USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 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 64 THR OG1 : rot 95:sc= 1.26 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.13 K(o=2.4,f=-1.6) USER MOD Set 2.1: A 32 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.598) USER MOD Single : A 22 ASN : amide:sc= 0.327 K(o=0.33,f=-4.8!) 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 K(o=0,f=-0.76) 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 -65:sc= 1.22 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 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.15) USER MOD Single : A 62 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 27.190 34.514 38.275 1.00 0.00 N ATOM 2 CA LYS A 1 27.615 33.097 38.179 1.00 0.00 C ATOM 3 C LYS A 1 27.535 32.607 36.734 1.00 0.00 C ATOM 4 O LYS A 1 26.472 32.713 36.125 1.00 0.00 O ATOM 5 CB LYS A 1 26.746 32.211 39.099 1.00 0.00 C ATOM 6 CG LYS A 1 27.262 30.774 39.297 1.00 0.00 C ATOM 7 CD LYS A 1 28.608 30.698 40.029 1.00 0.00 C ATOM 8 CE LYS A 1 28.918 29.244 40.399 1.00 0.00 C ATOM 9 NZ LYS A 1 30.268 29.093 40.985 1.00 0.00 N ATOM 0 H1 LYS A 1 27.251 34.829 39.264 1.00 0.00 H new ATOM 0 H2 LYS A 1 27.811 35.104 37.685 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.209 34.605 37.943 1.00 0.00 H new ATOM 0 HA LYS A 1 28.652 33.026 38.507 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.670 32.691 40.075 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.738 32.165 38.687 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.521 30.205 39.858 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.361 30.295 38.323 1.00 0.00 H new ATOM 0 HD2 LYS A 1 29.400 31.098 39.395 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.578 31.313 40.928 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.173 28.885 41.109 1.00 0.00 H new ATOM 0 HE3 LYS A 1 28.838 28.619 39.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.435 28.094 41.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.982 29.411 40.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 30.338 29.668 41.849 1.00 0.00 H new ATOM 25 N GLU A 2 28.618 32.047 36.189 1.00 0.00 N ATOM 26 CA GLU A 2 28.687 31.388 34.864 1.00 0.00 C ATOM 27 C GLU A 2 29.751 30.265 34.859 1.00 0.00 C ATOM 28 O GLU A 2 30.545 30.166 35.797 1.00 0.00 O ATOM 29 CB GLU A 2 29.046 32.397 33.761 1.00 0.00 C ATOM 30 CG GLU A 2 28.018 33.511 33.527 1.00 0.00 C ATOM 31 CD GLU A 2 28.290 34.330 32.256 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.393 34.240 31.659 1.00 0.00 O ATOM 33 OE2 GLU A 2 27.373 35.084 31.845 1.00 0.00 O ATOM 0 H GLU A 2 29.515 32.035 36.674 1.00 0.00 H new ATOM 0 HA GLU A 2 27.702 30.965 34.668 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.003 32.856 34.010 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.186 31.853 32.827 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.023 33.070 33.461 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.014 34.179 34.388 1.00 0.00 H new ATOM 40 N GLY A 3 29.794 29.421 33.821 1.00 0.00 N ATOM 41 CA GLY A 3 30.877 28.445 33.620 1.00 0.00 C ATOM 42 C GLY A 3 30.566 27.352 32.590 1.00 0.00 C ATOM 43 O GLY A 3 29.521 27.376 31.935 1.00 0.00 O ATOM 0 H GLY A 3 29.079 29.394 33.094 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.775 28.977 33.306 1.00 0.00 H new ATOM 0 HA3 GLY A 3 31.104 27.972 34.575 1.00 0.00 H new ATOM 47 N TYR A 4 31.480 26.387 32.450 1.00 0.00 N ATOM 48 CA TYR A 4 31.417 25.314 31.460 1.00 0.00 C ATOM 49 C TYR A 4 30.406 24.199 31.810 1.00 0.00 C ATOM 50 O TYR A 4 30.107 23.928 32.980 1.00 0.00 O ATOM 51 CB TYR A 4 32.831 24.741 31.264 1.00 0.00 C ATOM 52 CG TYR A 4 33.810 25.649 30.531 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.676 25.841 29.142 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.863 26.283 31.223 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.579 26.674 28.452 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.768 27.120 30.534 1.00 0.00 C ATOM 57 CZ TYR A 4 35.623 27.324 29.144 1.00 0.00 C ATOM 58 OH TYR A 4 36.469 28.149 28.468 1.00 0.00 O ATOM 0 H TYR A 4 32.309 26.332 33.042 1.00 0.00 H new ATOM 0 HA TYR A 4 31.048 25.745 30.529 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.247 24.503 32.243 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.751 23.803 30.715 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.879 25.349 28.605 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.978 26.127 32.286 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.471 26.816 27.387 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.571 27.604 31.070 1.00 0.00 H new ATOM 0 HH TYR A 4 37.131 28.519 29.089 1.00 0.00 H new ATOM 68 N LEU A 5 29.917 23.518 30.768 1.00 0.00 N ATOM 69 CA LEU A 5 29.119 22.288 30.833 1.00 0.00 C ATOM 70 C LEU A 5 30.024 21.074 31.136 1.00 0.00 C ATOM 71 O LEU A 5 31.060 20.898 30.489 1.00 0.00 O ATOM 72 CB LEU A 5 28.374 22.143 29.491 1.00 0.00 C ATOM 73 CG LEU A 5 27.288 21.053 29.475 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.027 21.480 30.230 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.877 20.752 28.035 1.00 0.00 C ATOM 0 H LEU A 5 30.075 23.825 29.808 1.00 0.00 H new ATOM 0 HA LEU A 5 28.391 22.335 31.642 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.914 23.099 29.241 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.101 21.924 28.709 1.00 0.00 H new ATOM 0 HG LEU A 5 27.717 20.177 29.962 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.290 20.678 30.191 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.279 21.690 31.269 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.613 22.376 29.769 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.108 19.980 28.030 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.485 21.657 27.572 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.744 20.404 27.474 1.00 0.00 H new ATOM 87 N VAL A 6 29.650 20.235 32.111 1.00 0.00 N ATOM 88 CA VAL A 6 30.569 19.275 32.762 1.00 0.00 C ATOM 89 C VAL A 6 29.964 17.871 32.943 1.00 0.00 C ATOM 90 O VAL A 6 28.770 17.715 33.211 1.00 0.00 O ATOM 91 CB VAL A 6 31.105 19.889 34.085 1.00 0.00 C ATOM 92 CG1 VAL A 6 30.003 20.405 35.016 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.980 18.961 34.932 1.00 0.00 C ATOM 0 H VAL A 6 28.698 20.198 32.476 1.00 0.00 H new ATOM 0 HA VAL A 6 31.414 19.108 32.094 1.00 0.00 H new ATOM 0 HB VAL A 6 31.713 20.709 33.703 1.00 0.00 H new ATOM 0 HG11 VAL A 6 30.453 20.819 35.918 1.00 0.00 H new ATOM 0 HG12 VAL A 6 29.431 21.181 34.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.340 19.583 35.286 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.302 19.485 35.832 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.408 18.077 35.212 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.855 18.659 34.356 1.00 0.00 H new ATOM 103 N SER A 7 30.808 16.839 32.820 1.00 0.00 N ATOM 104 CA SER A 7 30.567 15.470 33.304 1.00 0.00 C ATOM 105 C SER A 7 31.272 15.261 34.649 1.00 0.00 C ATOM 106 O SER A 7 32.416 15.694 34.830 1.00 0.00 O ATOM 107 CB SER A 7 31.071 14.432 32.298 1.00 0.00 C ATOM 108 OG SER A 7 30.902 13.131 32.834 1.00 0.00 O ATOM 0 H SER A 7 31.714 16.937 32.363 1.00 0.00 H new ATOM 0 HA SER A 7 29.492 15.339 33.426 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.524 14.524 31.360 1.00 0.00 H new ATOM 0 HB3 SER A 7 32.122 14.610 32.072 1.00 0.00 H new ATOM 0 HG SER A 7 31.223 12.467 32.189 1.00 0.00 H new ATOM 114 N LYS A 8 30.615 14.574 35.592 1.00 0.00 N ATOM 115 CA LYS A 8 31.022 14.459 37.008 1.00 0.00 C ATOM 116 C LYS A 8 32.439 13.929 37.264 1.00 0.00 C ATOM 117 O LYS A 8 33.000 14.195 38.326 1.00 0.00 O ATOM 118 CB LYS A 8 29.979 13.587 37.731 1.00 0.00 C ATOM 119 CG LYS A 8 30.108 12.082 37.423 1.00 0.00 C ATOM 120 CD LYS A 8 28.883 11.265 37.849 1.00 0.00 C ATOM 121 CE LYS A 8 28.571 11.358 39.342 1.00 0.00 C ATOM 122 NZ LYS A 8 27.366 10.566 39.665 1.00 0.00 N ATOM 0 H LYS A 8 29.756 14.064 35.389 1.00 0.00 H new ATOM 0 HA LYS A 8 31.058 15.475 37.400 1.00 0.00 H new ATOM 0 HB2 LYS A 8 30.075 13.738 38.806 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.981 13.922 37.450 1.00 0.00 H new ATOM 0 HG2 LYS A 8 30.269 11.950 36.353 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.990 11.690 37.929 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.016 11.606 37.284 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.045 10.220 37.585 1.00 0.00 H new ATOM 0 HE2 LYS A 8 29.420 10.994 39.921 1.00 0.00 H new ATOM 0 HE3 LYS A 8 28.416 12.399 39.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.166 10.638 40.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.555 10.932 39.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.528 9.570 39.414 1.00 0.00 H new ATOM 136 N SER A 9 33.008 13.171 36.326 1.00 0.00 N ATOM 137 CA SER A 9 34.229 12.376 36.524 1.00 0.00 C ATOM 138 C SER A 9 35.369 12.675 35.539 1.00 0.00 C ATOM 139 O SER A 9 36.468 12.142 35.720 1.00 0.00 O ATOM 140 CB SER A 9 33.852 10.894 36.460 1.00 0.00 C ATOM 141 OG SER A 9 33.280 10.609 35.198 1.00 0.00 O ATOM 0 H SER A 9 32.627 13.088 35.384 1.00 0.00 H new ATOM 0 HA SER A 9 34.628 12.654 37.500 1.00 0.00 H new ATOM 0 HB2 SER A 9 34.735 10.275 36.619 1.00 0.00 H new ATOM 0 HB3 SER A 9 33.146 10.652 37.255 1.00 0.00 H new ATOM 0 HG SER A 9 33.040 9.660 35.155 1.00 0.00 H new ATOM 147 N THR A 10 35.153 13.526 34.527 1.00 0.00 N ATOM 148 CA THR A 10 36.134 13.811 33.449 1.00 0.00 C ATOM 149 C THR A 10 36.316 15.299 33.105 1.00 0.00 C ATOM 150 O THR A 10 37.260 15.639 32.388 1.00 0.00 O ATOM 151 CB THR A 10 35.781 13.031 32.168 1.00 0.00 C ATOM 152 OG1 THR A 10 34.425 13.218 31.827 1.00 0.00 O ATOM 153 CG2 THR A 10 35.987 11.524 32.324 1.00 0.00 C ATOM 0 H THR A 10 34.282 14.048 34.425 1.00 0.00 H new ATOM 0 HA THR A 10 37.088 13.478 33.856 1.00 0.00 H new ATOM 0 HB THR A 10 36.447 13.418 31.397 1.00 0.00 H new ATOM 0 HG1 THR A 10 34.221 12.716 31.010 1.00 0.00 H new ATOM 0 HG21 THR A 10 35.724 11.022 31.393 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.031 11.322 32.562 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.353 11.151 33.129 1.00 0.00 H new ATOM 161 N GLY A 11 35.478 16.199 33.632 1.00 0.00 N ATOM 162 CA GLY A 11 35.535 17.643 33.364 1.00 0.00 C ATOM 163 C GLY A 11 34.612 18.080 32.219 1.00 0.00 C ATOM 164 O GLY A 11 33.468 17.630 32.139 1.00 0.00 O ATOM 0 H GLY A 11 34.725 15.940 34.270 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.263 18.185 34.269 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.561 17.921 33.122 1.00 0.00 H new ATOM 168 N CYS A 12 35.077 18.984 31.353 1.00 0.00 N ATOM 169 CA CYS A 12 34.274 19.575 30.275 1.00 0.00 C ATOM 170 C CYS A 12 33.614 18.530 29.359 1.00 0.00 C ATOM 171 O CYS A 12 34.233 17.522 29.006 1.00 0.00 O ATOM 172 CB CYS A 12 35.154 20.471 29.397 1.00 0.00 C ATOM 173 SG CYS A 12 35.680 22.050 30.104 1.00 0.00 S ATOM 0 H CYS A 12 36.035 19.332 31.380 1.00 0.00 H new ATOM 0 HA CYS A 12 33.485 20.141 30.770 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.046 19.907 29.125 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.613 20.677 28.473 1.00 0.00 H new ATOM 178 N LYS A 13 32.393 18.818 28.890 1.00 0.00 N ATOM 179 CA LYS A 13 31.778 18.122 27.744 1.00 0.00 C ATOM 180 C LYS A 13 32.479 18.487 26.420 1.00 0.00 C ATOM 181 O LYS A 13 33.436 19.266 26.391 1.00 0.00 O ATOM 182 CB LYS A 13 30.255 18.370 27.726 1.00 0.00 C ATOM 183 CG LYS A 13 29.489 17.852 28.960 1.00 0.00 C ATOM 184 CD LYS A 13 29.673 16.357 29.266 1.00 0.00 C ATOM 185 CE LYS A 13 29.147 15.414 28.167 1.00 0.00 C ATOM 186 NZ LYS A 13 27.747 15.011 28.429 1.00 0.00 N ATOM 0 H LYS A 13 31.799 19.542 29.294 1.00 0.00 H new ATOM 0 HA LYS A 13 31.921 17.048 27.859 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.079 19.442 27.633 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.837 17.900 26.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.805 18.426 29.831 1.00 0.00 H new ATOM 0 HG3 LYS A 13 28.427 18.049 28.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.733 16.158 29.422 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.164 16.125 30.202 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.210 15.910 27.198 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.779 14.527 28.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.421 14.377 27.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.693 14.517 29.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.142 15.856 28.457 1.00 0.00 H new ATOM 200 N TYR A 14 32.041 17.880 25.318 1.00 0.00 N ATOM 201 CA TYR A 14 32.792 17.838 24.058 1.00 0.00 C ATOM 202 C TYR A 14 32.768 19.164 23.286 1.00 0.00 C ATOM 203 O TYR A 14 31.948 20.052 23.535 1.00 0.00 O ATOM 204 CB TYR A 14 32.342 16.648 23.197 1.00 0.00 C ATOM 205 CG TYR A 14 30.890 16.674 22.769 1.00 0.00 C ATOM 206 CD1 TYR A 14 30.490 17.454 21.667 1.00 0.00 C ATOM 207 CD2 TYR A 14 29.942 15.904 23.470 1.00 0.00 C ATOM 208 CE1 TYR A 14 29.137 17.476 21.278 1.00 0.00 C ATOM 209 CE2 TYR A 14 28.590 15.931 23.087 1.00 0.00 C ATOM 210 CZ TYR A 14 28.183 16.724 21.995 1.00 0.00 C ATOM 211 OH TYR A 14 26.885 16.730 21.595 1.00 0.00 O ATOM 0 H TYR A 14 31.144 17.397 25.271 1.00 0.00 H new ATOM 0 HA TYR A 14 33.839 17.687 24.320 1.00 0.00 H new ATOM 0 HB2 TYR A 14 32.967 16.609 22.304 1.00 0.00 H new ATOM 0 HB3 TYR A 14 32.524 15.728 23.753 1.00 0.00 H new ATOM 0 HD1 TYR A 14 31.219 18.034 21.121 1.00 0.00 H new ATOM 0 HD2 TYR A 14 30.254 15.292 24.303 1.00 0.00 H new ATOM 0 HE1 TYR A 14 28.829 18.069 20.430 1.00 0.00 H new ATOM 0 HE2 TYR A 14 27.863 15.344 23.629 1.00 0.00 H new ATOM 0 HH TYR A 14 26.356 16.162 22.193 1.00 0.00 H new ATOM 221 N GLU A 15 33.699 19.301 22.349 1.00 0.00 N ATOM 222 CA GLU A 15 34.168 20.591 21.846 1.00 0.00 C ATOM 223 C GLU A 15 33.221 21.342 20.894 1.00 0.00 C ATOM 224 O GLU A 15 32.413 20.746 20.169 1.00 0.00 O ATOM 225 CB GLU A 15 35.559 20.395 21.209 1.00 0.00 C ATOM 226 CG GLU A 15 35.568 19.632 19.867 1.00 0.00 C ATOM 227 CD GLU A 15 35.079 18.175 19.947 1.00 0.00 C ATOM 228 OE1 GLU A 15 35.433 17.448 20.904 1.00 0.00 O ATOM 229 OE2 GLU A 15 34.368 17.714 19.016 1.00 0.00 O ATOM 0 H GLU A 15 34.159 18.505 21.908 1.00 0.00 H new ATOM 0 HA GLU A 15 34.212 21.249 22.714 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.011 21.375 21.054 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.192 19.860 21.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.943 20.171 19.155 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.583 19.638 19.469 1.00 0.00 H new ATOM 236 N CYS A 16 33.374 22.669 20.851 1.00 0.00 N ATOM 237 CA CYS A 16 32.678 23.553 19.914 1.00 0.00 C ATOM 238 C CYS A 16 33.126 23.326 18.460 1.00 0.00 C ATOM 239 O CYS A 16 34.325 23.344 18.166 1.00 0.00 O ATOM 240 CB CYS A 16 32.935 25.020 20.291 1.00 0.00 C ATOM 241 SG CYS A 16 32.355 25.524 21.926 1.00 0.00 S ATOM 0 H CYS A 16 34.000 23.169 21.482 1.00 0.00 H new ATOM 0 HA CYS A 16 31.615 23.321 19.982 1.00 0.00 H new ATOM 0 HB2 CYS A 16 34.007 25.208 20.232 1.00 0.00 H new ATOM 0 HB3 CYS A 16 32.459 25.656 19.545 1.00 0.00 H new ATOM 246 N LEU A 17 32.152 23.207 17.553 1.00 0.00 N ATOM 247 CA LEU A 17 32.315 23.307 16.096 1.00 0.00 C ATOM 248 C LEU A 17 31.836 24.679 15.590 1.00 0.00 C ATOM 249 O LEU A 17 32.527 25.297 14.776 1.00 0.00 O ATOM 250 CB LEU A 17 31.552 22.145 15.430 1.00 0.00 C ATOM 251 CG LEU A 17 31.657 22.097 13.892 1.00 0.00 C ATOM 252 CD1 LEU A 17 33.079 21.797 13.417 1.00 0.00 C ATOM 253 CD2 LEU A 17 30.736 21.006 13.347 1.00 0.00 C ATOM 0 H LEU A 17 31.185 23.030 17.824 1.00 0.00 H new ATOM 0 HA LEU A 17 33.369 23.227 15.831 1.00 0.00 H new ATOM 0 HB2 LEU A 17 31.926 21.205 15.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.500 22.215 15.706 1.00 0.00 H new ATOM 0 HG LEU A 17 31.367 23.081 13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 33.101 21.774 12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 17 33.754 22.573 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 17 33.397 20.830 13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.812 20.975 12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.031 20.041 13.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.707 21.223 13.632 1.00 0.00 H new ATOM 265 N LYS A 18 30.703 25.169 16.123 1.00 0.00 N ATOM 266 CA LYS A 18 30.197 26.541 15.953 1.00 0.00 C ATOM 267 C LYS A 18 30.392 27.338 17.247 1.00 0.00 C ATOM 268 O LYS A 18 29.968 26.898 18.318 1.00 0.00 O ATOM 269 CB LYS A 18 28.727 26.505 15.494 1.00 0.00 C ATOM 270 CG LYS A 18 28.162 27.889 15.112 1.00 0.00 C ATOM 271 CD LYS A 18 26.688 27.760 14.695 1.00 0.00 C ATOM 272 CE LYS A 18 26.061 29.037 14.116 1.00 0.00 C ATOM 273 NZ LYS A 18 25.978 30.136 15.104 1.00 0.00 N ATOM 0 H LYS A 18 30.092 24.598 16.706 1.00 0.00 H new ATOM 0 HA LYS A 18 30.765 27.052 15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.640 25.838 14.637 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.117 26.081 16.292 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.251 28.573 15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.744 28.315 14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.604 26.965 13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.107 27.450 15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.648 29.368 13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.061 28.810 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.222 30.794 14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.769 29.743 16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.885 30.644 15.135 1.00 0.00 H new ATOM 287 N LEU A 19 31.046 28.494 17.150 1.00 0.00 N ATOM 288 CA LEU A 19 31.389 29.376 18.274 1.00 0.00 C ATOM 289 C LEU A 19 30.411 30.557 18.377 1.00 0.00 C ATOM 290 O LEU A 19 29.827 30.978 17.375 1.00 0.00 O ATOM 291 CB LEU A 19 32.850 29.860 18.137 1.00 0.00 C ATOM 292 CG LEU A 19 33.975 28.890 18.556 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.894 28.526 20.041 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.027 27.603 17.731 1.00 0.00 C ATOM 0 H LEU A 19 31.366 28.860 16.253 1.00 0.00 H new ATOM 0 HA LEU A 19 31.300 28.809 19.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.015 30.133 17.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.957 30.771 18.726 1.00 0.00 H new ATOM 0 HG LEU A 19 34.893 29.443 18.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.704 27.842 20.293 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.983 29.431 20.643 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.937 28.046 20.246 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.844 26.975 18.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.084 27.066 17.835 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.190 27.850 16.682 1.00 0.00 H new ATOM 306 N GLY A 20 30.243 31.097 19.585 1.00 0.00 N ATOM 307 CA GLY A 20 29.224 32.106 19.891 1.00 0.00 C ATOM 308 C GLY A 20 27.843 31.467 20.065 1.00 0.00 C ATOM 309 O GLY A 20 27.732 30.387 20.652 1.00 0.00 O ATOM 0 H GLY A 20 30.817 30.844 20.389 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.498 32.638 20.802 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.187 32.844 19.089 1.00 0.00 H new ATOM 313 N ASP A 21 26.802 32.130 19.554 1.00 0.00 N ATOM 314 CA ASP A 21 25.420 31.632 19.490 1.00 0.00 C ATOM 315 C ASP A 21 25.339 30.179 18.976 1.00 0.00 C ATOM 316 O ASP A 21 25.677 29.903 17.821 1.00 0.00 O ATOM 317 CB ASP A 21 24.627 32.581 18.575 1.00 0.00 C ATOM 318 CG ASP A 21 23.187 32.126 18.357 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.359 32.282 19.284 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.863 31.605 17.263 1.00 0.00 O ATOM 0 H ASP A 21 26.900 33.065 19.158 1.00 0.00 H new ATOM 0 HA ASP A 21 24.997 31.616 20.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.626 33.581 19.010 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.130 32.654 17.611 1.00 0.00 H new ATOM 325 N ASN A 22 24.894 29.250 19.829 1.00 0.00 N ATOM 326 CA ASN A 22 24.808 27.824 19.505 1.00 0.00 C ATOM 327 C ASN A 22 23.699 27.111 20.315 1.00 0.00 C ATOM 328 O ASN A 22 23.833 26.878 21.521 1.00 0.00 O ATOM 329 CB ASN A 22 26.203 27.207 19.731 1.00 0.00 C ATOM 330 CG ASN A 22 26.341 25.804 19.170 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.366 25.097 18.945 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.553 25.374 18.916 1.00 0.00 N ATOM 0 H ASN A 22 24.580 29.471 20.774 1.00 0.00 H new ATOM 0 HA ASN A 22 24.519 27.692 18.462 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.955 27.849 19.272 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.413 27.185 20.800 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.692 24.442 18.527 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.357 25.972 19.108 1.00 0.00 H new ATOM 339 N ASP A 23 22.610 26.724 19.645 1.00 0.00 N ATOM 340 CA ASP A 23 21.430 26.114 20.277 1.00 0.00 C ATOM 341 C ASP A 23 21.701 24.707 20.841 1.00 0.00 C ATOM 342 O ASP A 23 21.042 24.311 21.800 1.00 0.00 O ATOM 343 CB ASP A 23 20.263 26.088 19.278 1.00 0.00 C ATOM 344 CG ASP A 23 18.902 25.868 19.952 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.284 26.875 20.378 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.427 24.709 19.994 1.00 0.00 O ATOM 0 H ASP A 23 22.519 26.826 18.634 1.00 0.00 H new ATOM 0 HA ASP A 23 21.167 26.734 21.134 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.242 27.029 18.728 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.434 25.296 18.549 1.00 0.00 H new ATOM 351 N TYR A 24 22.708 23.980 20.330 1.00 0.00 N ATOM 352 CA TYR A 24 23.143 22.692 20.896 1.00 0.00 C ATOM 353 C TYR A 24 23.715 22.839 22.318 1.00 0.00 C ATOM 354 O TYR A 24 23.616 21.902 23.115 1.00 0.00 O ATOM 355 CB TYR A 24 24.186 22.016 19.988 1.00 0.00 C ATOM 356 CG TYR A 24 23.718 21.657 18.588 1.00 0.00 C ATOM 357 CD1 TYR A 24 22.713 20.686 18.406 1.00 0.00 C ATOM 358 CD2 TYR A 24 24.320 22.252 17.462 1.00 0.00 C ATOM 359 CE1 TYR A 24 22.282 20.341 17.108 1.00 0.00 C ATOM 360 CE2 TYR A 24 23.899 21.903 16.164 1.00 0.00 C ATOM 361 CZ TYR A 24 22.868 20.960 15.983 1.00 0.00 C ATOM 362 OH TYR A 24 22.454 20.661 14.721 1.00 0.00 O ATOM 0 H TYR A 24 23.244 24.269 19.512 1.00 0.00 H new ATOM 0 HA TYR A 24 22.253 22.065 20.956 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.048 22.678 19.903 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.530 21.106 20.479 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.270 20.203 19.265 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.108 22.979 17.595 1.00 0.00 H new ATOM 0 HE1 TYR A 24 21.504 19.604 16.975 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.368 22.360 15.305 1.00 0.00 H new ATOM 0 HH TYR A 24 22.971 21.185 14.074 1.00 0.00 H new ATOM 372 N CYS A 25 24.264 24.010 22.662 1.00 0.00 N ATOM 373 CA CYS A 25 24.641 24.343 24.037 1.00 0.00 C ATOM 374 C CYS A 25 23.440 24.842 24.843 1.00 0.00 C ATOM 375 O CYS A 25 23.235 24.390 25.969 1.00 0.00 O ATOM 376 CB CYS A 25 25.759 25.388 24.035 1.00 0.00 C ATOM 377 SG CYS A 25 27.312 24.835 23.293 1.00 0.00 S ATOM 0 H CYS A 25 24.459 24.754 21.992 1.00 0.00 H new ATOM 0 HA CYS A 25 25.004 23.434 24.518 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.411 26.271 23.499 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.953 25.695 25.063 1.00 0.00 H new ATOM 382 N LEU A 26 22.622 25.730 24.260 1.00 0.00 N ATOM 383 CA LEU A 26 21.445 26.302 24.921 1.00 0.00 C ATOM 384 C LEU A 26 20.506 25.194 25.423 1.00 0.00 C ATOM 385 O LEU A 26 20.229 25.132 26.619 1.00 0.00 O ATOM 386 CB LEU A 26 20.744 27.282 23.957 1.00 0.00 C ATOM 387 CG LEU A 26 19.873 28.364 24.630 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.284 29.260 23.546 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.703 27.822 25.454 1.00 0.00 C ATOM 0 H LEU A 26 22.762 26.073 23.309 1.00 0.00 H new ATOM 0 HA LEU A 26 21.754 26.863 25.803 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.504 27.776 23.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.117 26.708 23.275 1.00 0.00 H new ATOM 0 HG LEU A 26 20.535 28.892 25.317 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.665 30.030 24.007 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.091 29.731 22.985 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.674 28.661 22.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.148 28.653 25.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.042 27.242 24.810 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.084 27.184 26.251 1.00 0.00 H new ATOM 401 N ARG A 27 20.091 24.268 24.545 1.00 0.00 N ATOM 402 CA ARG A 27 19.149 23.182 24.875 1.00 0.00 C ATOM 403 C ARG A 27 19.645 22.258 25.992 1.00 0.00 C ATOM 404 O ARG A 27 18.841 21.801 26.804 1.00 0.00 O ATOM 405 CB ARG A 27 18.786 22.405 23.592 1.00 0.00 C ATOM 406 CG ARG A 27 19.929 21.524 23.051 1.00 0.00 C ATOM 407 CD ARG A 27 19.610 20.864 21.705 1.00 0.00 C ATOM 408 NE ARG A 27 19.392 21.832 20.612 1.00 0.00 N ATOM 409 CZ ARG A 27 19.122 21.516 19.358 1.00 0.00 C ATOM 410 NH1 ARG A 27 19.163 20.299 18.906 1.00 0.00 N ATOM 411 NH2 ARG A 27 18.784 22.427 18.504 1.00 0.00 N ATOM 0 H ARG A 27 20.403 24.250 23.574 1.00 0.00 H new ATOM 0 HA ARG A 27 18.247 23.641 25.279 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.919 21.775 23.793 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.491 23.116 22.820 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.827 22.133 22.944 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.156 20.748 23.782 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.429 20.199 21.432 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.719 20.245 21.815 1.00 0.00 H new ATOM 0 HE ARG A 27 19.455 22.823 20.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.413 19.532 19.530 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.945 20.111 17.928 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.723 23.402 18.796 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.578 22.170 17.539 1.00 0.00 H new ATOM 425 N GLU A 28 20.955 22.019 26.074 1.00 0.00 N ATOM 426 CA GLU A 28 21.556 21.126 27.070 1.00 0.00 C ATOM 427 C GLU A 28 21.773 21.841 28.416 1.00 0.00 C ATOM 428 O GLU A 28 21.433 21.279 29.458 1.00 0.00 O ATOM 429 CB GLU A 28 22.852 20.524 26.502 1.00 0.00 C ATOM 430 CG GLU A 28 23.339 19.283 27.269 1.00 0.00 C ATOM 431 CD GLU A 28 22.433 18.063 27.061 1.00 0.00 C ATOM 432 OE1 GLU A 28 22.442 17.477 25.954 1.00 0.00 O ATOM 433 OE2 GLU A 28 21.709 17.654 28.001 1.00 0.00 O ATOM 0 H GLU A 28 21.637 22.444 25.445 1.00 0.00 H new ATOM 0 HA GLU A 28 20.867 20.308 27.279 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.692 20.256 25.458 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.634 21.283 26.520 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.351 19.037 26.948 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.389 19.515 28.333 1.00 0.00 H new ATOM 440 N CYS A 29 22.224 23.103 28.412 1.00 0.00 N ATOM 441 CA CYS A 29 22.233 23.949 29.613 1.00 0.00 C ATOM 442 C CYS A 29 20.809 24.114 30.181 1.00 0.00 C ATOM 443 O CYS A 29 20.605 23.976 31.384 1.00 0.00 O ATOM 444 CB CYS A 29 22.833 25.324 29.279 1.00 0.00 C ATOM 445 SG CYS A 29 24.617 25.385 28.951 1.00 0.00 S ATOM 0 H CYS A 29 22.591 23.564 27.580 1.00 0.00 H new ATOM 0 HA CYS A 29 22.847 23.464 30.372 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.314 25.717 28.405 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.617 25.998 30.108 1.00 0.00 H new ATOM 450 N LYS A 30 19.808 24.336 29.318 1.00 0.00 N ATOM 451 CA LYS A 30 18.380 24.458 29.664 1.00 0.00 C ATOM 452 C LYS A 30 17.811 23.172 30.278 1.00 0.00 C ATOM 453 O LYS A 30 17.110 23.227 31.288 1.00 0.00 O ATOM 454 CB LYS A 30 17.641 24.864 28.378 1.00 0.00 C ATOM 455 CG LYS A 30 16.175 25.252 28.577 1.00 0.00 C ATOM 456 CD LYS A 30 15.543 25.572 27.212 1.00 0.00 C ATOM 457 CE LYS A 30 14.095 26.058 27.317 1.00 0.00 C ATOM 458 NZ LYS A 30 13.148 24.974 27.663 1.00 0.00 N ATOM 0 H LYS A 30 19.975 24.440 28.317 1.00 0.00 H new ATOM 0 HA LYS A 30 18.245 25.215 30.437 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.166 25.704 27.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.691 24.036 27.670 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.634 24.438 29.059 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.102 26.117 29.236 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.140 26.335 26.712 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.576 24.680 26.586 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.034 26.842 28.072 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.797 26.505 26.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.184 25.360 27.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.182 24.236 26.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.411 24.563 28.581 1.00 0.00 H new ATOM 472 N GLN A 31 18.171 22.005 29.739 1.00 0.00 N ATOM 473 CA GLN A 31 17.771 20.695 30.274 1.00 0.00 C ATOM 474 C GLN A 31 18.373 20.393 31.666 1.00 0.00 C ATOM 475 O GLN A 31 17.795 19.590 32.404 1.00 0.00 O ATOM 476 CB GLN A 31 18.083 19.624 29.212 1.00 0.00 C ATOM 477 CG GLN A 31 17.989 18.155 29.658 1.00 0.00 C ATOM 478 CD GLN A 31 16.649 17.686 30.226 1.00 0.00 C ATOM 479 OE1 GLN A 31 15.623 18.356 30.180 1.00 0.00 O ATOM 480 NE2 GLN A 31 16.621 16.503 30.795 1.00 0.00 N ATOM 0 H GLN A 31 18.757 21.939 28.907 1.00 0.00 H new ATOM 0 HA GLN A 31 16.698 20.695 30.464 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.401 19.769 28.374 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.091 19.801 28.837 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.233 17.525 28.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.756 17.980 30.412 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.469 15.938 30.838 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.751 16.149 31.194 1.00 0.00 H new ATOM 489 N GLN A 32 19.450 21.073 32.084 1.00 0.00 N ATOM 490 CA GLN A 32 19.977 21.006 33.455 1.00 0.00 C ATOM 491 C GLN A 32 19.441 22.137 34.356 1.00 0.00 C ATOM 492 O GLN A 32 18.893 21.870 35.425 1.00 0.00 O ATOM 493 CB GLN A 32 21.517 20.968 33.409 1.00 0.00 C ATOM 494 CG GLN A 32 22.123 20.851 34.819 1.00 0.00 C ATOM 495 CD GLN A 32 23.631 20.626 34.842 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.277 20.252 33.866 1.00 0.00 O ATOM 497 NE2 GLN A 32 24.242 20.789 35.989 1.00 0.00 N ATOM 0 H GLN A 32 19.985 21.691 31.474 1.00 0.00 H new ATOM 0 HA GLN A 32 19.619 20.086 33.916 1.00 0.00 H new ATOM 0 HB2 GLN A 32 21.843 20.124 32.801 1.00 0.00 H new ATOM 0 HB3 GLN A 32 21.890 21.871 32.926 1.00 0.00 H new ATOM 0 HG2 GLN A 32 21.895 21.760 35.375 1.00 0.00 H new ATOM 0 HG3 GLN A 32 21.637 20.027 35.342 1.00 0.00 H new ATOM 0 HE21 GLN A 32 23.717 21.099 36.807 1.00 0.00 H new ATOM 0 HE22 GLN A 32 25.243 20.606 36.064 1.00 0.00 H new ATOM 506 N TYR A 33 19.582 23.398 33.944 1.00 0.00 N ATOM 507 CA TYR A 33 19.365 24.586 34.785 1.00 0.00 C ATOM 508 C TYR A 33 17.964 25.221 34.666 1.00 0.00 C ATOM 509 O TYR A 33 17.675 26.208 35.342 1.00 0.00 O ATOM 510 CB TYR A 33 20.494 25.594 34.518 1.00 0.00 C ATOM 511 CG TYR A 33 21.880 25.093 34.889 1.00 0.00 C ATOM 512 CD1 TYR A 33 22.208 24.906 36.246 1.00 0.00 C ATOM 513 CD2 TYR A 33 22.841 24.823 33.893 1.00 0.00 C ATOM 514 CE1 TYR A 33 23.491 24.451 36.606 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.130 24.375 34.252 1.00 0.00 C ATOM 516 CZ TYR A 33 24.458 24.193 35.613 1.00 0.00 C ATOM 517 OH TYR A 33 25.697 23.780 35.983 1.00 0.00 O ATOM 0 H TYR A 33 19.858 23.632 32.990 1.00 0.00 H new ATOM 0 HA TYR A 33 19.398 24.257 35.824 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.487 25.858 33.461 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.289 26.508 35.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.474 25.112 37.011 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.590 24.960 32.852 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.735 24.299 37.647 1.00 0.00 H new ATOM 0 HE2 TYR A 33 24.865 24.172 33.487 1.00 0.00 H new ATOM 0 HH TYR A 33 26.248 23.644 35.184 1.00 0.00 H new ATOM 527 N GLY A 34 17.071 24.655 33.849 1.00 0.00 N ATOM 528 CA GLY A 34 15.692 25.127 33.671 1.00 0.00 C ATOM 529 C GLY A 34 15.535 26.238 32.628 1.00 0.00 C ATOM 530 O GLY A 34 16.514 26.806 32.140 1.00 0.00 O ATOM 0 H GLY A 34 17.290 23.838 33.280 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.066 24.283 33.382 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.318 25.488 34.629 1.00 0.00 H new ATOM 534 N LYS A 35 14.286 26.555 32.259 1.00 0.00 N ATOM 535 CA LYS A 35 13.994 27.439 31.108 1.00 0.00 C ATOM 536 C LYS A 35 14.311 28.925 31.309 1.00 0.00 C ATOM 537 O LYS A 35 14.451 29.636 30.314 1.00 0.00 O ATOM 538 CB LYS A 35 12.572 27.206 30.584 1.00 0.00 C ATOM 539 CG LYS A 35 11.476 27.721 31.524 1.00 0.00 C ATOM 540 CD LYS A 35 10.109 27.380 30.932 1.00 0.00 C ATOM 541 CE LYS A 35 8.978 27.842 31.852 1.00 0.00 C ATOM 542 NZ LYS A 35 7.679 27.336 31.365 1.00 0.00 N ATOM 0 H LYS A 35 13.454 26.213 32.740 1.00 0.00 H new ATOM 0 HA LYS A 35 14.705 27.140 30.338 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.467 27.695 29.615 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.425 26.138 30.420 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.583 27.268 32.510 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.570 28.799 31.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.004 27.854 29.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.036 26.304 30.774 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.157 27.485 32.866 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.958 28.931 31.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.921 27.658 32.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.504 27.697 30.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.696 26.296 31.346 1.00 0.00 H new ATOM 556 N SER A 36 14.484 29.388 32.548 1.00 0.00 N ATOM 557 CA SER A 36 14.971 30.748 32.836 1.00 0.00 C ATOM 558 C SER A 36 16.493 30.897 32.631 1.00 0.00 C ATOM 559 O SER A 36 16.990 32.023 32.557 1.00 0.00 O ATOM 560 CB SER A 36 14.555 31.188 34.248 1.00 0.00 C ATOM 561 OG SER A 36 13.155 31.034 34.458 1.00 0.00 O ATOM 0 H SER A 36 14.292 28.835 33.383 1.00 0.00 H new ATOM 0 HA SER A 36 14.499 31.411 32.111 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.100 30.601 34.987 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.833 32.231 34.401 1.00 0.00 H new ATOM 0 HG SER A 36 12.927 31.322 35.367 1.00 0.00 H new ATOM 567 N SER A 37 17.227 29.788 32.483 1.00 0.00 N ATOM 568 CA SER A 37 18.654 29.737 32.126 1.00 0.00 C ATOM 569 C SER A 37 18.879 29.543 30.615 1.00 0.00 C ATOM 570 O SER A 37 17.941 29.281 29.857 1.00 0.00 O ATOM 571 CB SER A 37 19.354 28.643 32.941 1.00 0.00 C ATOM 572 OG SER A 37 19.293 28.964 34.318 1.00 0.00 O ATOM 0 H SER A 37 16.827 28.859 32.614 1.00 0.00 H new ATOM 0 HA SER A 37 19.094 30.703 32.375 1.00 0.00 H new ATOM 0 HB2 SER A 37 18.877 27.680 32.760 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.393 28.549 32.625 1.00 0.00 H new ATOM 0 HG SER A 37 19.815 29.776 34.488 1.00 0.00 H new ATOM 578 N GLY A 38 20.124 29.700 30.157 1.00 0.00 N ATOM 579 CA GLY A 38 20.527 29.569 28.749 1.00 0.00 C ATOM 580 C GLY A 38 21.951 29.027 28.575 1.00 0.00 C ATOM 581 O GLY A 38 22.550 28.510 29.520 1.00 0.00 O ATOM 0 H GLY A 38 20.905 29.929 30.772 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.828 28.906 28.238 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.454 30.543 28.265 1.00 0.00 H new ATOM 585 N GLY A 39 22.501 29.133 27.361 1.00 0.00 N ATOM 586 CA GLY A 39 23.884 28.741 27.072 1.00 0.00 C ATOM 587 C GLY A 39 24.323 28.975 25.623 1.00 0.00 C ATOM 588 O GLY A 39 23.494 29.109 24.719 1.00 0.00 O ATOM 0 H GLY A 39 21.999 29.494 26.550 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.551 29.294 27.734 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.005 27.684 27.308 1.00 0.00 H new ATOM 592 N TYR A 40 25.639 29.025 25.410 1.00 0.00 N ATOM 593 CA TYR A 40 26.301 29.245 24.115 1.00 0.00 C ATOM 594 C TYR A 40 27.671 28.532 24.068 1.00 0.00 C ATOM 595 O TYR A 40 28.032 27.855 25.033 1.00 0.00 O ATOM 596 CB TYR A 40 26.379 30.759 23.842 1.00 0.00 C ATOM 597 CG TYR A 40 27.413 31.577 24.602 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.169 31.988 25.929 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.564 32.035 23.931 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.060 32.870 26.575 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.445 32.931 24.565 1.00 0.00 C ATOM 602 CZ TYR A 40 29.193 33.357 25.886 1.00 0.00 C ATOM 603 OH TYR A 40 30.024 34.262 26.470 1.00 0.00 O ATOM 0 H TYR A 40 26.308 28.908 26.171 1.00 0.00 H new ATOM 0 HA TYR A 40 25.717 28.800 23.309 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.565 30.896 22.777 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.398 31.186 24.052 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.296 31.626 26.452 1.00 0.00 H new ATOM 0 HD2 TYR A 40 28.771 31.697 22.926 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.876 33.173 27.595 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.316 33.293 24.039 1.00 0.00 H new ATOM 0 HH TYR A 40 30.751 34.485 25.852 1.00 0.00 H new ATOM 613 N CYS A 41 28.424 28.612 22.963 1.00 0.00 N ATOM 614 CA CYS A 41 29.726 27.931 22.835 1.00 0.00 C ATOM 615 C CYS A 41 30.902 28.917 22.968 1.00 0.00 C ATOM 616 O CYS A 41 31.000 29.886 22.205 1.00 0.00 O ATOM 617 CB CYS A 41 29.763 27.109 21.537 1.00 0.00 C ATOM 618 SG CYS A 41 30.337 25.401 21.759 1.00 0.00 S ATOM 0 H CYS A 41 28.154 29.145 22.137 1.00 0.00 H new ATOM 0 HA CYS A 41 29.843 27.232 23.663 1.00 0.00 H new ATOM 0 HB2 CYS A 41 28.764 27.092 21.102 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.414 27.610 20.821 1.00 0.00 H new ATOM 623 N TYR A 42 31.801 28.674 23.929 1.00 0.00 N ATOM 624 CA TYR A 42 32.867 29.608 24.310 1.00 0.00 C ATOM 625 C TYR A 42 34.223 28.907 24.464 1.00 0.00 C ATOM 626 O TYR A 42 34.327 27.909 25.172 1.00 0.00 O ATOM 627 CB TYR A 42 32.472 30.344 25.601 1.00 0.00 C ATOM 628 CG TYR A 42 33.423 31.470 25.961 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.292 32.722 25.328 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.464 31.259 26.887 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.211 33.755 25.594 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.381 32.293 27.160 1.00 0.00 C ATOM 633 CZ TYR A 42 35.265 33.538 26.503 1.00 0.00 C ATOM 634 OH TYR A 42 36.195 34.507 26.720 1.00 0.00 O ATOM 0 H TYR A 42 31.808 27.810 24.472 1.00 0.00 H new ATOM 0 HA TYR A 42 32.984 30.334 23.506 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.466 30.749 25.488 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.437 29.629 26.423 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.481 32.890 24.634 1.00 0.00 H new ATOM 0 HD2 TYR A 42 34.559 30.306 27.387 1.00 0.00 H new ATOM 0 HE1 TYR A 42 34.108 34.711 25.102 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.175 32.133 27.874 1.00 0.00 H new ATOM 0 HH TYR A 42 36.850 34.191 27.377 1.00 0.00 H new ATOM 644 N ALA A 43 35.250 29.464 23.811 1.00 0.00 N ATOM 645 CA ALA A 43 36.659 29.045 23.746 1.00 0.00 C ATOM 646 C ALA A 43 36.924 27.594 23.292 1.00 0.00 C ATOM 647 O ALA A 43 37.612 27.377 22.289 1.00 0.00 O ATOM 648 CB ALA A 43 37.352 29.390 25.071 1.00 0.00 C ATOM 0 H ALA A 43 35.101 30.307 23.257 1.00 0.00 H new ATOM 0 HA ALA A 43 37.103 29.617 22.931 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.396 29.081 25.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.299 30.465 25.240 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.854 28.869 25.889 1.00 0.00 H new ATOM 654 N PHE A 44 36.382 26.613 24.014 1.00 0.00 N ATOM 655 CA PHE A 44 36.619 25.179 23.851 1.00 0.00 C ATOM 656 C PHE A 44 35.321 24.352 23.800 1.00 0.00 C ATOM 657 O PHE A 44 35.231 23.421 23.000 1.00 0.00 O ATOM 658 CB PHE A 44 37.496 24.695 25.021 1.00 0.00 C ATOM 659 CG PHE A 44 38.748 25.514 25.298 1.00 0.00 C ATOM 660 CD1 PHE A 44 39.760 25.617 24.324 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.901 26.183 26.528 1.00 0.00 C ATOM 662 CE1 PHE A 44 40.918 26.372 24.581 1.00 0.00 C ATOM 663 CE2 PHE A 44 40.057 26.942 26.784 1.00 0.00 C ATOM 664 CZ PHE A 44 41.067 27.035 25.811 1.00 0.00 C ATOM 0 H PHE A 44 35.728 26.810 24.772 1.00 0.00 H new ATOM 0 HA PHE A 44 37.117 25.031 22.893 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.887 24.682 25.925 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.795 23.666 24.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 39.646 25.114 23.375 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.127 26.113 27.278 1.00 0.00 H new ATOM 0 HE1 PHE A 44 41.693 26.442 23.833 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.169 27.454 27.729 1.00 0.00 H new ATOM 0 HZ PHE A 44 41.956 27.615 26.008 1.00 0.00 H new ATOM 674 N ALA A 45 34.323 24.677 24.632 1.00 0.00 N ATOM 675 CA ALA A 45 33.147 23.839 24.908 1.00 0.00 C ATOM 676 C ALA A 45 31.887 24.676 25.230 1.00 0.00 C ATOM 677 O ALA A 45 31.923 25.910 25.211 1.00 0.00 O ATOM 678 CB ALA A 45 33.513 22.902 26.072 1.00 0.00 C ATOM 0 H ALA A 45 34.311 25.557 25.148 1.00 0.00 H new ATOM 0 HA ALA A 45 32.891 23.264 24.018 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.662 22.263 26.306 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.364 22.283 25.787 1.00 0.00 H new ATOM 0 HB3 ALA A 45 33.773 23.495 26.949 1.00 0.00 H new ATOM 684 N CYS A 46 30.760 24.019 25.525 1.00 0.00 N ATOM 685 CA CYS A 46 29.538 24.718 25.929 1.00 0.00 C ATOM 686 C CYS A 46 29.670 25.441 27.288 1.00 0.00 C ATOM 687 O CYS A 46 30.269 24.923 28.232 1.00 0.00 O ATOM 688 CB CYS A 46 28.372 23.728 25.948 1.00 0.00 C ATOM 689 SG CYS A 46 27.797 23.146 24.330 1.00 0.00 S ATOM 0 H CYS A 46 30.670 23.004 25.491 1.00 0.00 H new ATOM 0 HA CYS A 46 29.350 25.501 25.194 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.667 22.861 26.540 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.533 24.195 26.463 1.00 0.00 H new ATOM 694 N TRP A 47 29.051 26.622 27.386 1.00 0.00 N ATOM 695 CA TRP A 47 29.084 27.550 28.523 1.00 0.00 C ATOM 696 C TRP A 47 27.656 28.014 28.863 1.00 0.00 C ATOM 697 O TRP A 47 26.916 28.432 27.968 1.00 0.00 O ATOM 698 CB TRP A 47 29.993 28.724 28.129 1.00 0.00 C ATOM 699 CG TRP A 47 30.212 29.802 29.148 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.399 30.863 29.360 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.335 29.974 30.069 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.939 31.675 30.340 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.115 31.158 30.831 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.521 29.258 30.339 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.003 31.594 31.822 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.434 29.702 31.318 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.176 30.864 32.064 1.00 0.00 C ATOM 0 H TRP A 47 28.476 26.979 26.623 1.00 0.00 H new ATOM 0 HA TRP A 47 29.480 27.071 29.418 1.00 0.00 H new ATOM 0 HB2 TRP A 47 30.967 28.318 27.854 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.576 29.187 27.234 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.469 31.047 28.842 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.518 32.548 30.659 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.733 28.355 29.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.787 32.484 32.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.341 29.143 31.496 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.876 31.193 32.818 1.00 0.00 H new ATOM 718 N CYS A 48 27.250 27.930 30.133 1.00 0.00 N ATOM 719 CA CYS A 48 25.862 28.162 30.563 1.00 0.00 C ATOM 720 C CYS A 48 25.648 29.548 31.209 1.00 0.00 C ATOM 721 O CYS A 48 26.537 30.086 31.875 1.00 0.00 O ATOM 722 CB CYS A 48 25.389 27.015 31.470 1.00 0.00 C ATOM 723 SG CYS A 48 25.511 25.328 30.789 1.00 0.00 S ATOM 0 H CYS A 48 27.879 27.697 30.901 1.00 0.00 H new ATOM 0 HA CYS A 48 25.241 28.170 29.667 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.967 27.052 32.394 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.348 27.200 31.737 1.00 0.00 H new ATOM 728 N THR A 49 24.451 30.117 31.020 1.00 0.00 N ATOM 729 CA THR A 49 24.098 31.513 31.348 1.00 0.00 C ATOM 730 C THR A 49 22.775 31.642 32.120 1.00 0.00 C ATOM 731 O THR A 49 21.965 30.713 32.168 1.00 0.00 O ATOM 732 CB THR A 49 24.026 32.384 30.077 1.00 0.00 C ATOM 733 OG1 THR A 49 23.058 31.887 29.179 1.00 0.00 O ATOM 734 CG2 THR A 49 25.359 32.456 29.332 1.00 0.00 C ATOM 0 H THR A 49 23.668 29.601 30.619 1.00 0.00 H new ATOM 0 HA THR A 49 24.897 31.868 31.999 1.00 0.00 H new ATOM 0 HB THR A 49 23.759 33.383 30.421 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.029 32.456 28.382 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.248 33.082 28.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.119 32.884 29.986 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.662 31.453 29.031 1.00 0.00 H new ATOM 742 N HIS A 50 22.553 32.817 32.722 1.00 0.00 N ATOM 743 CA HIS A 50 21.399 33.177 33.565 1.00 0.00 C ATOM 744 C HIS A 50 21.162 32.208 34.735 1.00 0.00 C ATOM 745 O HIS A 50 20.203 31.428 34.749 1.00 0.00 O ATOM 746 CB HIS A 50 20.159 33.454 32.702 1.00 0.00 C ATOM 747 CG HIS A 50 20.285 34.722 31.900 1.00 0.00 C ATOM 748 ND1 HIS A 50 19.967 35.999 32.371 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.782 34.823 30.634 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.270 36.838 31.368 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.759 36.162 30.317 1.00 0.00 N ATOM 0 H HIS A 50 23.212 33.590 32.630 1.00 0.00 H new ATOM 0 HA HIS A 50 21.640 34.113 34.068 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.997 32.615 32.026 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.281 33.520 33.344 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.125 34.014 30.006 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.138 37.909 31.402 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.062 36.571 29.433 1.00 0.00 H new ATOM 759 N LEU A 51 22.070 32.260 35.715 1.00 0.00 N ATOM 760 CA LEU A 51 22.196 31.322 36.837 1.00 0.00 C ATOM 761 C LEU A 51 22.135 32.015 38.214 1.00 0.00 C ATOM 762 O LEU A 51 22.379 33.220 38.350 1.00 0.00 O ATOM 763 CB LEU A 51 23.531 30.562 36.700 1.00 0.00 C ATOM 764 CG LEU A 51 23.773 29.840 35.361 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.175 29.244 35.357 1.00 0.00 C ATOM 766 CD2 LEU A 51 22.781 28.706 35.114 1.00 0.00 C ATOM 0 H LEU A 51 22.775 32.997 35.749 1.00 0.00 H new ATOM 0 HA LEU A 51 21.347 30.639 36.792 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.345 31.269 36.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.588 29.825 37.501 1.00 0.00 H new ATOM 0 HG LEU A 51 23.646 30.583 34.574 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.350 28.732 34.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.909 30.040 35.480 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.270 28.533 36.177 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.000 28.234 34.156 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.867 27.967 35.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 21.767 29.106 35.098 1.00 0.00 H new ATOM 778 N TYR A 52 21.862 31.232 39.260 1.00 0.00 N ATOM 779 CA TYR A 52 22.044 31.630 40.664 1.00 0.00 C ATOM 780 C TYR A 52 23.419 31.199 41.206 1.00 0.00 C ATOM 781 O TYR A 52 24.075 30.329 40.630 1.00 0.00 O ATOM 782 CB TYR A 52 20.886 31.094 41.517 1.00 0.00 C ATOM 783 CG TYR A 52 19.553 31.759 41.227 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.213 32.966 41.871 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.648 31.174 40.321 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.970 33.579 41.621 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.396 31.773 40.084 1.00 0.00 C ATOM 788 CZ TYR A 52 17.048 32.974 40.740 1.00 0.00 C ATOM 789 OH TYR A 52 15.833 33.551 40.523 1.00 0.00 O ATOM 0 H TYR A 52 21.501 30.284 39.156 1.00 0.00 H new ATOM 0 HA TYR A 52 22.026 32.718 40.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.790 30.021 41.350 1.00 0.00 H new ATOM 0 HB3 TYR A 52 21.129 31.232 42.571 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.909 33.423 42.559 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.915 30.263 39.806 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.722 34.513 42.104 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.700 31.313 39.399 1.00 0.00 H new ATOM 0 HH TYR A 52 15.321 33.007 39.889 1.00 0.00 H new ATOM 799 N GLU A 53 23.863 31.809 42.309 1.00 0.00 N ATOM 800 CA GLU A 53 25.197 31.620 42.911 1.00 0.00 C ATOM 801 C GLU A 53 25.600 30.147 43.130 1.00 0.00 C ATOM 802 O GLU A 53 26.755 29.784 42.893 1.00 0.00 O ATOM 803 CB GLU A 53 25.247 32.337 44.271 1.00 0.00 C ATOM 804 CG GLU A 53 25.208 33.866 44.202 1.00 0.00 C ATOM 805 CD GLU A 53 25.191 34.449 45.618 1.00 0.00 C ATOM 806 OE1 GLU A 53 26.230 34.345 46.316 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.132 34.951 46.071 1.00 0.00 O ATOM 0 H GLU A 53 23.288 32.472 42.829 1.00 0.00 H new ATOM 0 HA GLU A 53 25.904 32.038 42.195 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.407 31.995 44.876 1.00 0.00 H new ATOM 0 HB3 GLU A 53 26.157 32.035 44.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.076 34.237 43.657 1.00 0.00 H new ATOM 0 HG3 GLU A 53 24.324 34.192 43.654 1.00 0.00 H new ATOM 814 N GLN A 54 24.666 29.287 43.554 1.00 0.00 N ATOM 815 CA GLN A 54 24.923 27.871 43.858 1.00 0.00 C ATOM 816 C GLN A 54 24.953 26.934 42.632 1.00 0.00 C ATOM 817 O GLN A 54 25.109 25.721 42.809 1.00 0.00 O ATOM 818 CB GLN A 54 23.941 27.379 44.941 1.00 0.00 C ATOM 819 CG GLN A 54 24.206 28.004 46.319 1.00 0.00 C ATOM 820 CD GLN A 54 25.539 27.576 46.922 1.00 0.00 C ATOM 821 OE1 GLN A 54 26.550 28.248 46.770 1.00 0.00 O ATOM 822 NE2 GLN A 54 25.595 26.444 47.591 1.00 0.00 N ATOM 0 H GLN A 54 23.693 29.559 43.698 1.00 0.00 H new ATOM 0 HA GLN A 54 25.942 27.824 44.243 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.922 27.612 44.632 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.010 26.294 45.021 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.187 29.090 46.229 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.400 27.726 46.999 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.752 25.884 47.717 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.482 26.127 47.983 1.00 0.00 H new ATOM 831 N ALA A 55 24.819 27.434 41.398 1.00 0.00 N ATOM 832 CA ALA A 55 24.830 26.598 40.189 1.00 0.00 C ATOM 833 C ALA A 55 26.143 25.800 40.023 1.00 0.00 C ATOM 834 O ALA A 55 27.239 26.331 40.222 1.00 0.00 O ATOM 835 CB ALA A 55 24.543 27.478 38.968 1.00 0.00 C ATOM 0 H ALA A 55 24.700 28.429 41.208 1.00 0.00 H new ATOM 0 HA ALA A 55 24.046 25.847 40.287 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.550 26.864 38.067 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.566 27.948 39.080 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.309 28.249 38.887 1.00 0.00 H new ATOM 841 N VAL A 56 26.041 24.525 39.628 1.00 0.00 N ATOM 842 CA VAL A 56 27.162 23.555 39.582 1.00 0.00 C ATOM 843 C VAL A 56 27.966 23.651 38.267 1.00 0.00 C ATOM 844 O VAL A 56 28.283 22.655 37.616 1.00 0.00 O ATOM 845 CB VAL A 56 26.690 22.120 39.931 1.00 0.00 C ATOM 846 CG1 VAL A 56 27.863 21.208 40.327 1.00 0.00 C ATOM 847 CG2 VAL A 56 25.725 22.108 41.130 1.00 0.00 C ATOM 0 H VAL A 56 25.156 24.120 39.322 1.00 0.00 H new ATOM 0 HA VAL A 56 27.870 23.830 40.364 1.00 0.00 H new ATOM 0 HB VAL A 56 26.200 21.758 39.027 1.00 0.00 H new ATOM 0 HG11 VAL A 56 27.486 20.213 40.563 1.00 0.00 H new ATOM 0 HG12 VAL A 56 28.568 21.142 39.499 1.00 0.00 H new ATOM 0 HG13 VAL A 56 28.367 21.622 41.200 1.00 0.00 H new ATOM 0 HG21 VAL A 56 25.419 21.083 41.341 1.00 0.00 H new ATOM 0 HG22 VAL A 56 26.226 22.524 42.004 1.00 0.00 H new ATOM 0 HG23 VAL A 56 24.846 22.708 40.896 1.00 0.00 H new ATOM 857 N VAL A 57 28.280 24.882 37.855 1.00 0.00 N ATOM 858 CA VAL A 57 29.081 25.206 36.660 1.00 0.00 C ATOM 859 C VAL A 57 30.586 25.095 36.927 1.00 0.00 C ATOM 860 O VAL A 57 31.049 25.329 38.049 1.00 0.00 O ATOM 861 CB VAL A 57 28.744 26.596 36.095 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.423 26.605 35.331 1.00 0.00 C ATOM 863 CG2 VAL A 57 28.697 27.697 37.162 1.00 0.00 C ATOM 0 H VAL A 57 27.975 25.714 38.359 1.00 0.00 H new ATOM 0 HA VAL A 57 28.814 24.462 35.909 1.00 0.00 H new ATOM 0 HB VAL A 57 29.565 26.815 35.413 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.229 27.608 34.952 1.00 0.00 H new ATOM 0 HG12 VAL A 57 27.481 25.906 34.496 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.615 26.307 35.999 1.00 0.00 H new ATOM 0 HG21 VAL A 57 28.454 28.650 36.691 1.00 0.00 H new ATOM 0 HG22 VAL A 57 27.935 27.453 37.903 1.00 0.00 H new ATOM 0 HG23 VAL A 57 29.668 27.771 37.651 1.00 0.00 H new ATOM 873 N TRP A 58 31.360 24.733 35.899 1.00 0.00 N ATOM 874 CA TRP A 58 32.775 24.370 36.055 1.00 0.00 C ATOM 875 C TRP A 58 33.746 25.481 35.595 1.00 0.00 C ATOM 876 O TRP A 58 33.586 25.986 34.478 1.00 0.00 O ATOM 877 CB TRP A 58 33.019 23.038 35.334 1.00 0.00 C ATOM 878 CG TRP A 58 34.140 22.202 35.873 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.189 21.690 37.124 1.00 0.00 C ATOM 880 CD2 TRP A 58 35.342 21.713 35.198 1.00 0.00 C ATOM 881 NE1 TRP A 58 35.333 20.937 37.280 1.00 0.00 N ATOM 882 CE2 TRP A 58 36.068 20.890 36.113 1.00 0.00 C ATOM 883 CE3 TRP A 58 35.887 21.865 33.903 1.00 0.00 C ATOM 884 CZ2 TRP A 58 37.262 20.247 35.756 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.087 21.223 33.537 1.00 0.00 C ATOM 886 CH2 TRP A 58 37.773 20.412 34.457 1.00 0.00 C ATOM 0 H TRP A 58 31.026 24.683 34.937 1.00 0.00 H new ATOM 0 HA TRP A 58 32.989 24.251 37.117 1.00 0.00 H new ATOM 0 HB2 TRP A 58 32.101 22.451 35.374 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.219 23.246 34.283 1.00 0.00 H new ATOM 0 HD1 TRP A 58 33.442 21.848 37.888 1.00 0.00 H new ATOM 0 HE1 TRP A 58 35.602 20.473 38.148 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.375 22.484 33.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 37.784 19.631 36.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.483 21.355 32.541 1.00 0.00 H new ATOM 0 HH2 TRP A 58 38.689 19.918 34.167 1.00 0.00 H new ATOM 897 N PRO A 59 34.758 25.857 36.407 1.00 0.00 N ATOM 898 CA PRO A 59 35.814 26.805 36.036 1.00 0.00 C ATOM 899 C PRO A 59 37.026 26.085 35.413 1.00 0.00 C ATOM 900 O PRO A 59 37.145 24.862 35.520 1.00 0.00 O ATOM 901 CB PRO A 59 36.178 27.478 37.361 1.00 0.00 C ATOM 902 CG PRO A 59 36.088 26.315 38.351 1.00 0.00 C ATOM 903 CD PRO A 59 34.934 25.469 37.804 1.00 0.00 C ATOM 0 HA PRO A 59 35.491 27.519 35.278 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.177 27.914 37.335 1.00 0.00 H new ATOM 0 HB3 PRO A 59 35.486 28.281 37.613 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.018 25.748 38.390 1.00 0.00 H new ATOM 0 HG3 PRO A 59 35.885 26.664 39.363 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.161 24.406 37.885 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.021 25.645 38.373 1.00 0.00 H new ATOM 911 N LEU A 60 37.970 26.824 34.813 1.00 0.00 N ATOM 912 CA LEU A 60 39.126 26.237 34.108 1.00 0.00 C ATOM 913 C LEU A 60 40.514 26.805 34.518 1.00 0.00 C ATOM 914 O LEU A 60 41.265 27.268 33.654 1.00 0.00 O ATOM 915 CB LEU A 60 38.834 26.325 32.595 1.00 0.00 C ATOM 916 CG LEU A 60 39.639 25.328 31.741 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.088 23.905 31.877 1.00 0.00 C ATOM 918 CD2 LEU A 60 39.561 25.744 30.272 1.00 0.00 C ATOM 0 H LEU A 60 37.957 27.844 34.801 1.00 0.00 H new ATOM 0 HA LEU A 60 39.227 25.195 34.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.770 26.152 32.430 1.00 0.00 H new ATOM 0 HB3 LEU A 60 39.049 27.337 32.252 1.00 0.00 H new ATOM 0 HG LEU A 60 40.671 25.338 32.092 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.678 23.226 31.262 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.144 23.591 32.919 1.00 0.00 H new ATOM 0 HD13 LEU A 60 38.049 23.884 31.547 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.130 25.041 29.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 38.520 25.744 29.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 39.977 26.744 30.155 1.00 0.00 H new ATOM 930 N PRO A 61 40.901 26.784 35.811 1.00 0.00 N ATOM 931 CA PRO A 61 42.178 27.345 36.263 1.00 0.00 C ATOM 932 C PRO A 61 43.419 26.534 35.842 1.00 0.00 C ATOM 933 O PRO A 61 44.464 27.138 35.596 1.00 0.00 O ATOM 934 CB PRO A 61 42.059 27.430 37.789 1.00 0.00 C ATOM 935 CG PRO A 61 41.097 26.297 38.139 1.00 0.00 C ATOM 936 CD PRO A 61 40.132 26.309 36.955 1.00 0.00 C ATOM 0 HA PRO A 61 42.341 28.315 35.793 1.00 0.00 H new ATOM 0 HB2 PRO A 61 43.026 27.299 38.274 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.671 28.398 38.107 1.00 0.00 H new ATOM 0 HG2 PRO A 61 41.612 25.341 38.234 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.584 26.477 39.083 1.00 0.00 H new ATOM 0 HD2 PRO A 61 39.732 25.313 36.769 1.00 0.00 H new ATOM 0 HD3 PRO A 61 39.282 26.962 37.152 1.00 0.00 H new ATOM 944 N ASN A 62 43.343 25.200 35.743 1.00 0.00 N ATOM 945 CA ASN A 62 44.515 24.336 35.528 1.00 0.00 C ATOM 946 C ASN A 62 44.358 23.365 34.345 1.00 0.00 C ATOM 947 O ASN A 62 45.223 23.325 33.465 1.00 0.00 O ATOM 948 CB ASN A 62 44.796 23.591 36.848 1.00 0.00 C ATOM 949 CG ASN A 62 46.045 22.721 36.853 1.00 0.00 C ATOM 950 OD1 ASN A 62 46.806 22.622 35.895 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.270 22.050 37.955 1.00 0.00 N ATOM 0 H ASN A 62 42.464 24.686 35.810 1.00 0.00 H new ATOM 0 HA ASN A 62 45.364 24.961 35.251 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.882 24.325 37.649 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.936 22.964 37.082 1.00 0.00 H new ATOM 0 HD21 ASN A 62 47.084 21.438 38.023 1.00 0.00 H new ATOM 0 HD22 ASN A 62 45.632 22.139 38.746 1.00 0.00 H new ATOM 958 N LYS A 63 43.278 22.575 34.338 1.00 0.00 N ATOM 959 CA LYS A 63 43.088 21.419 33.444 1.00 0.00 C ATOM 960 C LYS A 63 42.697 21.815 32.016 1.00 0.00 C ATOM 961 O LYS A 63 42.254 22.936 31.764 1.00 0.00 O ATOM 962 CB LYS A 63 42.100 20.424 34.085 1.00 0.00 C ATOM 963 CG LYS A 63 42.672 19.803 35.376 1.00 0.00 C ATOM 964 CD LYS A 63 41.743 18.734 35.968 1.00 0.00 C ATOM 965 CE LYS A 63 42.425 18.044 37.157 1.00 0.00 C ATOM 966 NZ LYS A 63 41.558 17.003 37.757 1.00 0.00 N ATOM 0 H LYS A 63 42.490 22.723 34.969 1.00 0.00 H new ATOM 0 HA LYS A 63 44.050 20.920 33.330 1.00 0.00 H new ATOM 0 HB2 LYS A 63 41.164 20.935 34.311 1.00 0.00 H new ATOM 0 HB3 LYS A 63 41.867 19.632 33.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 43.644 19.359 35.163 1.00 0.00 H new ATOM 0 HG3 LYS A 63 42.835 20.589 36.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 40.808 19.192 36.290 1.00 0.00 H new ATOM 0 HD3 LYS A 63 41.491 17.997 35.205 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.361 17.593 36.828 1.00 0.00 H new ATOM 0 HE3 LYS A 63 42.678 18.787 37.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.052 16.559 38.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 40.675 17.438 38.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.337 16.281 37.042 1.00 0.00 H new ATOM 980 N THR A 64 42.863 20.893 31.066 1.00 0.00 N ATOM 981 CA THR A 64 42.390 21.051 29.685 1.00 0.00 C ATOM 982 C THR A 64 40.899 20.723 29.568 1.00 0.00 C ATOM 983 O THR A 64 40.413 19.777 30.187 1.00 0.00 O ATOM 984 CB THR A 64 43.216 20.195 28.713 1.00 0.00 C ATOM 985 OG1 THR A 64 43.284 18.848 29.118 1.00 0.00 O ATOM 986 CG2 THR A 64 44.660 20.683 28.621 1.00 0.00 C ATOM 0 H THR A 64 43.335 20.004 31.234 1.00 0.00 H new ATOM 0 HA THR A 64 42.526 22.097 29.410 1.00 0.00 H new ATOM 0 HB THR A 64 42.707 20.284 27.753 1.00 0.00 H new ATOM 0 HG1 THR A 64 42.585 18.334 28.662 1.00 0.00 H new ATOM 0 HG21 THR A 64 45.213 20.053 27.924 1.00 0.00 H new ATOM 0 HG22 THR A 64 44.674 21.714 28.268 1.00 0.00 H new ATOM 0 HG23 THR A 64 45.125 20.631 29.605 1.00 0.00 H new ATOM 994 N CYS A 65 40.159 21.494 28.770 1.00 0.00 N ATOM 995 CA CYS A 65 38.702 21.386 28.640 1.00 0.00 C ATOM 996 C CYS A 65 38.298 20.359 27.561 1.00 0.00 C ATOM 997 O CYS A 65 37.745 20.721 26.518 1.00 0.00 O ATOM 998 CB CYS A 65 38.154 22.803 28.411 1.00 0.00 C ATOM 999 SG CYS A 65 36.355 23.042 28.454 1.00 0.00 S ATOM 0 H CYS A 65 40.562 22.225 28.184 1.00 0.00 H new ATOM 0 HA CYS A 65 38.253 20.990 29.551 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.595 23.457 29.164 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.513 23.146 27.441 1.00 0.00 H new ATOM 1004 N ASN A 66 38.604 19.076 27.789 1.00 0.00 N ATOM 1005 CA ASN A 66 38.436 17.981 26.819 1.00 0.00 C ATOM 1006 C ASN A 66 37.709 16.751 27.405 1.00 0.00 C ATOM 1007 O ASN A 66 37.910 16.371 28.558 1.00 0.00 O ATOM 1008 CB ASN A 66 39.817 17.606 26.242 1.00 0.00 C ATOM 1009 CG ASN A 66 40.688 16.863 27.242 1.00 0.00 C ATOM 1010 OD1 ASN A 66 41.208 17.438 28.189 1.00 0.00 O ATOM 1011 ND2 ASN A 66 40.839 15.570 27.098 1.00 0.00 N ATOM 0 H ASN A 66 38.987 18.759 28.680 1.00 0.00 H new ATOM 0 HA ASN A 66 37.787 18.337 26.019 1.00 0.00 H new ATOM 0 HB2 ASN A 66 39.680 16.987 25.355 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.331 18.512 25.922 1.00 0.00 H new ATOM 0 HD21 ASN A 66 41.390 15.042 27.775 1.00 0.00 H new ATOM 0 HD22 ASN A 66 40.406 15.091 26.309 1.00 0.00 H new