.592 1.00 0.00 C ATOM 875 C TRP A 58 34.440 24.939 36.897 1.00 0.00 C ATOM 876 O TRP A 58 34.118 25.270 35.752 1.00 0.00 O ATOM 877 CB TRP A 58 33.919 22.451 36.966 1.00 0.00 C ATOM 878 CG TRP A 58 35.316 21.924 37.038 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.918 21.476 38.161 1.00 0.00 C ATOM 880 CD2 TRP A 58 36.260 21.662 35.949 1.00 0.00 C ATOM 881 NE1 TRP A 58 37.157 20.961 37.847 1.00 0.00 N ATOM 882 CE2 TRP A 58 37.414 21.025 36.497 1.00 0.00 C ATOM 883 CE3 TRP A 58 36.247 21.857 34.549 1.00 0.00 C ATOM 884 CZ2 TRP A 58 38.487 20.590 35.704 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.318 21.420 33.743 1.00 0.00 C ATOM 886 CH2 TRP A 58 38.432 20.779 34.314 1.00 0.00 C ATOM 0 H TRP A 58 31.915 24.137 36.473 1.00 0.00 H new ATOM 0 HA TRP A 58 33.930 23.814 38.641 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.263 21.723 37.443 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.633 22.497 35.915 1.00 0.00 H new ATOM 0 HD1 TRP A 58 35.493 21.515 39.153 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.806 20.578 38.534 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.403 22.349 34.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 39.345 20.116 36.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.283 21.579 32.675 1.00 0.00 H new ATOM 0 HH2 TRP A 58 39.241 20.434 33.687 1.00 0.00 H new ATOM 897 N PRO A 59 35.449 25.556 37.543 1.00 0.00 N ATOM 898 CA PRO A 59 36.176 26.694 36.980 1.00 0.00 C ATOM 899 C PRO A 59 37.205 26.284 35.912 1.00 0.00 C ATOM 900 O PRO A 59 38.110 25.471 36.152 1.00 0.00 O ATOM 901 CB PRO A 59 36.804 27.417 38.173 1.00 0.00 C ATOM 902 CG PRO A 59 36.951 26.330 39.234 1.00 0.00 C ATOM 903 CD PRO A 59 35.817 25.354 38.933 1.00 0.00 C ATOM 0 HA PRO A 59 35.502 27.355 36.436 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.769 27.852 37.912 1.00 0.00 H new ATOM 0 HB3 PRO A 59 36.171 28.232 38.523 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.923 25.842 39.171 1.00 0.00 H new ATOM 0 HG3 PRO A 59 36.865 26.741 40.240 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.136 24.326 39.103 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.966 25.536 39.589 1.00 0.00 H new ATOM 911 N LEU A 60 37.068 26.895 34.731 1.00 0.00 N ATOM 912 CA LEU A 60 37.885 26.674 33.529 1.00 0.00 C ATOM 913 C LEU A 60 38.108 28.014 32.772 1.00 0.00 C ATOM 914 O LEU A 60 37.580 28.196 31.671 1.00 0.00 O ATOM 915 CB LEU A 60 37.167 25.588 32.692 1.00 0.00 C ATOM 916 CG LEU A 60 37.920 25.094 31.442 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.198 24.332 31.792 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.018 24.175 30.619 1.00 0.00 C ATOM 0 H LEU A 60 36.344 27.597 34.577 1.00 0.00 H new ATOM 0 HA LEU A 60 38.887 26.319 33.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.971 24.731 33.336 1.00 0.00 H new ATOM 0 HB3 LEU A 60 36.199 25.979 32.378 1.00 0.00 H new ATOM 0 HG LEU A 60 38.196 25.980 30.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.690 24.006 30.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.869 24.984 32.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 38.948 23.462 32.399 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.558 23.830 29.737 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.724 23.317 31.223 1.00 0.00 H new ATOM 0 HD23 LEU A 60 36.128 24.722 30.309 1.00 0.00 H new ATOM 930 N PRO A 61 38.820 29.001 33.356 1.00 0.00 N ATOM 931 CA PRO A 61 38.840 30.384 32.857 1.00 0.00 C ATOM 932 C PRO A 61 39.638 30.633 31.560 1.00 0.00 C ATOM 933 O PRO A 61 39.379 31.641 30.891 1.00 0.00 O ATOM 934 CB PRO A 61 39.404 31.215 34.018 1.00 0.00 C ATOM 935 CG PRO A 61 40.282 30.224 34.779 1.00 0.00 C ATOM 936 CD PRO A 61 39.486 28.929 34.653 1.00 0.00 C ATOM 0 HA PRO A 61 37.828 30.660 32.561 1.00 0.00 H new ATOM 0 HB2 PRO A 61 39.981 32.067 33.658 1.00 0.00 H new ATOM 0 HB3 PRO A 61 38.609 31.613 34.649 1.00 0.00 H new ATOM 0 HG2 PRO A 61 41.275 30.137 34.338 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.420 30.518 35.820 1.00 0.00 H new ATOM 0 HD2 PRO A 61 40.141 28.060 34.709 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.761 28.835 35.461 1.00 0.00 H new ATOM 944 N ASN A 62 40.603 29.773 31.200 1.00 0.00 N ATOM 945 CA ASN A 62 41.522 30.003 30.068 1.00 0.00 C ATOM 946 C ASN A 62 41.765 28.772 29.168 1.00 0.00 C ATOM 947 O ASN A 62 41.997 28.932 27.966 1.00 0.00 O ATOM 948 CB ASN A 62 42.853 30.522 30.655 1.00 0.00 C ATOM 949 CG ASN A 62 43.774 31.184 29.639 1.00 0.00 C ATOM 950 OD1 ASN A 62 43.379 31.608 28.559 1.00 0.00 O ATOM 951 ND2 ASN A 62 45.035 31.336 29.958 1.00 0.00 N ATOM 0 H ASN A 62 40.771 28.893 31.687 1.00 0.00 H new ATOM 0 HA ASN A 62 41.055 30.730 29.403 1.00 0.00 H new ATOM 0 HB2 ASN A 62 42.632 31.238 31.447 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.382 29.688 31.117 1.00 0.00 H new ATOM 0 HD21 ASN A 62 45.672 31.801 29.312 1.00 0.00 H new ATOM 0 HD22 ASN A 62 45.380 30.989 30.853 1.00 0.00 H new ATOM 958 N LYS A 63 41.745 27.555 29.728 1.00 0.00 N ATOM 959 CA LYS A 63 42.071 26.305 29.013 1.00 0.00 C ATOM 960 C LYS A 63 40.851 25.601 28.414 1.00 0.00 C ATOM 961 O LYS A 63 39.716 25.848 28.819 1.00 0.00 O ATOM 962 CB LYS A 63 42.842 25.345 29.943 1.00 0.00 C ATOM 963 CG LYS A 63 44.155 25.901 30.519 1.00 0.00 C ATOM 964 CD LYS A 63 45.137 26.454 29.481 1.00 0.00 C ATOM 965 CE LYS A 63 45.630 25.375 28.509 1.00 0.00 C ATOM 966 NZ LYS A 63 46.285 26.009 27.346 1.00 0.00 N ATOM 0 H LYS A 63 41.498 27.405 30.706 1.00 0.00 H new ATOM 0 HA LYS A 63 42.699 26.591 28.169 1.00 0.00 H new ATOM 0 HB2 LYS A 63 42.190 25.066 30.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.064 24.432 29.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 43.916 26.693 31.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.651 25.110 31.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.655 27.253 28.918 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.992 26.896 29.993 1.00 0.00 H new ATOM 0 HE2 LYS A 63 46.330 24.710 29.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.792 24.762 28.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 46.617 25.273 26.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 45.605 26.626 26.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 47.095 26.575 27.670 1.00 0.00 H new ATOM 980 N THR A 64 41.098 24.655 27.510 1.00 0.00 N ATOM 981 CA THR A 64 40.180 23.540 27.229 1.00 0.00 C ATOM 982 C THR A 64 40.175 22.534 28.387 1.00 0.00 C ATOM 983 O THR A 64 41.160 22.427 29.122 1.00 0.00 O ATOM 984 CB THR A 64 40.557 22.827 25.919 1.00 0.00 C ATOM 985 OG1 THR A 64 41.946 22.574 25.827 1.00 0.00 O ATOM 986 CG2 THR A 64 40.166 23.666 24.703 1.00 0.00 C ATOM 0 H THR A 64 41.947 24.636 26.944 1.00 0.00 H new ATOM 0 HA THR A 64 39.179 23.958 27.120 1.00 0.00 H new ATOM 0 HB THR A 64 40.012 21.883 25.929 1.00 0.00 H new ATOM 0 HG1 THR A 64 42.166 21.766 26.336 1.00 0.00 H new ATOM 0 HG21 THR A 64 40.444 23.137 23.791 1.00 0.00 H new ATOM 0 HG22 THR A 64 39.089 23.836 24.709 1.00 0.00 H new ATOM 0 HG23 THR A 64 40.685 24.624 24.740 1.00 0.00 H new ATOM 994 N CYS A 65 39.095 21.767 28.569 1.00 0.00 N ATOM 995 CA CYS A 65 39.015 20.763 29.643 1.00 0.00 C ATOM 996 C CYS A 65 40.070 19.643 29.477 1.00 0.00 C ATOM 997 O CYS A 65 40.722 19.246 30.449 1.00 0.00 O ATOM 998 CB CYS A 65 37.575 20.231 29.736 1.00 0.00 C ATOM 999 SG CYS A 65 37.346 18.936 30.989 1.00 0.00 S ATOM 0 H CYS A 65 38.260 21.820 27.986 1.00 0.00 H new ATOM 0 HA CYS A 65 39.260 21.238 30.593 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.905 21.061 29.960 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.280 19.837 28.763 1.00 0.00 H new ATOM 1004 N ASN A 66 40.313 19.188 28.246 1.00 0.00 N ATOM 1005 CA ASN A 66 41.431 18.318 27.875 1.00 0.00 C ATOM 1006 C ASN A 66 42.708 19.135 27.574 1.00 0.00 C ATOM 1007 O ASN A 66 42.653 20.302 27.180 1.00 0.00 O ATOM 1008 CB ASN A 66 40.976 17.435 26.699 1.00 0.00 C ATOM 1009 CG ASN A 66 41.882 16.249 26.406 1.00 0.00 C ATOM 1010 OD1 ASN A 66 42.729 15.852 27.201 1.00 0.00 O ATOM 1011 ND2 ASN A 66 41.713 15.643 25.257 1.00 0.00 N ATOM 0 H ASN A 66 39.716 19.423 27.453 1.00 0.00 H new ATOM 0 HA ASN A 66 41.706 17.670 28.707 1.00 0.00 H new ATOM 0 HB2 ASN A 66 39.972 17.065 26.908 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.908 18.053 25.804 1.00 0.00 H new ATOM 0 HD21 ASN A 66 42.287 14.835 25.017 1.00 0.00 H new ATOM 0 HD22 ASN A 66 41.007 15.979 24.602 1.00 0.00 H new