USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 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 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 32 GLN : amide:sc= 1.1 K(o=1.1,f=-0.56) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 SER OG : rot -175:sc= 1.55 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 10 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 LYS N :NH3+ -164:sc= 1.27 (180deg=0.972) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 0.849 (180deg=0.847) USER MOD Single : A 14 TYR OH : rot -56:sc= 0.0181 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0479) USER MOD Single : A 22 ASN : amide:sc= 0.147 K(o=0.15,f=-4.3!) 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=-0.33) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -59: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= -0.149 X(o=-0.15,f=-0.2) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,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 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.610 33.000 38.865 1.00 0.00 N ATOM 2 CA LYS A 1 26.077 33.662 37.651 1.00 0.00 C ATOM 3 C LYS A 1 26.291 32.846 36.367 1.00 0.00 C ATOM 4 O LYS A 1 25.308 32.586 35.679 1.00 0.00 O ATOM 5 CB LYS A 1 26.635 35.088 37.501 1.00 0.00 C ATOM 6 CG LYS A 1 25.877 35.922 36.448 1.00 0.00 C ATOM 7 CD LYS A 1 26.725 37.076 35.893 1.00 0.00 C ATOM 8 CE LYS A 1 27.215 38.046 36.973 1.00 0.00 C ATOM 9 NZ LYS A 1 28.351 38.857 36.484 1.00 0.00 N ATOM 0 H1 LYS A 1 26.207 33.450 39.711 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.352 31.993 38.853 1.00 0.00 H new ATOM 0 H3 LYS A 1 27.646 33.092 38.884 1.00 0.00 H new ATOM 0 HA LYS A 1 24.998 33.726 37.794 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.584 35.596 38.464 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.688 35.033 37.225 1.00 0.00 H new ATOM 0 HG2 LYS A 1 25.570 35.273 35.628 1.00 0.00 H new ATOM 0 HG3 LYS A 1 24.968 36.325 36.894 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.586 36.664 35.368 1.00 0.00 H new ATOM 0 HD3 LYS A 1 26.138 37.628 35.159 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.399 38.702 37.274 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.518 37.487 37.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 28.663 39.505 37.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 29.137 38.230 36.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 28.053 39.407 35.654 1.00 0.00 H new ATOM 25 N GLU A 2 27.526 32.500 35.984 1.00 0.00 N ATOM 26 CA GLU A 2 27.855 31.884 34.680 1.00 0.00 C ATOM 27 C GLU A 2 29.156 31.045 34.687 1.00 0.00 C ATOM 28 O GLU A 2 29.994 31.173 35.590 1.00 0.00 O ATOM 29 CB GLU A 2 27.944 32.975 33.588 1.00 0.00 C ATOM 30 CG GLU A 2 29.089 33.982 33.790 1.00 0.00 C ATOM 31 CD GLU A 2 29.138 35.054 32.694 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.032 34.730 31.487 1.00 0.00 O ATOM 33 OE2 GLU A 2 29.302 36.253 33.029 1.00 0.00 O ATOM 0 H GLU A 2 28.344 32.640 36.578 1.00 0.00 H new ATOM 0 HA GLU A 2 27.044 31.188 34.464 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.067 32.493 32.618 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.000 33.518 33.556 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.974 34.466 34.760 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.038 33.447 33.811 1.00 0.00 H new ATOM 40 N GLY A 3 29.360 30.216 33.658 1.00 0.00 N ATOM 41 CA GLY A 3 30.628 29.512 33.410 1.00 0.00 C ATOM 42 C GLY A 3 30.536 28.351 32.414 1.00 0.00 C ATOM 43 O GLY A 3 29.464 28.065 31.878 1.00 0.00 O ATOM 0 H GLY A 3 28.642 30.011 32.964 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.360 30.231 33.042 1.00 0.00 H new ATOM 0 HA3 GLY A 3 31.006 29.129 34.358 1.00 0.00 H new ATOM 47 N TYR A 4 31.658 27.665 32.172 1.00 0.00 N ATOM 48 CA TYR A 4 31.727 26.475 31.324 1.00 0.00 C ATOM 49 C TYR A 4 30.893 25.306 31.884 1.00 0.00 C ATOM 50 O TYR A 4 30.960 24.993 33.075 1.00 0.00 O ATOM 51 CB TYR A 4 33.187 26.033 31.193 1.00 0.00 C ATOM 52 CG TYR A 4 34.161 27.022 30.577 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.148 27.259 29.188 1.00 0.00 C ATOM 54 CD2 TYR A 4 35.131 27.647 31.385 1.00 0.00 C ATOM 55 CE1 TYR A 4 35.099 28.128 28.614 1.00 0.00 C ATOM 56 CE2 TYR A 4 36.089 28.506 30.814 1.00 0.00 C ATOM 57 CZ TYR A 4 36.079 28.745 29.423 1.00 0.00 C ATOM 58 OH TYR A 4 37.001 29.571 28.863 1.00 0.00 O ATOM 0 H TYR A 4 32.560 27.928 32.569 1.00 0.00 H new ATOM 0 HA TYR A 4 31.313 26.740 30.351 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.552 25.775 32.187 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.211 25.120 30.598 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.411 26.776 28.564 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.140 27.466 32.450 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.078 28.322 27.552 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.830 28.981 31.439 1.00 0.00 H new ATOM 0 HH TYR A 4 37.600 29.912 29.559 1.00 0.00 H new ATOM 68 N LEU A 5 30.156 24.619 31.012 1.00 0.00 N ATOM 69 CA LEU A 5 29.346 23.441 31.341 1.00 0.00 C ATOM 70 C LEU A 5 30.229 22.273 31.827 1.00 0.00 C ATOM 71 O LEU A 5 31.220 21.944 31.177 1.00 0.00 O ATOM 72 CB LEU A 5 28.562 23.077 30.064 1.00 0.00 C ATOM 73 CG LEU A 5 27.631 21.857 30.162 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.379 22.111 31.001 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.167 21.493 28.753 1.00 0.00 C ATOM 0 H LEU A 5 30.103 24.873 30.026 1.00 0.00 H new ATOM 0 HA LEU A 5 28.660 23.653 32.162 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.965 23.941 29.771 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.278 22.898 29.262 1.00 0.00 H new ATOM 0 HG LEU A 5 28.201 21.063 30.644 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.769 21.208 31.027 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.670 22.381 32.016 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.804 22.925 30.559 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.505 20.629 28.800 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.632 22.337 28.317 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.033 21.253 28.135 1.00 0.00 H new ATOM 87 N VAL A 6 29.848 21.611 32.927 1.00 0.00 N ATOM 88 CA VAL A 6 30.549 20.428 33.476 1.00 0.00 C ATOM 89 C VAL A 6 29.710 19.153 33.352 1.00 0.00 C ATOM 90 O VAL A 6 28.482 19.196 33.442 1.00 0.00 O ATOM 91 CB VAL A 6 31.018 20.692 34.924 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.917 20.584 35.984 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.183 19.782 35.330 1.00 0.00 C ATOM 0 H VAL A 6 29.031 21.882 33.474 1.00 0.00 H new ATOM 0 HA VAL A 6 31.441 20.257 32.873 1.00 0.00 H new ATOM 0 HB VAL A 6 31.345 21.732 34.900 1.00 0.00 H new ATOM 0 HG11 VAL A 6 30.339 20.785 36.969 1.00 0.00 H new ATOM 0 HG12 VAL A 6 29.133 21.311 35.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.494 19.579 35.969 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.478 20.004 36.355 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.872 18.740 35.260 1.00 0.00 H new ATOM 0 HG23 VAL A 6 33.028 19.954 34.664 1.00 0.00 H new ATOM 103 N SER A 7 30.354 17.996 33.175 1.00 0.00 N ATOM 104 CA SER A 7 29.683 16.693 33.276 1.00 0.00 C ATOM 105 C SER A 7 29.470 16.298 34.742 1.00 0.00 C ATOM 106 O SER A 7 30.379 16.388 35.574 1.00 0.00 O ATOM 107 CB SER A 7 30.442 15.613 32.498 1.00 0.00 C ATOM 108 OG SER A 7 29.979 14.317 32.831 1.00 0.00 O ATOM 0 H SER A 7 31.349 17.934 32.959 1.00 0.00 H new ATOM 0 HA SER A 7 28.699 16.784 32.816 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.321 15.781 31.428 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.508 15.687 32.714 1.00 0.00 H new ATOM 0 HG SER A 7 30.529 13.646 32.375 1.00 0.00 H new ATOM 114 N LYS A 8 28.265 15.801 35.046 1.00 0.00 N ATOM 115 CA LYS A 8 27.835 15.319 36.373 1.00 0.00 C ATOM 116 C LYS A 8 28.209 13.852 36.635 1.00 0.00 C ATOM 117 O LYS A 8 27.790 13.285 37.645 1.00 0.00 O ATOM 118 CB LYS A 8 26.320 15.557 36.527 1.00 0.00 C ATOM 119 CG LYS A 8 25.974 17.054 36.604 1.00 0.00 C ATOM 120 CD LYS A 8 24.460 17.311 36.577 1.00 0.00 C ATOM 121 CE LYS A 8 23.659 16.595 37.674 1.00 0.00 C ATOM 122 NZ LYS A 8 24.059 17.010 39.035 1.00 0.00 N ATOM 0 H LYS A 8 27.528 15.718 34.346 1.00 0.00 H new ATOM 0 HA LYS A 8 28.374 15.889 37.129 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.795 15.107 35.684 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.965 15.056 37.428 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.394 17.474 37.518 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.442 17.575 35.769 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.287 18.384 36.664 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.072 17.004 35.606 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.597 16.798 37.534 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.794 15.518 37.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.488 16.497 39.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.065 16.793 39.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.906 18.033 39.145 1.00 0.00 H new ATOM 136 N SER A 9 28.966 13.234 35.730 1.00 0.00 N ATOM 137 CA SER A 9 29.281 11.797 35.738 1.00 0.00 C ATOM 138 C SER A 9 30.705 11.454 35.271 1.00 0.00 C ATOM 139 O SER A 9 31.190 10.361 35.573 1.00 0.00 O ATOM 140 CB SER A 9 28.259 11.087 34.842 1.00 0.00 C ATOM 141 OG SER A 9 28.248 11.683 33.555 1.00 0.00 O ATOM 0 H SER A 9 29.392 13.729 34.946 1.00 0.00 H new ATOM 0 HA SER A 9 29.228 11.460 36.773 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.508 10.029 34.760 1.00 0.00 H new ATOM 0 HB3 SER A 9 27.267 11.148 35.289 1.00 0.00 H new ATOM 0 HG SER A 9 27.594 11.224 32.987 1.00 0.00 H new ATOM 147 N THR A 10 31.368 12.366 34.544 1.00 0.00 N ATOM 148 CA THR A 10 32.687 12.171 33.900 1.00 0.00 C ATOM 149 C THR A 10 33.570 13.433 33.847 1.00 0.00 C ATOM 150 O THR A 10 34.638 13.401 33.232 1.00 0.00 O ATOM 151 CB THR A 10 32.525 11.649 32.458 1.00 0.00 C ATOM 152 OG1 THR A 10 31.710 12.523 31.703 1.00 0.00 O ATOM 153 CG2 THR A 10 31.884 10.267 32.382 1.00 0.00 C ATOM 0 H THR A 10 30.989 13.299 34.379 1.00 0.00 H new ATOM 0 HA THR A 10 33.190 11.443 34.536 1.00 0.00 H new ATOM 0 HB THR A 10 33.538 11.591 32.059 1.00 0.00 H new ATOM 0 HG1 THR A 10 31.618 12.178 30.790 1.00 0.00 H new ATOM 0 HG21 THR A 10 31.800 9.962 31.339 1.00 0.00 H new ATOM 0 HG22 THR A 10 32.502 9.549 32.922 1.00 0.00 H new ATOM 0 HG23 THR A 10 30.891 10.301 32.831 1.00 0.00 H new ATOM 161 N GLY A 11 33.151 14.553 34.452 1.00 0.00 N ATOM 162 CA GLY A 11 33.889 15.827 34.461 1.00 0.00 C ATOM 163 C GLY A 11 33.882 16.568 33.115 1.00 0.00 C ATOM 164 O GLY A 11 33.220 17.597 32.979 1.00 0.00 O ATOM 0 H GLY A 11 32.269 14.601 34.961 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.460 16.477 35.223 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.922 15.634 34.751 1.00 0.00 H new ATOM 168 N CYS A 12 34.570 16.030 32.105 1.00 0.00 N ATOM 169 CA CYS A 12 34.731 16.651 30.788 1.00 0.00 C ATOM 170 C CYS A 12 33.430 16.795 29.979 1.00 0.00 C ATOM 171 O CYS A 12 32.591 15.888 29.936 1.00 0.00 O ATOM 172 CB CYS A 12 35.724 15.840 29.945 1.00 0.00 C ATOM 173 SG CYS A 12 37.449 15.850 30.485 1.00 0.00 S ATOM 0 H CYS A 12 35.042 15.129 32.182 1.00 0.00 H new ATOM 0 HA CYS A 12 35.093 17.658 30.995 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.382 14.805 29.919 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.686 16.214 28.922 1.00 0.00 H new ATOM 178 N LYS A 13 33.344 17.887 29.209 1.00 0.00 N ATOM 179 CA LYS A 13 32.404 18.074 28.089 1.00 0.00 C ATOM 180 C LYS A 13 33.153 18.196 26.754 1.00 0.00 C ATOM 181 O LYS A 13 34.369 18.408 26.720 1.00 0.00 O ATOM 182 CB LYS A 13 31.484 19.279 28.367 1.00 0.00 C ATOM 183 CG LYS A 13 30.587 19.105 29.608 1.00 0.00 C ATOM 184 CD LYS A 13 29.553 17.968 29.531 1.00 0.00 C ATOM 185 CE LYS A 13 28.519 18.232 28.435 1.00 0.00 C ATOM 186 NZ LYS A 13 27.496 17.165 28.357 1.00 0.00 N ATOM 0 H LYS A 13 33.948 18.696 29.352 1.00 0.00 H new ATOM 0 HA LYS A 13 31.769 17.192 28.004 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.098 20.170 28.496 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.853 19.451 27.495 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.226 18.932 30.474 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.058 20.041 29.785 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.061 17.024 29.335 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.049 17.865 30.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.030 19.188 28.623 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.026 18.317 27.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.809 17.397 27.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.956 16.259 28.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.004 17.088 29.270 1.00 0.00 H new ATOM 200 N TYR A 14 32.439 18.014 25.648 1.00 0.00 N ATOM 201 CA TYR A 14 33.024 17.900 24.309 1.00 0.00 C ATOM 202 C TYR A 14 32.680 19.083 23.404 1.00 0.00 C ATOM 203 O TYR A 14 31.756 19.856 23.657 1.00 0.00 O ATOM 204 CB TYR A 14 32.666 16.548 23.679 1.00 0.00 C ATOM 205 CG TYR A 14 33.014 15.327 24.517 1.00 0.00 C ATOM 206 CD1 TYR A 14 34.241 15.247 25.213 1.00 0.00 C ATOM 207 CD2 TYR A 14 32.108 14.253 24.581 1.00 0.00 C ATOM 208 CE1 TYR A 14 34.548 14.112 25.985 1.00 0.00 C ATOM 209 CE2 TYR A 14 32.420 13.110 25.338 1.00 0.00 C ATOM 210 CZ TYR A 14 33.638 13.037 26.042 1.00 0.00 C ATOM 211 OH TYR A 14 33.925 11.936 26.779 1.00 0.00 O ATOM 0 H TYR A 14 31.422 17.940 25.653 1.00 0.00 H new ATOM 0 HA TYR A 14 34.108 17.938 24.422 1.00 0.00 H new ATOM 0 HB2 TYR A 14 31.596 16.534 23.473 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.176 16.467 22.719 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.947 16.062 25.152 1.00 0.00 H new ATOM 0 HD2 TYR A 14 31.171 14.306 24.047 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.478 14.064 26.532 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.724 12.285 25.380 1.00 0.00 H new ATOM 0 HH TYR A 14 34.780 11.559 26.484 1.00 0.00 H new ATOM 221 N GLU A 15 33.492 19.254 22.367 1.00 0.00 N ATOM 222 CA GLU A 15 33.609 20.512 21.633 1.00 0.00 C ATOM 223 C GLU A 15 32.360 20.884 20.830 1.00 0.00 C ATOM 224 O GLU A 15 31.638 20.023 20.312 1.00 0.00 O ATOM 225 CB GLU A 15 34.824 20.495 20.691 1.00 0.00 C ATOM 226 CG GLU A 15 36.154 20.188 21.385 1.00 0.00 C ATOM 227 CD GLU A 15 36.389 18.683 21.564 1.00 0.00 C ATOM 228 OE1 GLU A 15 36.841 18.019 20.601 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.097 18.139 22.657 1.00 0.00 O ATOM 0 H GLU A 15 34.096 18.515 22.007 1.00 0.00 H new ATOM 0 HA GLU A 15 33.737 21.274 22.402 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.654 19.752 19.911 1.00 0.00 H new ATOM 0 HB3 GLU A 15 34.900 21.464 20.197 1.00 0.00 H new ATOM 0 HG2 GLU A 15 36.971 20.613 20.802 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.172 20.674 22.361 1.00 0.00 H new ATOM 236 N CYS A 16 32.140 22.189 20.686 1.00 0.00 N ATOM 237 CA CYS A 16 31.065 22.737 19.869 1.00 0.00 C ATOM 238 C CYS A 16 31.454 22.860 18.386 1.00 0.00 C ATOM 239 O CYS A 16 32.635 23.005 18.044 1.00 0.00 O ATOM 240 CB CYS A 16 30.613 24.064 20.480 1.00 0.00 C ATOM 241 SG CYS A 16 31.770 25.438 20.268 1.00 0.00 S ATOM 0 H CYS A 16 32.711 22.902 21.140 1.00 0.00 H new ATOM 0 HA CYS A 16 30.223 22.045 19.874 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.657 24.343 20.038 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.440 23.916 21.546 1.00 0.00 H new ATOM 246 N LEU A 17 30.456 22.831 17.501 1.00 0.00 N ATOM 247 CA LEU A 17 30.634 22.962 16.053 1.00 0.00 C ATOM 248 C LEU A 17 30.886 24.424 15.660 1.00 0.00 C ATOM 249 O LEU A 17 31.857 24.720 14.960 1.00 0.00 O ATOM 250 CB LEU A 17 29.405 22.348 15.359 1.00 0.00 C ATOM 251 CG LEU A 17 29.432 22.402 13.820 1.00 0.00 C ATOM 252 CD1 LEU A 17 30.657 21.712 13.217 1.00 0.00 C ATOM 253 CD2 LEU A 17 28.184 21.706 13.283 1.00 0.00 C ATOM 0 H LEU A 17 29.481 22.713 17.776 1.00 0.00 H new ATOM 0 HA LEU A 17 31.519 22.418 15.723 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.313 21.307 15.669 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.512 22.865 15.710 1.00 0.00 H new ATOM 0 HG LEU A 17 29.470 23.454 13.537 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.617 21.785 12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 17 31.563 22.197 13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.665 20.662 13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.190 21.737 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.174 20.668 13.616 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.295 22.215 13.655 1.00 0.00 H new ATOM 265 N LYS A 18 30.059 25.342 16.175 1.00 0.00 N ATOM 266 CA LYS A 18 30.202 26.798 16.027 1.00 0.00 C ATOM 267 C LYS A 18 30.424 27.480 17.377 1.00 0.00 C ATOM 268 O LYS A 18 29.752 27.136 18.356 1.00 0.00 O ATOM 269 CB LYS A 18 28.967 27.401 15.336 1.00 0.00 C ATOM 270 CG LYS A 18 28.612 26.813 13.963 1.00 0.00 C ATOM 271 CD LYS A 18 29.748 26.911 12.934 1.00 0.00 C ATOM 272 CE LYS A 18 29.277 26.557 11.517 1.00 0.00 C ATOM 273 NZ LYS A 18 28.435 27.627 10.932 1.00 0.00 N ATOM 0 H LYS A 18 29.241 25.083 16.727 1.00 0.00 H new ATOM 0 HA LYS A 18 31.080 26.975 15.405 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.108 27.276 15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.127 28.473 15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.336 25.766 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.735 27.330 13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 30.154 27.923 12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 18 30.558 26.241 13.224 1.00 0.00 H new ATOM 0 HE2 LYS A 18 30.144 26.387 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 18 28.713 25.625 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.249 27.414 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.533 27.680 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.931 28.538 11.006 1.00 0.00 H new ATOM 287 N LEU A 19 31.321 28.466 17.404 1.00 0.00 N ATOM 288 CA LEU A 19 31.540 29.368 18.541 1.00 0.00 C ATOM 289 C LEU A 19 30.487 30.492 18.564 1.00 0.00 C ATOM 290 O LEU A 19 29.815 30.763 17.563 1.00 0.00 O ATOM 291 CB LEU A 19 32.987 29.912 18.505 1.00 0.00 C ATOM 292 CG LEU A 19 34.026 28.976 19.157 1.00 0.00 C ATOM 293 CD1 LEU A 19 35.446 29.418 18.805 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.926 28.997 20.686 1.00 0.00 C ATOM 0 H LEU A 19 31.934 28.667 16.614 1.00 0.00 H new ATOM 0 HA LEU A 19 31.418 28.813 19.471 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.272 30.088 17.468 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.014 30.877 19.011 1.00 0.00 H new ATOM 0 HG LEU A 19 33.817 27.976 18.778 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.163 28.745 19.275 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.578 29.392 17.723 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.611 30.433 19.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.673 28.326 21.109 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.102 30.010 21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.932 28.670 20.990 1.00 0.00 H new ATOM 306 N GLY A 20 30.325 31.143 19.717 1.00 0.00 N ATOM 307 CA GLY A 20 29.233 32.093 19.943 1.00 0.00 C ATOM 308 C GLY A 20 27.911 31.373 20.224 1.00 0.00 C ATOM 309 O GLY A 20 27.906 30.316 20.855 1.00 0.00 O ATOM 0 H GLY A 20 30.945 31.028 20.519 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.481 32.741 20.784 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.121 32.734 19.069 1.00 0.00 H new ATOM 313 N ASP A 21 26.785 31.936 19.790 1.00 0.00 N ATOM 314 CA ASP A 21 25.455 31.373 20.050 1.00 0.00 C ATOM 315 C ASP A 21 25.271 30.028 19.322 1.00 0.00 C ATOM 316 O ASP A 21 25.539 29.922 18.123 1.00 0.00 O ATOM 317 CB ASP A 21 24.379 32.388 19.648 1.00 0.00 C ATOM 318 CG ASP A 21 23.001 31.916 20.096 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.636 32.142 21.274 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.287 31.270 19.295 1.00 0.00 O ATOM 0 H ASP A 21 26.766 32.799 19.246 1.00 0.00 H new ATOM 0 HA ASP A 21 25.356 31.171 21.117 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.600 33.357 20.095 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.388 32.526 18.567 1.00 0.00 H new ATOM 325 N ASN A 22 24.819 28.994 20.036 1.00 0.00 N ATOM 326 CA ASN A 22 24.839 27.610 19.563 1.00 0.00 C ATOM 327 C ASN A 22 23.624 26.833 20.096 1.00 0.00 C ATOM 328 O ASN A 22 23.482 26.618 21.303 1.00 0.00 O ATOM 329 CB ASN A 22 26.187 26.999 19.991 1.00 0.00 C ATOM 330 CG ASN A 22 26.389 25.571 19.519 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.543 24.698 19.666 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.533 25.271 18.957 1.00 0.00 N ATOM 0 H ASN A 22 24.424 29.097 20.971 1.00 0.00 H new ATOM 0 HA ASN A 22 24.758 27.559 18.477 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.996 27.618 19.603 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.259 27.026 21.078 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.714 24.317 18.646 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.244 25.992 18.830 1.00 0.00 H new ATOM 339 N ASP A 23 22.766 26.381 19.179 1.00 0.00 N ATOM 340 CA ASP A 23 21.470 25.771 19.493 1.00 0.00 C ATOM 341 C ASP A 23 21.575 24.481 20.329 1.00 0.00 C ATOM 342 O ASP A 23 20.671 24.211 21.122 1.00 0.00 O ATOM 343 CB ASP A 23 20.730 25.530 18.168 1.00 0.00 C ATOM 344 CG ASP A 23 19.275 25.086 18.337 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.454 25.870 18.872 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.914 23.970 17.894 1.00 0.00 O ATOM 0 H ASP A 23 22.955 26.429 18.178 1.00 0.00 H new ATOM 0 HA ASP A 23 20.911 26.458 20.128 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.753 26.447 17.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.266 24.772 17.597 1.00 0.00 H new ATOM 351 N TYR A 24 22.676 23.720 20.232 1.00 0.00 N ATOM 352 CA TYR A 24 22.897 22.557 21.100 1.00 0.00 C ATOM 353 C TYR A 24 23.343 22.970 22.508 1.00 0.00 C ATOM 354 O TYR A 24 22.794 22.468 23.489 1.00 0.00 O ATOM 355 CB TYR A 24 23.881 21.556 20.481 1.00 0.00 C ATOM 356 CG TYR A 24 23.981 20.267 21.282 1.00 0.00 C ATOM 357 CD1 TYR A 24 22.851 19.437 21.426 1.00 0.00 C ATOM 358 CD2 TYR A 24 25.187 19.910 21.915 1.00 0.00 C ATOM 359 CE1 TYR A 24 22.916 18.263 22.200 1.00 0.00 C ATOM 360 CE2 TYR A 24 25.261 18.733 22.684 1.00 0.00 C ATOM 361 CZ TYR A 24 24.124 17.910 22.836 1.00 0.00 C ATOM 362 OH TYR A 24 24.197 16.780 23.588 1.00 0.00 O ATOM 0 H TYR A 24 23.425 23.890 19.561 1.00 0.00 H new ATOM 0 HA TYR A 24 21.935 22.054 21.194 1.00 0.00 H new ATOM 0 HB2 TYR A 24 23.567 21.324 19.463 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.867 22.015 20.413 1.00 0.00 H new ATOM 0 HD1 TYR A 24 21.926 19.704 20.937 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.057 20.541 21.810 1.00 0.00 H new ATOM 0 HE1 TYR A 24 22.044 17.635 22.306 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.191 18.459 23.159 1.00 0.00 H new ATOM 0 HH TYR A 24 25.102 16.687 23.952 1.00 0.00 H new ATOM 372 N CYS A 25 24.264 23.935 22.636 1.00 0.00 N ATOM 373 CA CYS A 25 24.676 24.445 23.950 1.00 0.00 C ATOM 374 C CYS A 25 23.489 25.017 24.746 1.00 0.00 C ATOM 375 O CYS A 25 23.396 24.800 25.954 1.00 0.00 O ATOM 376 CB CYS A 25 25.783 25.497 23.806 1.00 0.00 C ATOM 377 SG CYS A 25 27.387 24.894 23.207 1.00 0.00 S ATOM 0 H CYS A 25 24.737 24.377 21.847 1.00 0.00 H new ATOM 0 HA CYS A 25 25.069 23.598 24.512 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.432 26.273 23.125 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.935 25.970 24.776 1.00 0.00 H new ATOM 382 N LEU A 26 22.536 25.676 24.075 1.00 0.00 N ATOM 383 CA LEU A 26 21.336 26.214 24.721 1.00 0.00 C ATOM 384 C LEU A 26 20.433 25.120 25.334 1.00 0.00 C ATOM 385 O LEU A 26 19.837 25.351 26.389 1.00 0.00 O ATOM 386 CB LEU A 26 20.600 27.098 23.694 1.00 0.00 C ATOM 387 CG LEU A 26 19.437 27.935 24.264 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.891 28.926 25.340 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.774 28.727 23.138 1.00 0.00 C ATOM 0 H LEU A 26 22.576 25.850 23.071 1.00 0.00 H new ATOM 0 HA LEU A 26 21.629 26.820 25.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.322 27.773 23.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.212 26.459 22.900 1.00 0.00 H new ATOM 0 HG LEU A 26 18.740 27.232 24.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.030 29.487 25.704 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.346 28.382 26.167 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.620 29.616 24.915 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.952 29.318 23.543 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.507 29.391 22.680 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.389 28.038 22.386 1.00 0.00 H new ATOM 401 N ARG A 27 20.358 23.914 24.743 1.00 0.00 N ATOM 402 CA ARG A 27 19.618 22.769 25.325 1.00 0.00 C ATOM 403 C ARG A 27 20.445 21.905 26.277 1.00 0.00 C ATOM 404 O ARG A 27 19.882 21.361 27.228 1.00 0.00 O ATOM 405 CB ARG A 27 18.878 21.951 24.253 1.00 0.00 C ATOM 406 CG ARG A 27 19.757 21.320 23.160 1.00 0.00 C ATOM 407 CD ARG A 27 18.970 20.352 22.257 1.00 0.00 C ATOM 408 NE ARG A 27 17.689 20.923 21.795 1.00 0.00 N ATOM 409 CZ ARG A 27 17.507 21.867 20.895 1.00 0.00 C ATOM 410 NH1 ARG A 27 18.451 22.261 20.090 1.00 0.00 N ATOM 411 NH2 ARG A 27 16.341 22.434 20.818 1.00 0.00 N ATOM 0 H ARG A 27 20.805 23.701 23.851 1.00 0.00 H new ATOM 0 HA ARG A 27 18.854 23.213 25.963 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.324 21.155 24.750 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.144 22.598 23.773 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.193 22.110 22.548 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.584 20.785 23.627 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.580 20.090 21.392 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.776 19.428 22.802 1.00 0.00 H new ATOM 0 HE ARG A 27 16.846 20.541 22.223 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.376 21.835 20.142 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.266 22.996 19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.591 22.146 21.446 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.175 23.168 20.129 1.00 0.00 H new ATOM 425 N GLU A 28 21.766 21.856 26.108 1.00 0.00 N ATOM 426 CA GLU A 28 22.694 21.290 27.097 1.00 0.00 C ATOM 427 C GLU A 28 22.623 22.041 28.436 1.00 0.00 C ATOM 428 O GLU A 28 22.566 21.399 29.487 1.00 0.00 O ATOM 429 CB GLU A 28 24.134 21.343 26.562 1.00 0.00 C ATOM 430 CG GLU A 28 24.520 20.200 25.615 1.00 0.00 C ATOM 431 CD GLU A 28 24.970 18.954 26.390 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.169 18.419 27.195 1.00 0.00 O ATOM 433 OE2 GLU A 28 26.133 18.509 26.241 1.00 0.00 O ATOM 0 H GLU A 28 22.231 22.211 25.272 1.00 0.00 H new ATOM 0 HA GLU A 28 22.399 20.255 27.268 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.277 22.290 26.041 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.820 21.339 27.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.669 19.948 24.982 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.323 20.529 24.955 1.00 0.00 H new ATOM 440 N CYS A 29 22.555 23.378 28.411 1.00 0.00 N ATOM 441 CA CYS A 29 22.328 24.189 29.609 1.00 0.00 C ATOM 442 C CYS A 29 20.913 23.983 30.179 1.00 0.00 C ATOM 443 O CYS A 29 20.768 23.825 31.393 1.00 0.00 O ATOM 444 CB CYS A 29 22.615 25.664 29.296 1.00 0.00 C ATOM 445 SG CYS A 29 24.345 26.012 28.870 1.00 0.00 S ATOM 0 H CYS A 29 22.656 23.927 27.557 1.00 0.00 H new ATOM 0 HA CYS A 29 23.018 23.862 30.387 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.979 25.979 28.469 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.337 26.268 30.160 1.00 0.00 H new ATOM 450 N LYS A 30 19.873 23.875 29.331 1.00 0.00 N ATOM 451 CA LYS A 30 18.498 23.572 29.780 1.00 0.00 C ATOM 452 C LYS A 30 18.398 22.229 30.522 1.00 0.00 C ATOM 453 O LYS A 30 17.642 22.135 31.488 1.00 0.00 O ATOM 454 CB LYS A 30 17.518 23.637 28.591 1.00 0.00 C ATOM 455 CG LYS A 30 16.058 23.789 29.054 1.00 0.00 C ATOM 456 CD LYS A 30 15.058 23.750 27.890 1.00 0.00 C ATOM 457 CE LYS A 30 13.631 23.984 28.408 1.00 0.00 C ATOM 458 NZ LYS A 30 12.649 24.082 27.303 1.00 0.00 N ATOM 0 H LYS A 30 19.959 23.994 28.322 1.00 0.00 H new ATOM 0 HA LYS A 30 18.217 24.337 30.504 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.784 24.476 27.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.616 22.732 27.991 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.820 22.992 29.758 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.948 24.732 29.590 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.315 24.512 27.154 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.115 22.786 27.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.348 23.168 29.073 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.605 24.900 28.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.699 24.240 27.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.903 24.877 26.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.654 23.198 26.754 1.00 0.00 H new ATOM 472 N GLN A 31 19.211 21.229 30.167 1.00 0.00 N ATOM 473 CA GLN A 31 19.248 19.941 30.876 1.00 0.00 C ATOM 474 C GLN A 31 19.704 20.080 32.345 1.00 0.00 C ATOM 475 O GLN A 31 19.173 19.382 33.205 1.00 0.00 O ATOM 476 CB GLN A 31 20.133 18.947 30.100 1.00 0.00 C ATOM 477 CG GLN A 31 19.970 17.508 30.624 1.00 0.00 C ATOM 478 CD GLN A 31 20.784 16.465 29.860 1.00 0.00 C ATOM 479 OE1 GLN A 31 21.690 16.758 29.086 1.00 0.00 O ATOM 480 NE2 GLN A 31 20.506 15.198 30.050 1.00 0.00 N ATOM 0 H GLN A 31 19.861 21.287 29.383 1.00 0.00 H new ATOM 0 HA GLN A 31 18.230 19.554 30.918 1.00 0.00 H new ATOM 0 HB2 GLN A 31 19.875 18.980 29.041 1.00 0.00 H new ATOM 0 HB3 GLN A 31 21.177 19.248 30.183 1.00 0.00 H new ATOM 0 HG2 GLN A 31 20.261 17.481 31.674 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.916 17.234 30.578 1.00 0.00 H new ATOM 0 HE21 GLN A 31 19.757 14.930 30.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.039 14.480 29.559 1.00 0.00 H new ATOM 489 N GLN A 32 20.634 20.996 32.653 1.00 0.00 N ATOM 490 CA GLN A 32 21.125 21.218 34.024 1.00 0.00 C ATOM 491 C GLN A 32 20.449 22.384 34.766 1.00 0.00 C ATOM 492 O GLN A 32 20.469 22.390 35.999 1.00 0.00 O ATOM 493 CB GLN A 32 22.654 21.414 34.020 1.00 0.00 C ATOM 494 CG GLN A 32 23.406 20.113 33.704 1.00 0.00 C ATOM 495 CD GLN A 32 24.915 20.189 33.944 1.00 0.00 C ATOM 496 OE1 GLN A 32 25.449 21.046 34.640 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.657 19.257 33.396 1.00 0.00 N ATOM 0 H GLN A 32 21.068 21.605 31.959 1.00 0.00 H new ATOM 0 HA GLN A 32 20.856 20.318 34.577 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.919 22.173 33.284 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.973 21.789 34.993 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.992 19.310 34.313 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.228 19.847 32.662 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.226 18.538 32.815 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.665 19.251 33.551 1.00 0.00 H new ATOM 506 N TYR A 33 19.891 23.374 34.061 1.00 0.00 N ATOM 507 CA TYR A 33 19.457 24.656 34.650 1.00 0.00 C ATOM 508 C TYR A 33 18.101 25.184 34.137 1.00 0.00 C ATOM 509 O TYR A 33 17.669 26.266 34.543 1.00 0.00 O ATOM 510 CB TYR A 33 20.573 25.691 34.441 1.00 0.00 C ATOM 511 CG TYR A 33 21.943 25.268 34.941 1.00 0.00 C ATOM 512 CD1 TYR A 33 22.169 25.114 36.323 1.00 0.00 C ATOM 513 CD2 TYR A 33 22.988 25.035 34.024 1.00 0.00 C ATOM 514 CE1 TYR A 33 23.436 24.718 36.790 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.261 24.651 34.490 1.00 0.00 C ATOM 516 CZ TYR A 33 24.485 24.491 35.872 1.00 0.00 C ATOM 517 OH TYR A 33 25.707 24.105 36.318 1.00 0.00 O ATOM 0 H TYR A 33 19.724 23.312 33.057 1.00 0.00 H new ATOM 0 HA TYR A 33 19.284 24.476 35.711 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.645 25.916 33.377 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.289 26.616 34.944 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.369 25.300 37.025 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.813 25.151 32.965 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.606 24.588 37.849 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.064 24.479 33.789 1.00 0.00 H new ATOM 0 HH TYR A 33 26.313 23.992 35.556 1.00 0.00 H new ATOM 527 N GLY A 34 17.417 24.430 33.269 1.00 0.00 N ATOM 528 CA GLY A 34 16.038 24.682 32.833 1.00 0.00 C ATOM 529 C GLY A 34 15.811 25.930 31.968 1.00 0.00 C ATOM 530 O GLY A 34 16.743 26.658 31.608 1.00 0.00 O ATOM 0 H GLY A 34 17.821 23.600 32.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.692 23.812 32.274 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.409 24.762 33.720 1.00 0.00 H new ATOM 534 N LYS A 35 14.542 26.173 31.615 1.00 0.00 N ATOM 535 CA LYS A 35 14.043 27.287 30.781 1.00 0.00 C ATOM 536 C LYS A 35 14.362 28.690 31.325 1.00 0.00 C ATOM 537 O LYS A 35 14.286 29.665 30.575 1.00 0.00 O ATOM 538 CB LYS A 35 12.527 27.092 30.556 1.00 0.00 C ATOM 539 CG LYS A 35 11.684 27.332 31.822 1.00 0.00 C ATOM 540 CD LYS A 35 10.229 26.860 31.690 1.00 0.00 C ATOM 541 CE LYS A 35 10.118 25.334 31.801 1.00 0.00 C ATOM 542 NZ LYS A 35 8.708 24.904 31.944 1.00 0.00 N ATOM 0 H LYS A 35 13.785 25.562 31.921 1.00 0.00 H new ATOM 0 HA LYS A 35 14.579 27.247 29.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.193 27.772 29.772 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.348 26.079 30.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.150 26.816 32.662 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.692 28.396 32.057 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.623 27.327 32.466 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.826 27.186 30.731 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.553 24.871 30.916 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.695 24.987 32.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.667 23.867 32.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.301 25.328 32.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.164 25.215 31.114 1.00 0.00 H new ATOM 556 N SER A 36 14.754 28.792 32.597 1.00 0.00 N ATOM 557 CA SER A 36 15.230 30.023 33.251 1.00 0.00 C ATOM 558 C SER A 36 16.650 30.443 32.831 1.00 0.00 C ATOM 559 O SER A 36 16.991 31.626 32.914 1.00 0.00 O ATOM 560 CB SER A 36 15.219 29.821 34.773 1.00 0.00 C ATOM 561 OG SER A 36 13.936 29.430 35.237 1.00 0.00 O ATOM 0 H SER A 36 14.750 27.991 33.228 1.00 0.00 H new ATOM 0 HA SER A 36 14.553 30.817 32.937 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.952 29.062 35.046 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.519 30.746 35.266 1.00 0.00 H new ATOM 0 HG SER A 36 13.963 29.308 36.209 1.00 0.00 H new ATOM 567 N SER A 37 17.477 29.493 32.383 1.00 0.00 N ATOM 568 CA SER A 37 18.896 29.695 32.036 1.00 0.00 C ATOM 569 C SER A 37 19.128 30.071 30.565 1.00 0.00 C ATOM 570 O SER A 37 18.240 29.911 29.719 1.00 0.00 O ATOM 571 CB SER A 37 19.702 28.443 32.400 1.00 0.00 C ATOM 572 OG SER A 37 19.359 27.349 31.566 1.00 0.00 O ATOM 0 H SER A 37 17.172 28.529 32.246 1.00 0.00 H new ATOM 0 HA SER A 37 19.240 30.549 32.620 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.767 28.654 32.307 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.519 28.180 33.442 1.00 0.00 H new ATOM 0 HG SER A 37 18.402 27.157 31.655 1.00 0.00 H new ATOM 578 N GLY A 38 20.333 30.547 30.248 1.00 0.00 N ATOM 579 CA GLY A 38 20.841 30.722 28.882 1.00 0.00 C ATOM 580 C GLY A 38 22.112 29.903 28.626 1.00 0.00 C ATOM 581 O GLY A 38 22.629 29.240 29.527 1.00 0.00 O ATOM 0 H GLY A 38 21.007 30.832 30.958 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.071 30.426 28.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.050 31.777 28.706 1.00 0.00 H new ATOM 585 N GLY A 39 22.632 29.954 27.395 1.00 0.00 N ATOM 586 CA GLY A 39 23.907 29.320 27.054 1.00 0.00 C ATOM 587 C GLY A 39 24.395 29.581 25.627 1.00 0.00 C ATOM 588 O GLY A 39 23.612 29.941 24.748 1.00 0.00 O ATOM 0 H GLY A 39 22.184 30.432 26.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.668 29.669 27.752 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.811 28.244 27.199 1.00 0.00 H new ATOM 592 N TYR A 40 25.701 29.414 25.413 1.00 0.00 N ATOM 593 CA TYR A 40 26.433 29.609 24.151 1.00 0.00 C ATOM 594 C TYR A 40 27.737 28.774 24.154 1.00 0.00 C ATOM 595 O TYR A 40 27.898 27.921 25.025 1.00 0.00 O ATOM 596 CB TYR A 40 26.668 31.119 23.941 1.00 0.00 C ATOM 597 CG TYR A 40 27.480 31.864 24.986 1.00 0.00 C ATOM 598 CD1 TYR A 40 26.831 32.446 26.092 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.860 32.081 24.796 1.00 0.00 C ATOM 600 CE1 TYR A 40 27.555 33.243 26.997 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.588 32.869 25.711 1.00 0.00 C ATOM 602 CZ TYR A 40 28.937 33.456 26.814 1.00 0.00 C ATOM 603 OH TYR A 40 29.618 34.288 27.646 1.00 0.00 O ATOM 0 H TYR A 40 26.322 29.119 26.166 1.00 0.00 H new ATOM 0 HA TYR A 40 25.850 29.249 23.303 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.162 31.250 22.978 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.694 31.602 23.868 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.775 32.280 26.246 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.362 31.642 23.946 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.049 33.695 27.838 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.647 33.023 25.566 1.00 0.00 H new ATOM 0 HH TYR A 40 30.560 34.319 27.378 1.00 0.00 H new ATOM 613 N CYS A 41 28.662 28.961 23.206 1.00 0.00 N ATOM 614 CA CYS A 41 29.986 28.315 23.200 1.00 0.00 C ATOM 615 C CYS A 41 31.151 29.322 23.292 1.00 0.00 C ATOM 616 O CYS A 41 31.148 30.359 22.615 1.00 0.00 O ATOM 617 CB CYS A 41 30.129 27.405 21.974 1.00 0.00 C ATOM 618 SG CYS A 41 31.643 26.409 22.039 1.00 0.00 S ATOM 0 H CYS A 41 28.512 29.576 22.406 1.00 0.00 H new ATOM 0 HA CYS A 41 30.048 27.705 24.101 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.264 26.745 21.909 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.134 28.013 21.070 1.00 0.00 H new ATOM 623 N TYR A 42 32.165 28.993 24.103 1.00 0.00 N ATOM 624 CA TYR A 42 33.347 29.822 24.377 1.00 0.00 C ATOM 625 C TYR A 42 34.630 28.969 24.441 1.00 0.00 C ATOM 626 O TYR A 42 34.600 27.841 24.936 1.00 0.00 O ATOM 627 CB TYR A 42 33.102 30.604 25.681 1.00 0.00 C ATOM 628 CG TYR A 42 34.023 31.793 25.903 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.729 33.035 25.307 1.00 0.00 C ATOM 630 CD2 TYR A 42 35.163 31.666 26.719 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.580 34.139 25.509 1.00 0.00 C ATOM 632 CE2 TYR A 42 36.011 32.772 26.934 1.00 0.00 C ATOM 633 CZ TYR A 42 35.724 34.014 26.326 1.00 0.00 C ATOM 634 OH TYR A 42 36.535 35.087 26.522 1.00 0.00 O ATOM 0 H TYR A 42 32.185 28.106 24.607 1.00 0.00 H new ATOM 0 HA TYR A 42 33.500 30.530 23.562 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.071 30.957 25.686 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.209 29.919 26.522 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.847 33.141 24.692 1.00 0.00 H new ATOM 0 HD2 TYR A 42 35.389 30.717 27.183 1.00 0.00 H new ATOM 0 HE1 TYR A 42 34.356 35.084 25.037 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.882 32.669 27.565 1.00 0.00 H new ATOM 0 HH TYR A 42 37.277 34.833 27.110 1.00 0.00 H new ATOM 644 N ALA A 43 35.755 29.502 23.943 1.00 0.00 N ATOM 645 CA ALA A 43 37.062 28.843 23.763 1.00 0.00 C ATOM 646 C ALA A 43 37.048 27.578 22.869 1.00 0.00 C ATOM 647 O ALA A 43 37.647 27.578 21.792 1.00 0.00 O ATOM 648 CB ALA A 43 37.732 28.625 25.129 1.00 0.00 C ATOM 0 H ALA A 43 35.780 30.473 23.633 1.00 0.00 H new ATOM 0 HA ALA A 43 37.678 29.529 23.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.697 28.138 24.987 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.880 29.587 25.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.095 27.995 25.750 1.00 0.00 H new ATOM 654 N PHE A 44 36.353 26.519 23.293 1.00 0.00 N ATOM 655 CA PHE A 44 35.984 25.354 22.472 1.00 0.00 C ATOM 656 C PHE A 44 34.736 24.579 22.965 1.00 0.00 C ATOM 657 O PHE A 44 34.311 23.643 22.285 1.00 0.00 O ATOM 658 CB PHE A 44 37.195 24.409 22.311 1.00 0.00 C ATOM 659 CG PHE A 44 37.837 23.872 23.583 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.272 22.774 24.260 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.047 24.425 24.051 1.00 0.00 C ATOM 662 CE1 PHE A 44 37.915 22.226 25.386 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.687 23.881 25.181 1.00 0.00 C ATOM 664 CZ PHE A 44 39.123 22.779 25.847 1.00 0.00 C ATOM 0 H PHE A 44 36.017 26.443 24.253 1.00 0.00 H new ATOM 0 HA PHE A 44 35.695 25.757 21.501 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.880 23.558 21.707 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.961 24.937 21.743 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.341 22.350 23.914 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.485 25.270 23.540 1.00 0.00 H new ATOM 0 HE1 PHE A 44 37.480 21.380 25.897 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.612 24.311 25.536 1.00 0.00 H new ATOM 0 HZ PHE A 44 39.616 22.358 26.711 1.00 0.00 H new ATOM 674 N ALA A 45 34.140 24.940 24.110 1.00 0.00 N ATOM 675 CA ALA A 45 33.093 24.167 24.793 1.00 0.00 C ATOM 676 C ALA A 45 31.889 25.032 25.219 1.00 0.00 C ATOM 677 O ALA A 45 31.962 26.265 25.240 1.00 0.00 O ATOM 678 CB ALA A 45 33.730 23.455 25.995 1.00 0.00 C ATOM 0 H ALA A 45 34.380 25.802 24.600 1.00 0.00 H new ATOM 0 HA ALA A 45 32.686 23.435 24.095 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.970 22.874 26.518 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.520 22.790 25.647 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.152 24.195 26.674 1.00 0.00 H new ATOM 684 N CYS A 46 30.765 24.392 25.553 1.00 0.00 N ATOM 685 CA CYS A 46 29.553 25.093 25.971 1.00 0.00 C ATOM 686 C CYS A 46 29.715 25.861 27.306 1.00 0.00 C ATOM 687 O CYS A 46 30.403 25.425 28.231 1.00 0.00 O ATOM 688 CB CYS A 46 28.392 24.097 26.029 1.00 0.00 C ATOM 689 SG CYS A 46 27.874 23.348 24.453 1.00 0.00 S ATOM 0 H CYS A 46 30.672 23.376 25.541 1.00 0.00 H new ATOM 0 HA CYS A 46 29.340 25.861 25.228 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.667 23.294 26.713 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.531 24.604 26.463 1.00 0.00 H new ATOM 694 N TRP A 47 29.026 26.997 27.409 1.00 0.00 N ATOM 695 CA TRP A 47 29.010 27.948 28.525 1.00 0.00 C ATOM 696 C TRP A 47 27.555 28.287 28.873 1.00 0.00 C ATOM 697 O TRP A 47 26.766 28.557 27.966 1.00 0.00 O ATOM 698 CB TRP A 47 29.788 29.201 28.088 1.00 0.00 C ATOM 699 CG TRP A 47 29.946 30.319 29.081 1.00 0.00 C ATOM 700 CD1 TRP A 47 28.967 31.147 29.515 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.172 30.811 29.704 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.498 32.099 30.368 1.00 0.00 N ATOM 703 CE2 TRP A 47 30.854 31.940 30.515 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.531 30.437 29.640 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.829 32.655 31.228 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.518 31.146 30.350 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.170 32.248 31.144 1.00 0.00 C ATOM 0 H TRP A 47 28.414 27.303 26.653 1.00 0.00 H new ATOM 0 HA TRP A 47 29.479 27.527 29.414 1.00 0.00 H new ATOM 0 HB2 TRP A 47 30.785 28.884 27.781 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.296 29.607 27.204 1.00 0.00 H new ATOM 0 HD1 TRP A 47 27.926 31.075 29.237 1.00 0.00 H new ATOM 0 HE1 TRP A 47 28.951 32.826 30.829 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.819 29.590 29.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.552 33.506 31.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.551 30.839 30.283 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.933 32.783 31.690 1.00 0.00 H new ATOM 718 N CYS A 48 27.194 28.293 30.158 1.00 0.00 N ATOM 719 CA CYS A 48 25.826 28.529 30.637 1.00 0.00 C ATOM 720 C CYS A 48 25.705 29.838 31.431 1.00 0.00 C ATOM 721 O CYS A 48 26.648 30.262 32.104 1.00 0.00 O ATOM 722 CB CYS A 48 25.339 27.324 31.453 1.00 0.00 C ATOM 723 SG CYS A 48 25.391 25.726 30.597 1.00 0.00 S ATOM 0 H CYS A 48 27.859 28.130 30.914 1.00 0.00 H new ATOM 0 HA CYS A 48 25.181 28.642 29.766 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.944 27.252 32.357 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.313 27.513 31.770 1.00 0.00 H new ATOM 728 N THR A 49 24.535 30.476 31.355 1.00 0.00 N ATOM 729 CA THR A 49 24.272 31.831 31.872 1.00 0.00 C ATOM 730 C THR A 49 22.945 31.951 32.624 1.00 0.00 C ATOM 731 O THR A 49 22.079 31.076 32.543 1.00 0.00 O ATOM 732 CB THR A 49 24.317 32.874 30.741 1.00 0.00 C ATOM 733 OG1 THR A 49 23.528 32.524 29.625 1.00 0.00 O ATOM 734 CG2 THR A 49 25.738 33.067 30.233 1.00 0.00 C ATOM 0 H THR A 49 23.715 30.055 30.919 1.00 0.00 H new ATOM 0 HA THR A 49 25.069 32.028 32.589 1.00 0.00 H new ATOM 0 HB THR A 49 23.922 33.787 31.187 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.596 33.225 28.943 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.741 33.809 29.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.373 33.410 31.050 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.119 32.120 29.850 1.00 0.00 H new ATOM 742 N HIS A 50 22.785 33.059 33.360 1.00 0.00 N ATOM 743 CA HIS A 50 21.627 33.357 34.220 1.00 0.00 C ATOM 744 C HIS A 50 21.411 32.316 35.335 1.00 0.00 C ATOM 745 O HIS A 50 20.286 31.888 35.608 1.00 0.00 O ATOM 746 CB HIS A 50 20.379 33.660 33.370 1.00 0.00 C ATOM 747 CG HIS A 50 20.641 34.608 32.222 1.00 0.00 C ATOM 748 ND1 HIS A 50 21.004 35.954 32.337 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.639 34.266 30.903 1.00 0.00 C ATOM 750 CE1 HIS A 50 21.212 36.386 31.079 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.990 35.395 30.203 1.00 0.00 N ATOM 0 H HIS A 50 23.484 33.802 33.375 1.00 0.00 H new ATOM 0 HA HIS A 50 21.847 34.270 34.772 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.984 32.724 32.974 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.608 34.085 34.012 1.00 0.00 H new ATOM 0 HD2 HIS A 50 20.407 33.296 30.488 1.00 0.00 H new ATOM 0 HE1 HIS A 50 21.515 37.388 30.813 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.068 35.467 29.189 1.00 0.00 H new ATOM 759 N LEU A 51 22.507 31.892 35.975 1.00 0.00 N ATOM 760 CA LEU A 51 22.532 30.901 37.059 1.00 0.00 C ATOM 761 C LEU A 51 22.512 31.555 38.454 1.00 0.00 C ATOM 762 O LEU A 51 23.025 32.667 38.648 1.00 0.00 O ATOM 763 CB LEU A 51 23.746 29.962 36.905 1.00 0.00 C ATOM 764 CG LEU A 51 23.960 29.358 35.502 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.130 28.375 35.545 1.00 0.00 C ATOM 766 CD2 LEU A 51 22.722 28.623 34.990 1.00 0.00 C ATOM 0 H LEU A 51 23.437 32.243 35.744 1.00 0.00 H new ATOM 0 HA LEU A 51 21.620 30.310 36.978 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.644 30.514 37.182 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.641 29.145 37.619 1.00 0.00 H new ATOM 0 HG LEU A 51 24.167 30.184 34.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.282 27.947 34.554 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.034 28.898 35.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.909 27.577 36.254 1.00 0.00 H new ATOM 0 HD21 LEU A 51 22.924 28.216 33.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.474 27.810 35.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 21.884 29.318 34.933 1.00 0.00 H new ATOM 778 N TYR A 52 21.958 30.844 39.436 1.00 0.00 N ATOM 779 CA TYR A 52 22.059 31.162 40.865 1.00 0.00 C ATOM 780 C TYR A 52 23.354 30.578 41.466 1.00 0.00 C ATOM 781 O TYR A 52 24.010 29.713 40.880 1.00 0.00 O ATOM 782 CB TYR A 52 20.781 30.699 41.586 1.00 0.00 C ATOM 783 CG TYR A 52 20.807 30.852 43.098 1.00 0.00 C ATOM 784 CD1 TYR A 52 20.825 32.133 43.684 1.00 0.00 C ATOM 785 CD2 TYR A 52 20.858 29.705 43.918 1.00 0.00 C ATOM 786 CE1 TYR A 52 20.904 32.269 45.085 1.00 0.00 C ATOM 787 CE2 TYR A 52 20.934 29.839 45.318 1.00 0.00 C ATOM 788 CZ TYR A 52 20.958 31.120 45.906 1.00 0.00 C ATOM 789 OH TYR A 52 21.024 31.233 47.261 1.00 0.00 O ATOM 0 H TYR A 52 21.409 30.004 39.256 1.00 0.00 H new ATOM 0 HA TYR A 52 22.131 32.241 41.004 1.00 0.00 H new ATOM 0 HB2 TYR A 52 19.935 31.263 41.193 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.605 29.651 41.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 20.778 33.012 43.059 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.839 28.722 43.471 1.00 0.00 H new ATOM 0 HE1 TYR A 52 20.923 33.252 45.531 1.00 0.00 H new ATOM 0 HE2 TYR A 52 20.974 28.959 45.942 1.00 0.00 H new ATOM 0 HH TYR A 52 21.053 30.340 47.663 1.00 0.00 H new ATOM 799 N GLU A 53 23.765 31.078 42.630 1.00 0.00 N ATOM 800 CA GLU A 53 25.102 30.859 43.203 1.00 0.00 C ATOM 801 C GLU A 53 25.337 29.449 43.783 1.00 0.00 C ATOM 802 O GLU A 53 26.453 29.137 44.197 1.00 0.00 O ATOM 803 CB GLU A 53 25.385 31.945 44.258 1.00 0.00 C ATOM 804 CG GLU A 53 25.230 33.386 43.741 1.00 0.00 C ATOM 805 CD GLU A 53 26.164 33.685 42.564 1.00 0.00 C ATOM 806 OE1 GLU A 53 27.376 33.919 42.801 1.00 0.00 O ATOM 807 OE2 GLU A 53 25.707 33.679 41.397 1.00 0.00 O ATOM 0 H GLU A 53 23.168 31.660 43.218 1.00 0.00 H new ATOM 0 HA GLU A 53 25.808 30.933 42.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.711 31.800 45.102 1.00 0.00 H new ATOM 0 HB3 GLU A 53 26.399 31.814 44.634 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.197 33.550 43.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 25.436 34.085 44.552 1.00 0.00 H new ATOM 814 N GLN A 54 24.320 28.579 43.797 1.00 0.00 N ATOM 815 CA GLN A 54 24.440 27.183 44.246 1.00 0.00 C ATOM 816 C GLN A 54 25.043 26.248 43.174 1.00 0.00 C ATOM 817 O GLN A 54 25.517 25.158 43.504 1.00 0.00 O ATOM 818 CB GLN A 54 23.057 26.720 44.746 1.00 0.00 C ATOM 819 CG GLN A 54 23.052 25.357 45.460 1.00 0.00 C ATOM 820 CD GLN A 54 24.013 25.309 46.645 1.00 0.00 C ATOM 821 OE1 GLN A 54 24.151 26.255 47.414 1.00 0.00 O ATOM 822 NE2 GLN A 54 24.719 24.223 46.836 1.00 0.00 N ATOM 0 H GLN A 54 23.378 28.826 43.493 1.00 0.00 H new ATOM 0 HA GLN A 54 25.155 27.130 45.067 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.662 27.473 45.428 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.376 26.672 43.896 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.042 25.137 45.807 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.321 24.577 44.747 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.614 23.429 46.204 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.374 24.171 47.616 1.00 0.00 H new ATOM 831 N ALA A 55 25.074 26.677 41.907 1.00 0.00 N ATOM 832 CA ALA A 55 25.591 25.895 40.782 1.00 0.00 C ATOM 833 C ALA A 55 27.107 25.603 40.869 1.00 0.00 C ATOM 834 O ALA A 55 27.840 26.228 41.647 1.00 0.00 O ATOM 835 CB ALA A 55 25.227 26.637 39.488 1.00 0.00 C ATOM 0 H ALA A 55 24.733 27.598 41.631 1.00 0.00 H new ATOM 0 HA ALA A 55 25.127 24.909 40.804 1.00 0.00 H new ATOM 0 HB1 ALA A 55 25.600 26.077 38.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 24.144 26.732 39.416 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.679 27.629 39.498 1.00 0.00 H new ATOM 841 N VAL A 56 27.579 24.668 40.036 1.00 0.00 N ATOM 842 CA VAL A 56 28.995 24.291 39.866 1.00 0.00 C ATOM 843 C VAL A 56 29.342 24.082 38.383 1.00 0.00 C ATOM 844 O VAL A 56 28.519 23.575 37.614 1.00 0.00 O ATOM 845 CB VAL A 56 29.327 23.062 40.740 1.00 0.00 C ATOM 846 CG1 VAL A 56 28.766 21.738 40.210 1.00 0.00 C ATOM 847 CG2 VAL A 56 30.834 22.909 40.945 1.00 0.00 C ATOM 0 H VAL A 56 26.960 24.127 39.433 1.00 0.00 H new ATOM 0 HA VAL A 56 29.625 25.111 40.210 1.00 0.00 H new ATOM 0 HB VAL A 56 28.833 23.267 41.690 1.00 0.00 H new ATOM 0 HG11 VAL A 56 29.046 20.928 40.884 1.00 0.00 H new ATOM 0 HG12 VAL A 56 27.679 21.801 40.150 1.00 0.00 H new ATOM 0 HG13 VAL A 56 29.173 21.541 39.218 1.00 0.00 H new ATOM 0 HG21 VAL A 56 31.030 22.034 41.565 1.00 0.00 H new ATOM 0 HG22 VAL A 56 31.322 22.786 39.978 1.00 0.00 H new ATOM 0 HG23 VAL A 56 31.226 23.798 41.439 1.00 0.00 H new ATOM 857 N VAL A 57 30.549 24.496 37.981 1.00 0.00 N ATOM 858 CA VAL A 57 30.995 24.645 36.578 1.00 0.00 C ATOM 859 C VAL A 57 32.378 24.014 36.338 1.00 0.00 C ATOM 860 O VAL A 57 33.043 23.566 37.276 1.00 0.00 O ATOM 861 CB VAL A 57 30.975 26.137 36.155 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.540 26.674 36.070 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.789 27.047 37.080 1.00 0.00 C ATOM 0 H VAL A 57 31.278 24.749 38.648 1.00 0.00 H new ATOM 0 HA VAL A 57 30.289 24.100 35.951 1.00 0.00 H new ATOM 0 HB VAL A 57 31.443 26.159 35.171 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.561 27.722 35.771 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.979 26.098 35.334 1.00 0.00 H new ATOM 0 HG13 VAL A 57 29.060 26.584 37.044 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.730 28.075 36.723 1.00 0.00 H new ATOM 0 HG22 VAL A 57 31.387 26.990 38.092 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.830 26.724 37.084 1.00 0.00 H new ATOM 873 N TRP A 58 32.821 23.935 35.079 1.00 0.00 N ATOM 874 CA TRP A 58 34.085 23.291 34.690 1.00 0.00 C ATOM 875 C TRP A 58 35.252 24.301 34.687 1.00 0.00 C ATOM 876 O TRP A 58 35.168 25.321 33.999 1.00 0.00 O ATOM 877 CB TRP A 58 33.896 22.629 33.309 1.00 0.00 C ATOM 878 CG TRP A 58 34.936 21.664 32.804 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.850 20.983 33.539 1.00 0.00 C ATOM 880 CD2 TRP A 58 35.126 21.197 31.426 1.00 0.00 C ATOM 881 NE1 TRP A 58 36.610 20.179 32.713 1.00 0.00 N ATOM 882 CE2 TRP A 58 36.215 20.278 31.401 1.00 0.00 C ATOM 883 CE3 TRP A 58 34.483 21.444 30.192 1.00 0.00 C ATOM 884 CZ2 TRP A 58 36.673 19.667 30.224 1.00 0.00 C ATOM 885 CZ3 TRP A 58 34.928 20.833 29.001 1.00 0.00 C ATOM 886 CH2 TRP A 58 36.026 19.957 29.011 1.00 0.00 C ATOM 0 H TRP A 58 32.306 24.322 34.288 1.00 0.00 H new ATOM 0 HA TRP A 58 34.346 22.525 35.420 1.00 0.00 H new ATOM 0 HB2 TRP A 58 32.942 22.102 33.326 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.806 23.428 32.573 1.00 0.00 H new ATOM 0 HD1 TRP A 58 35.966 21.058 34.610 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.372 19.584 33.038 1.00 0.00 H new ATOM 0 HE3 TRP A 58 33.636 22.113 30.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 37.510 18.985 30.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 34.419 21.041 28.071 1.00 0.00 H new ATOM 0 HH2 TRP A 58 36.371 19.509 28.091 1.00 0.00 H new ATOM 897 N PRO A 59 36.367 24.070 35.408 1.00 0.00 N ATOM 898 CA PRO A 59 37.623 24.768 35.133 1.00 0.00 C ATOM 899 C PRO A 59 38.253 24.169 33.864 1.00 0.00 C ATOM 900 O PRO A 59 38.752 23.039 33.885 1.00 0.00 O ATOM 901 CB PRO A 59 38.472 24.589 36.395 1.00 0.00 C ATOM 902 CG PRO A 59 37.968 23.273 36.990 1.00 0.00 C ATOM 903 CD PRO A 59 36.492 23.229 36.590 1.00 0.00 C ATOM 0 HA PRO A 59 37.509 25.833 34.930 1.00 0.00 H new ATOM 0 HB2 PRO A 59 39.535 24.540 36.158 1.00 0.00 H new ATOM 0 HB3 PRO A 59 38.338 25.419 37.089 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.515 22.419 36.591 1.00 0.00 H new ATOM 0 HG3 PRO A 59 38.089 23.252 38.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.177 22.208 36.376 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.859 23.596 37.398 1.00 0.00 H new ATOM 911 N LEU A 60 38.188 24.893 32.741 1.00 0.00 N ATOM 912 CA LEU A 60 38.464 24.341 31.408 1.00 0.00 C ATOM 913 C LEU A 60 39.968 24.032 31.195 1.00 0.00 C ATOM 914 O LEU A 60 40.800 24.897 31.493 1.00 0.00 O ATOM 915 CB LEU A 60 37.928 25.306 30.329 1.00 0.00 C ATOM 916 CG LEU A 60 37.912 24.704 28.907 1.00 0.00 C ATOM 917 CD1 LEU A 60 36.812 23.651 28.759 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.657 25.771 27.848 1.00 0.00 C ATOM 0 H LEU A 60 37.941 25.883 32.730 1.00 0.00 H new ATOM 0 HA LEU A 60 37.946 23.386 31.323 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.916 25.609 30.597 1.00 0.00 H new ATOM 0 HB3 LEU A 60 38.540 26.208 30.325 1.00 0.00 H new ATOM 0 HG LEU A 60 38.894 24.254 28.762 1.00 0.00 H new ATOM 0 HD11 LEU A 60 36.828 23.248 27.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 36.981 22.845 29.473 1.00 0.00 H new ATOM 0 HD13 LEU A 60 35.842 24.109 28.951 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.653 25.310 26.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.692 26.243 28.032 1.00 0.00 H new ATOM 0 HD23 LEU A 60 38.444 26.524 27.893 1.00 0.00 H new ATOM 930 N PRO A 61 40.340 22.859 30.643 1.00 0.00 N ATOM 931 CA PRO A 61 41.725 22.536 30.275 1.00 0.00 C ATOM 932 C PRO A 61 42.300 23.397 29.129 1.00 0.00 C ATOM 933 O PRO A 61 41.588 24.173 28.486 1.00 0.00 O ATOM 934 CB PRO A 61 41.712 21.044 29.912 1.00 0.00 C ATOM 935 CG PRO A 61 40.474 20.492 30.608 1.00 0.00 C ATOM 936 CD PRO A 61 39.510 21.667 30.525 1.00 0.00 C ATOM 0 HA PRO A 61 42.389 22.759 31.110 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.659 20.899 28.833 1.00 0.00 H new ATOM 0 HB3 PRO A 61 42.617 20.544 30.257 1.00 0.00 H new ATOM 0 HG2 PRO A 61 40.083 19.608 30.104 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.680 20.206 31.639 1.00 0.00 H new ATOM 0 HD2 PRO A 61 38.964 21.661 29.582 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.769 21.624 31.323 1.00 0.00 H new ATOM 944 N ASN A 62 43.598 23.242 28.841 1.00 0.00 N ATOM 945 CA ASN A 62 44.271 23.936 27.733 1.00 0.00 C ATOM 946 C ASN A 62 43.928 23.319 26.361 1.00 0.00 C ATOM 947 O ASN A 62 43.757 24.048 25.382 1.00 0.00 O ATOM 948 CB ASN A 62 45.789 23.944 28.000 1.00 0.00 C ATOM 949 CG ASN A 62 46.555 24.680 26.911 1.00 0.00 C ATOM 950 OD1 ASN A 62 47.132 24.084 26.006 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.580 25.989 26.942 1.00 0.00 N ATOM 0 H ASN A 62 44.216 22.628 29.372 1.00 0.00 H new ATOM 0 HA ASN A 62 43.910 24.963 27.689 1.00 0.00 H new ATOM 0 HB2 ASN A 62 45.985 24.415 28.963 1.00 0.00 H new ATOM 0 HB3 ASN A 62 46.151 22.918 28.068 1.00 0.00 H new ATOM 0 HD21 ASN A 62 47.077 26.507 26.217 1.00 0.00 H new ATOM 0 HD22 ASN A 62 46.103 26.491 27.691 1.00 0.00 H new ATOM 958 N LYS A 63 43.794 21.988 26.284 1.00 0.00 N ATOM 959 CA LYS A 63 43.405 21.252 25.066 1.00 0.00 C ATOM 960 C LYS A 63 42.293 20.234 25.327 1.00 0.00 C ATOM 961 O LYS A 63 42.055 19.826 26.464 1.00 0.00 O ATOM 962 CB LYS A 63 44.646 20.640 24.389 1.00 0.00 C ATOM 963 CG LYS A 63 45.353 19.558 25.222 1.00 0.00 C ATOM 964 CD LYS A 63 46.581 19.035 24.470 1.00 0.00 C ATOM 965 CE LYS A 63 47.286 17.932 25.267 1.00 0.00 C ATOM 966 NZ LYS A 63 48.425 17.361 24.513 1.00 0.00 N ATOM 0 H LYS A 63 43.956 21.376 27.084 1.00 0.00 H new ATOM 0 HA LYS A 63 42.972 21.964 24.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.348 20.209 23.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 45.357 21.437 24.172 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.654 19.969 26.186 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.665 18.738 25.426 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.278 18.648 23.497 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.275 19.855 24.285 1.00 0.00 H new ATOM 0 HE2 LYS A 63 47.642 18.337 26.214 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.574 17.142 25.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.880 16.618 25.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 48.081 16.953 23.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 49.116 18.111 24.307 1.00 0.00 H new ATOM 980 N THR A 64 41.599 19.836 24.264 1.00 0.00 N ATOM 981 CA THR A 64 40.345 19.069 24.317 1.00 0.00 C ATOM 982 C THR A 64 40.468 17.719 25.031 1.00 0.00 C ATOM 983 O THR A 64 41.534 17.094 25.043 1.00 0.00 O ATOM 984 CB THR A 64 39.781 18.864 22.905 1.00 0.00 C ATOM 985 OG1 THR A 64 40.707 18.201 22.067 1.00 0.00 O ATOM 986 CG2 THR A 64 39.432 20.192 22.236 1.00 0.00 C ATOM 0 H THR A 64 41.898 20.041 23.311 1.00 0.00 H new ATOM 0 HA THR A 64 39.658 19.669 24.913 1.00 0.00 H new ATOM 0 HB THR A 64 38.883 18.260 23.030 1.00 0.00 H new ATOM 0 HG1 THR A 64 40.316 18.084 21.176 1.00 0.00 H new ATOM 0 HG21 THR A 64 39.036 20.004 21.238 1.00 0.00 H new ATOM 0 HG22 THR A 64 38.683 20.713 22.831 1.00 0.00 H new ATOM 0 HG23 THR A 64 40.328 20.808 22.160 1.00 0.00 H new ATOM 994 N CYS A 65 39.366 17.271 25.633 1.00 0.00 N ATOM 995 CA CYS A 65 39.273 16.035 26.407 1.00 0.00 C ATOM 996 C CYS A 65 38.605 14.911 25.595 1.00 0.00 C ATOM 997 O CYS A 65 37.608 15.150 24.910 1.00 0.00 O ATOM 998 CB CYS A 65 38.533 16.350 27.713 1.00 0.00 C ATOM 999 SG CYS A 65 38.405 14.988 28.901 1.00 0.00 S ATOM 0 H CYS A 65 38.482 17.778 25.593 1.00 0.00 H new ATOM 0 HA CYS A 65 40.268 15.661 26.647 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.036 17.185 28.200 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.526 16.686 27.465 1.00 0.00 H new ATOM 1004 N ASN A 66 39.130 13.685 25.683 1.00 0.00 N ATOM 1005 CA ASN A 66 38.584 12.494 25.012 1.00 0.00 C ATOM 1006 C ASN A 66 37.876 11.553 26.005 1.00 0.00 C ATOM 1007 O ASN A 66 38.185 11.518 27.199 1.00 0.00 O ATOM 1008 CB ASN A 66 39.697 11.770 24.231 1.00 0.00 C ATOM 1009 CG ASN A 66 40.203 12.565 23.039 1.00 0.00 C ATOM 1010 OD1 ASN A 66 39.545 12.678 22.014 1.00 0.00 O ATOM 1011 ND2 ASN A 66 41.388 13.116 23.111 1.00 0.00 N ATOM 0 H ASN A 66 39.965 13.485 26.234 1.00 0.00 H new ATOM 0 HA ASN A 66 37.825 12.820 24.301 1.00 0.00 H new ATOM 0 HB2 ASN A 66 40.530 11.565 24.903 1.00 0.00 H new ATOM 0 HB3 ASN A 66 39.322 10.807 23.885 1.00 0.00 H new ATOM 0 HD21 ASN A 66 41.758 13.636 22.315 1.00 0.00 H new ATOM 0 HD22 ASN A 66 41.942 13.025 23.963 1.00 0.00 H new HETATM 1018 N NH2 A 67 36.930 10.754 25.535 1.00 0.00 N TER 1021 NH2 A 67