USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 175:sc= 0.0311 USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 31 GLN : amide:sc= 0.905 K(o=1.6,f=0.59) USER MOD Set 3.2: A 32 GLN : amide:sc= 0.701 K(o=1.6,f=0.59) USER MOD Single : A 1 LYS N :NH3+ 154:sc= 0.259 (180deg=0.0786) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -68:sc= 1.35 USER MOD Single : A 7 SER OG : rot 125:sc= 1.3 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+ 172:sc= 1.24 (180deg=1.19) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 24 TYR OH : rot -174:sc= 1.1 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -7:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -82:sc= 1.3 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 54 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.39) 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 26.214 33.195 38.673 1.00 0.00 N ATOM 2 CA LYS A 1 26.091 33.854 37.351 1.00 0.00 C ATOM 3 C LYS A 1 26.407 32.917 36.184 1.00 0.00 C ATOM 4 O LYS A 1 25.562 32.771 35.304 1.00 0.00 O ATOM 5 CB LYS A 1 26.935 35.143 37.257 1.00 0.00 C ATOM 6 CG LYS A 1 26.595 35.960 35.993 1.00 0.00 C ATOM 7 CD LYS A 1 27.612 37.077 35.735 1.00 0.00 C ATOM 8 CE LYS A 1 27.158 37.925 34.540 1.00 0.00 C ATOM 9 NZ LYS A 1 28.198 38.876 34.082 1.00 0.00 N ATOM 0 H1 LYS A 1 26.427 33.909 39.398 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.320 32.719 38.908 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.981 32.494 38.641 1.00 0.00 H new ATOM 0 HA LYS A 1 25.041 34.133 37.266 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.763 35.755 38.142 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.994 34.884 37.249 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.562 35.295 35.130 1.00 0.00 H new ATOM 0 HG3 LYS A 1 25.601 36.394 36.099 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.711 37.704 36.621 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.594 36.649 35.537 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.886 37.266 33.715 1.00 0.00 H new ATOM 0 HE3 LYS A 1 26.261 38.480 34.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 27.837 39.422 33.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 28.441 39.525 34.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.047 38.349 33.793 1.00 0.00 H new ATOM 25 N GLU A 2 27.617 32.359 36.081 1.00 0.00 N ATOM 26 CA GLU A 2 28.097 31.701 34.849 1.00 0.00 C ATOM 27 C GLU A 2 29.187 30.637 35.092 1.00 0.00 C ATOM 28 O GLU A 2 29.738 30.538 36.193 1.00 0.00 O ATOM 29 CB GLU A 2 28.585 32.767 33.845 1.00 0.00 C ATOM 30 CG GLU A 2 29.804 33.587 34.311 1.00 0.00 C ATOM 31 CD GLU A 2 30.282 34.611 33.268 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.894 34.519 32.075 1.00 0.00 O ATOM 33 OE2 GLU A 2 31.048 35.534 33.642 1.00 0.00 O ATOM 0 H GLU A 2 28.294 32.347 36.844 1.00 0.00 H new ATOM 0 HA GLU A 2 27.248 31.158 34.434 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.835 32.273 32.906 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.763 33.452 33.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.551 34.109 35.234 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.623 32.907 34.544 1.00 0.00 H new ATOM 40 N GLY A 3 29.495 29.822 34.077 1.00 0.00 N ATOM 41 CA GLY A 3 30.630 28.890 34.097 1.00 0.00 C ATOM 42 C GLY A 3 30.607 27.830 32.990 1.00 0.00 C ATOM 43 O GLY A 3 29.637 27.703 32.238 1.00 0.00 O ATOM 0 H GLY A 3 28.959 29.790 33.210 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.554 29.462 34.014 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.652 28.386 35.063 1.00 0.00 H new ATOM 47 N TYR A 4 31.681 27.045 32.903 1.00 0.00 N ATOM 48 CA TYR A 4 31.832 25.967 31.919 1.00 0.00 C ATOM 49 C TYR A 4 30.922 24.760 32.236 1.00 0.00 C ATOM 50 O TYR A 4 30.855 24.299 33.381 1.00 0.00 O ATOM 51 CB TYR A 4 33.316 25.583 31.840 1.00 0.00 C ATOM 52 CG TYR A 4 33.672 24.587 30.751 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.372 23.223 30.923 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.325 25.013 29.576 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.742 22.286 29.947 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.693 24.077 28.587 1.00 0.00 C ATOM 57 CZ TYR A 4 34.426 22.703 28.788 1.00 0.00 C ATOM 58 OH TYR A 4 34.834 21.765 27.897 1.00 0.00 O ATOM 0 H TYR A 4 32.485 27.140 33.523 1.00 0.00 H new ATOM 0 HA TYR A 4 31.506 26.320 30.940 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.901 26.490 31.685 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.619 25.168 32.802 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.854 22.896 31.812 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.544 26.061 29.433 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.502 21.242 30.084 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.177 24.408 27.680 1.00 0.00 H new ATOM 0 HH TYR A 4 35.549 21.225 28.295 1.00 0.00 H new ATOM 68 N LEU A 5 30.245 24.223 31.213 1.00 0.00 N ATOM 69 CA LEU A 5 29.299 23.105 31.335 1.00 0.00 C ATOM 70 C LEU A 5 30.013 21.789 31.705 1.00 0.00 C ATOM 71 O LEU A 5 30.782 21.254 30.911 1.00 0.00 O ATOM 72 CB LEU A 5 28.525 22.988 30.005 1.00 0.00 C ATOM 73 CG LEU A 5 27.538 21.807 29.931 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.420 21.901 30.969 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.882 21.755 28.552 1.00 0.00 C ATOM 0 H LEU A 5 30.342 24.561 30.255 1.00 0.00 H new ATOM 0 HA LEU A 5 28.600 23.299 32.149 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.974 23.914 29.839 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.243 22.894 29.190 1.00 0.00 H new ATOM 0 HG LEU A 5 28.125 20.910 30.129 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.757 21.042 30.868 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.852 21.910 31.970 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.853 22.818 30.811 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.187 20.917 28.511 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.341 22.684 28.371 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.649 21.627 27.789 1.00 0.00 H new ATOM 87 N VAL A 6 29.738 21.240 32.892 1.00 0.00 N ATOM 88 CA VAL A 6 30.402 20.024 33.400 1.00 0.00 C ATOM 89 C VAL A 6 29.701 18.732 32.956 1.00 0.00 C ATOM 90 O VAL A 6 28.470 18.640 32.979 1.00 0.00 O ATOM 91 CB VAL A 6 30.594 20.111 34.929 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.296 19.996 35.738 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.608 19.083 35.437 1.00 0.00 C ATOM 0 H VAL A 6 29.046 21.625 33.535 1.00 0.00 H new ATOM 0 HA VAL A 6 31.392 19.975 32.948 1.00 0.00 H new ATOM 0 HB VAL A 6 30.980 21.117 35.094 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.523 20.067 36.802 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.619 20.803 35.456 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.822 19.036 35.531 1.00 0.00 H new ATOM 0 HG21 VAL A 6 31.713 19.179 36.518 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.261 18.079 35.194 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.573 19.258 34.962 1.00 0.00 H new ATOM 103 N SER A 7 30.471 17.709 32.581 1.00 0.00 N ATOM 104 CA SER A 7 29.978 16.350 32.294 1.00 0.00 C ATOM 105 C SER A 7 29.640 15.580 33.584 1.00 0.00 C ATOM 106 O SER A 7 30.318 15.752 34.598 1.00 0.00 O ATOM 107 CB SER A 7 31.017 15.583 31.466 1.00 0.00 C ATOM 108 OG SER A 7 31.163 16.172 30.186 1.00 0.00 O ATOM 0 H SER A 7 31.480 17.799 32.464 1.00 0.00 H new ATOM 0 HA SER A 7 29.056 16.441 31.720 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.976 15.583 31.984 1.00 0.00 H new ATOM 0 HB3 SER A 7 30.711 14.542 31.361 1.00 0.00 H new ATOM 0 HG SER A 7 32.105 16.394 30.034 1.00 0.00 H new ATOM 114 N LYS A 8 28.620 14.706 33.553 1.00 0.00 N ATOM 115 CA LYS A 8 28.033 13.999 34.718 1.00 0.00 C ATOM 116 C LYS A 8 29.051 13.365 35.681 1.00 0.00 C ATOM 117 O LYS A 8 28.883 13.479 36.899 1.00 0.00 O ATOM 118 CB LYS A 8 27.068 12.930 34.168 1.00 0.00 C ATOM 119 CG LYS A 8 26.372 12.067 35.235 1.00 0.00 C ATOM 120 CD LYS A 8 25.475 11.027 34.551 1.00 0.00 C ATOM 121 CE LYS A 8 24.770 10.131 35.574 1.00 0.00 C ATOM 122 NZ LYS A 8 23.787 9.252 34.902 1.00 0.00 N ATOM 0 H LYS A 8 28.157 14.458 32.679 1.00 0.00 H new ATOM 0 HA LYS A 8 27.522 14.744 35.329 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.304 13.426 33.570 1.00 0.00 H new ATOM 0 HB3 LYS A 8 27.622 12.274 33.497 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.116 11.568 35.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.777 12.697 35.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.731 11.535 33.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.076 10.412 33.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.505 9.526 36.104 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.267 10.746 36.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.318 8.651 35.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.076 9.835 34.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.276 8.652 34.207 1.00 0.00 H new ATOM 136 N SER A 9 30.086 12.720 35.145 1.00 0.00 N ATOM 137 CA SER A 9 31.134 11.994 35.885 1.00 0.00 C ATOM 138 C SER A 9 32.558 12.226 35.347 1.00 0.00 C ATOM 139 O SER A 9 33.505 11.648 35.889 1.00 0.00 O ATOM 140 CB SER A 9 30.851 10.485 35.837 1.00 0.00 C ATOM 141 OG SER A 9 29.581 10.156 36.369 1.00 0.00 O ATOM 0 H SER A 9 30.229 12.684 34.136 1.00 0.00 H new ATOM 0 HA SER A 9 31.100 12.385 36.902 1.00 0.00 H new ATOM 0 HB2 SER A 9 30.910 10.140 34.805 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.624 9.955 36.395 1.00 0.00 H new ATOM 0 HG SER A 9 29.445 9.187 36.316 1.00 0.00 H new ATOM 147 N THR A 10 32.728 13.011 34.275 1.00 0.00 N ATOM 148 CA THR A 10 33.955 13.057 33.446 1.00 0.00 C ATOM 149 C THR A 10 34.470 14.470 33.117 1.00 0.00 C ATOM 150 O THR A 10 35.169 14.662 32.119 1.00 0.00 O ATOM 151 CB THR A 10 33.780 12.230 32.157 1.00 0.00 C ATOM 152 OG1 THR A 10 32.667 12.698 31.429 1.00 0.00 O ATOM 153 CG2 THR A 10 33.552 10.747 32.447 1.00 0.00 C ATOM 0 H THR A 10 32.003 13.649 33.947 1.00 0.00 H new ATOM 0 HA THR A 10 34.729 12.611 34.071 1.00 0.00 H new ATOM 0 HB THR A 10 34.702 12.344 31.587 1.00 0.00 H new ATOM 0 HG1 THR A 10 32.565 12.168 30.611 1.00 0.00 H new ATOM 0 HG21 THR A 10 33.434 10.206 31.508 1.00 0.00 H new ATOM 0 HG22 THR A 10 34.407 10.347 32.991 1.00 0.00 H new ATOM 0 HG23 THR A 10 32.651 10.628 33.049 1.00 0.00 H new ATOM 161 N GLY A 11 34.153 15.477 33.937 1.00 0.00 N ATOM 162 CA GLY A 11 34.760 16.815 33.867 1.00 0.00 C ATOM 163 C GLY A 11 34.446 17.593 32.584 1.00 0.00 C ATOM 164 O GLY A 11 33.338 18.106 32.429 1.00 0.00 O ATOM 0 H GLY A 11 33.459 15.387 34.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.420 17.399 34.722 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.841 16.714 33.959 1.00 0.00 H new ATOM 168 N CYS A 12 35.430 17.696 31.683 1.00 0.00 N ATOM 169 CA CYS A 12 35.368 18.466 30.437 1.00 0.00 C ATOM 170 C CYS A 12 34.222 18.024 29.500 1.00 0.00 C ATOM 171 O CYS A 12 33.717 16.896 29.592 1.00 0.00 O ATOM 172 CB CYS A 12 36.737 18.357 29.750 1.00 0.00 C ATOM 173 SG CYS A 12 37.051 19.541 28.413 1.00 0.00 S ATOM 0 H CYS A 12 36.327 17.226 31.808 1.00 0.00 H new ATOM 0 HA CYS A 12 35.142 19.505 30.677 1.00 0.00 H new ATOM 0 HB2 CYS A 12 37.512 18.480 30.507 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.841 17.349 29.348 1.00 0.00 H new ATOM 178 N LYS A 13 33.808 18.906 28.581 1.00 0.00 N ATOM 179 CA LYS A 13 32.687 18.698 27.646 1.00 0.00 C ATOM 180 C LYS A 13 33.175 18.469 26.211 1.00 0.00 C ATOM 181 O LYS A 13 34.358 18.626 25.896 1.00 0.00 O ATOM 182 CB LYS A 13 31.726 19.900 27.772 1.00 0.00 C ATOM 183 CG LYS A 13 30.281 19.727 27.267 1.00 0.00 C ATOM 184 CD LYS A 13 29.485 18.643 28.006 1.00 0.00 C ATOM 185 CE LYS A 13 28.099 18.504 27.368 1.00 0.00 C ATOM 186 NZ LYS A 13 27.263 17.516 28.082 1.00 0.00 N ATOM 0 H LYS A 13 34.256 19.814 28.461 1.00 0.00 H new ATOM 0 HA LYS A 13 32.148 17.787 27.907 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.681 20.182 28.824 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.169 20.739 27.236 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.757 20.678 27.365 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.305 19.484 26.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.016 17.692 27.960 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.388 18.903 29.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.599 19.473 27.370 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.207 18.203 26.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.293 17.547 27.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.657 16.563 27.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.250 17.741 29.097 1.00 0.00 H new ATOM 200 N TYR A 14 32.240 18.091 25.346 1.00 0.00 N ATOM 201 CA TYR A 14 32.462 17.827 23.922 1.00 0.00 C ATOM 202 C TYR A 14 32.198 19.083 23.078 1.00 0.00 C ATOM 203 O TYR A 14 31.288 19.872 23.363 1.00 0.00 O ATOM 204 CB TYR A 14 31.605 16.644 23.449 1.00 0.00 C ATOM 205 CG TYR A 14 31.497 15.458 24.395 1.00 0.00 C ATOM 206 CD1 TYR A 14 32.625 14.940 25.064 1.00 0.00 C ATOM 207 CD2 TYR A 14 30.235 14.867 24.601 1.00 0.00 C ATOM 208 CE1 TYR A 14 32.492 13.842 25.936 1.00 0.00 C ATOM 209 CE2 TYR A 14 30.099 13.767 25.465 1.00 0.00 C ATOM 210 CZ TYR A 14 31.228 13.247 26.132 1.00 0.00 C ATOM 211 OH TYR A 14 31.098 12.172 26.956 1.00 0.00 O ATOM 0 H TYR A 14 31.268 17.954 25.624 1.00 0.00 H new ATOM 0 HA TYR A 14 33.509 17.557 23.786 1.00 0.00 H new ATOM 0 HB2 TYR A 14 30.599 17.012 23.248 1.00 0.00 H new ATOM 0 HB3 TYR A 14 32.010 16.288 22.502 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.595 15.387 24.907 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.368 15.261 24.092 1.00 0.00 H new ATOM 0 HE1 TYR A 14 33.357 13.456 26.454 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.128 13.319 25.619 1.00 0.00 H new ATOM 0 HH TYR A 14 30.160 11.888 26.978 1.00 0.00 H new ATOM 221 N GLU A 15 32.993 19.265 22.031 1.00 0.00 N ATOM 222 CA GLU A 15 33.128 20.523 21.292 1.00 0.00 C ATOM 223 C GLU A 15 31.938 20.922 20.401 1.00 0.00 C ATOM 224 O GLU A 15 31.111 20.107 19.978 1.00 0.00 O ATOM 225 CB GLU A 15 34.433 20.497 20.487 1.00 0.00 C ATOM 226 CG GLU A 15 34.382 19.493 19.328 1.00 0.00 C ATOM 227 CD GLU A 15 35.791 19.058 18.951 1.00 0.00 C ATOM 228 OE1 GLU A 15 36.494 19.816 18.243 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.208 17.948 19.355 1.00 0.00 O ATOM 0 H GLU A 15 33.582 18.520 21.658 1.00 0.00 H new ATOM 0 HA GLU A 15 33.146 21.304 22.052 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.634 21.493 20.093 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.261 20.243 21.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.789 18.624 19.615 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.890 19.945 18.467 1.00 0.00 H new ATOM 236 N CYS A 16 31.900 22.216 20.100 1.00 0.00 N ATOM 237 CA CYS A 16 30.880 22.924 19.341 1.00 0.00 C ATOM 238 C CYS A 16 31.461 23.365 17.984 1.00 0.00 C ATOM 239 O CYS A 16 32.508 24.018 17.935 1.00 0.00 O ATOM 240 CB CYS A 16 30.456 24.093 20.234 1.00 0.00 C ATOM 241 SG CYS A 16 29.057 25.098 19.696 1.00 0.00 S ATOM 0 H CYS A 16 32.642 22.845 20.406 1.00 0.00 H new ATOM 0 HA CYS A 16 30.011 22.313 19.098 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.221 23.693 21.220 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.316 24.752 20.354 1.00 0.00 H new ATOM 246 N LEU A 17 30.812 22.987 16.878 1.00 0.00 N ATOM 247 CA LEU A 17 31.317 23.184 15.510 1.00 0.00 C ATOM 248 C LEU A 17 31.391 24.671 15.099 1.00 0.00 C ATOM 249 O LEU A 17 32.269 25.049 14.313 1.00 0.00 O ATOM 250 CB LEU A 17 30.421 22.367 14.554 1.00 0.00 C ATOM 251 CG LEU A 17 30.932 22.250 13.104 1.00 0.00 C ATOM 252 CD1 LEU A 17 32.210 21.411 13.007 1.00 0.00 C ATOM 253 CD2 LEU A 17 29.867 21.585 12.232 1.00 0.00 C ATOM 0 H LEU A 17 29.903 22.526 16.906 1.00 0.00 H new ATOM 0 HA LEU A 17 32.347 22.831 15.458 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.305 21.363 14.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.430 22.821 14.536 1.00 0.00 H new ATOM 0 HG LEU A 17 31.148 23.262 12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 17 32.532 21.357 11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.995 21.873 13.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 32.014 20.405 13.379 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.233 21.505 11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.650 20.589 12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.958 22.186 12.246 1.00 0.00 H new ATOM 265 N LYS A 18 30.514 25.517 15.654 1.00 0.00 N ATOM 266 CA LYS A 18 30.454 26.971 15.428 1.00 0.00 C ATOM 267 C LYS A 18 30.310 27.722 16.758 1.00 0.00 C ATOM 268 O LYS A 18 29.390 27.452 17.527 1.00 0.00 O ATOM 269 CB LYS A 18 29.281 27.245 14.471 1.00 0.00 C ATOM 270 CG LYS A 18 29.155 28.719 14.062 1.00 0.00 C ATOM 271 CD LYS A 18 27.990 28.880 13.075 1.00 0.00 C ATOM 272 CE LYS A 18 27.633 30.349 12.846 1.00 0.00 C ATOM 273 NZ LYS A 18 26.733 30.883 13.893 1.00 0.00 N ATOM 0 H LYS A 18 29.795 25.195 16.301 1.00 0.00 H new ATOM 0 HA LYS A 18 31.378 27.333 14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.404 26.637 13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.353 26.928 14.946 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.987 29.339 14.943 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.083 29.061 13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.254 28.418 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.117 28.350 13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.547 30.942 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.156 30.456 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.521 31.881 13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.848 30.336 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.196 30.807 14.821 1.00 0.00 H new ATOM 287 N LEU A 19 31.211 28.668 17.035 1.00 0.00 N ATOM 288 CA LEU A 19 31.239 29.417 18.300 1.00 0.00 C ATOM 289 C LEU A 19 30.089 30.442 18.418 1.00 0.00 C ATOM 290 O LEU A 19 29.279 30.610 17.500 1.00 0.00 O ATOM 291 CB LEU A 19 32.631 30.052 18.504 1.00 0.00 C ATOM 292 CG LEU A 19 33.807 29.056 18.595 1.00 0.00 C ATOM 293 CD1 LEU A 19 35.106 29.832 18.810 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.650 28.061 19.749 1.00 0.00 C ATOM 0 H LEU A 19 31.948 28.940 16.385 1.00 0.00 H new ATOM 0 HA LEU A 19 31.066 28.712 19.113 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.822 30.739 17.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.610 30.647 19.417 1.00 0.00 H new ATOM 0 HG LEU A 19 33.823 28.493 17.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.940 29.134 18.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.266 30.512 17.973 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.039 30.404 19.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.505 27.385 19.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.598 28.604 20.693 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.735 27.485 19.611 1.00 0.00 H new ATOM 306 N GLY A 20 29.988 31.115 19.566 1.00 0.00 N ATOM 307 CA GLY A 20 28.902 32.049 19.877 1.00 0.00 C ATOM 308 C GLY A 20 27.601 31.338 20.253 1.00 0.00 C ATOM 309 O GLY A 20 27.627 30.244 20.817 1.00 0.00 O ATOM 0 H GLY A 20 30.670 31.025 20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.209 32.695 20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.724 32.692 19.015 1.00 0.00 H new ATOM 313 N ASP A 21 26.451 31.950 19.973 1.00 0.00 N ATOM 314 CA ASP A 21 25.151 31.336 20.279 1.00 0.00 C ATOM 315 C ASP A 21 24.902 30.088 19.412 1.00 0.00 C ATOM 316 O ASP A 21 24.980 30.171 18.184 1.00 0.00 O ATOM 317 CB ASP A 21 24.027 32.366 20.108 1.00 0.00 C ATOM 318 CG ASP A 21 22.729 31.831 20.703 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.599 31.874 21.950 1.00 0.00 O ATOM 320 OD2 ASP A 21 21.886 31.258 19.972 1.00 0.00 O ATOM 0 H ASP A 21 26.389 32.869 19.535 1.00 0.00 H new ATOM 0 HA ASP A 21 25.163 31.008 21.318 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.302 33.300 20.597 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.886 32.589 19.051 1.00 0.00 H new ATOM 325 N ASN A 22 24.618 28.930 20.018 1.00 0.00 N ATOM 326 CA ASN A 22 24.388 27.673 19.295 1.00 0.00 C ATOM 327 C ASN A 22 23.501 26.714 20.114 1.00 0.00 C ATOM 328 O ASN A 22 23.777 26.470 21.294 1.00 0.00 O ATOM 329 CB ASN A 22 25.752 27.034 18.949 1.00 0.00 C ATOM 330 CG ASN A 22 25.697 26.264 17.645 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.450 25.066 17.605 1.00 0.00 O ATOM 332 ND2 ASN A 22 25.882 26.933 16.535 1.00 0.00 N ATOM 0 H ASN A 22 24.541 28.837 21.031 1.00 0.00 H new ATOM 0 HA ASN A 22 23.851 27.881 18.369 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.511 27.813 18.880 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.055 26.365 19.754 1.00 0.00 H new ATOM 0 HD21 ASN A 22 25.820 26.456 15.636 1.00 0.00 H new ATOM 0 HD22 ASN A 22 26.088 27.931 16.570 1.00 0.00 H new ATOM 339 N ASP A 23 22.455 26.141 19.509 1.00 0.00 N ATOM 340 CA ASP A 23 21.445 25.362 20.248 1.00 0.00 C ATOM 341 C ASP A 23 22.025 24.101 20.911 1.00 0.00 C ATOM 342 O ASP A 23 21.604 23.741 22.007 1.00 0.00 O ATOM 343 CB ASP A 23 20.263 25.019 19.331 1.00 0.00 C ATOM 344 CG ASP A 23 19.059 24.507 20.128 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.289 25.362 20.637 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.881 23.265 20.212 1.00 0.00 O ATOM 0 H ASP A 23 22.282 26.200 18.506 1.00 0.00 H new ATOM 0 HA ASP A 23 21.088 25.991 21.064 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.974 25.903 18.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.570 24.262 18.609 1.00 0.00 H new ATOM 351 N TYR A 24 23.059 23.501 20.311 1.00 0.00 N ATOM 352 CA TYR A 24 23.885 22.426 20.881 1.00 0.00 C ATOM 353 C TYR A 24 24.450 22.728 22.288 1.00 0.00 C ATOM 354 O TYR A 24 24.669 21.802 23.074 1.00 0.00 O ATOM 355 CB TYR A 24 25.028 22.155 19.887 1.00 0.00 C ATOM 356 CG TYR A 24 26.124 21.257 20.422 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.884 19.880 20.573 1.00 0.00 C ATOM 358 CD2 TYR A 24 27.349 21.813 20.842 1.00 0.00 C ATOM 359 CE1 TYR A 24 26.850 19.063 21.190 1.00 0.00 C ATOM 360 CE2 TYR A 24 28.326 20.994 21.437 1.00 0.00 C ATOM 361 CZ TYR A 24 28.068 19.621 21.628 1.00 0.00 C ATOM 362 OH TYR A 24 28.969 18.838 22.271 1.00 0.00 O ATOM 0 H TYR A 24 23.358 23.762 19.371 1.00 0.00 H new ATOM 0 HA TYR A 24 23.249 21.553 21.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.611 21.702 18.988 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.468 23.107 19.590 1.00 0.00 H new ATOM 0 HD1 TYR A 24 24.960 19.450 20.216 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.538 22.868 20.707 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.658 18.009 21.328 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.271 21.416 21.747 1.00 0.00 H new ATOM 0 HH TYR A 24 29.712 19.390 22.592 1.00 0.00 H new ATOM 372 N CYS A 25 24.669 24.000 22.632 1.00 0.00 N ATOM 373 CA CYS A 25 25.044 24.439 23.980 1.00 0.00 C ATOM 374 C CYS A 25 23.801 24.766 24.824 1.00 0.00 C ATOM 375 O CYS A 25 23.621 24.221 25.916 1.00 0.00 O ATOM 376 CB CYS A 25 26.006 25.627 23.839 1.00 0.00 C ATOM 377 SG CYS A 25 26.440 26.558 25.334 1.00 0.00 S ATOM 0 H CYS A 25 24.589 24.770 21.968 1.00 0.00 H new ATOM 0 HA CYS A 25 25.553 23.639 24.518 1.00 0.00 H new ATOM 0 HB2 CYS A 25 26.931 25.256 23.397 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.570 26.326 23.126 1.00 0.00 H new ATOM 382 N LEU A 26 22.902 25.602 24.291 1.00 0.00 N ATOM 383 CA LEU A 26 21.724 26.097 25.011 1.00 0.00 C ATOM 384 C LEU A 26 20.817 24.960 25.512 1.00 0.00 C ATOM 385 O LEU A 26 20.394 24.984 26.670 1.00 0.00 O ATOM 386 CB LEU A 26 20.996 27.091 24.085 1.00 0.00 C ATOM 387 CG LEU A 26 19.859 27.947 24.680 1.00 0.00 C ATOM 388 CD1 LEU A 26 18.545 27.180 24.841 1.00 0.00 C ATOM 389 CD2 LEU A 26 20.247 28.598 26.008 1.00 0.00 C ATOM 0 H LEU A 26 22.973 25.957 23.338 1.00 0.00 H new ATOM 0 HA LEU A 26 22.032 26.610 25.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.743 27.770 23.674 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.584 26.526 23.249 1.00 0.00 H new ATOM 0 HG LEU A 26 19.694 28.735 23.945 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.788 27.840 25.264 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.211 26.822 23.867 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.699 26.331 25.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.411 29.188 26.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.498 27.824 26.733 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.110 29.247 25.857 1.00 0.00 H new ATOM 401 N ARG A 27 20.596 23.915 24.697 1.00 0.00 N ATOM 402 CA ARG A 27 19.778 22.746 25.068 1.00 0.00 C ATOM 403 C ARG A 27 20.299 22.017 26.308 1.00 0.00 C ATOM 404 O ARG A 27 19.496 21.469 27.063 1.00 0.00 O ATOM 405 CB ARG A 27 19.623 21.793 23.864 1.00 0.00 C ATOM 406 CG ARG A 27 20.875 20.959 23.528 1.00 0.00 C ATOM 407 CD ARG A 27 20.690 20.074 22.289 1.00 0.00 C ATOM 408 NE ARG A 27 20.449 20.858 21.063 1.00 0.00 N ATOM 409 CZ ARG A 27 20.733 20.510 19.823 1.00 0.00 C ATOM 410 NH1 ARG A 27 21.408 19.437 19.515 1.00 0.00 N ATOM 411 NH2 ARG A 27 20.316 21.278 18.864 1.00 0.00 N ATOM 0 H ARG A 27 20.983 23.856 23.755 1.00 0.00 H new ATOM 0 HA ARG A 27 18.792 23.120 25.343 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.794 21.113 24.062 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.350 22.381 22.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.719 21.630 23.366 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.126 20.331 24.382 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.578 19.456 22.152 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.852 19.396 22.453 1.00 0.00 H new ATOM 0 HE ARG A 27 20.014 21.772 21.188 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.745 18.818 20.252 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.598 19.217 18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.786 22.122 19.080 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.519 21.038 17.894 1.00 0.00 H new ATOM 425 N GLU A 28 21.611 22.032 26.551 1.00 0.00 N ATOM 426 CA GLU A 28 22.218 21.387 27.719 1.00 0.00 C ATOM 427 C GLU A 28 22.282 22.327 28.929 1.00 0.00 C ATOM 428 O GLU A 28 22.019 21.874 30.040 1.00 0.00 O ATOM 429 CB GLU A 28 23.576 20.760 27.373 1.00 0.00 C ATOM 430 CG GLU A 28 23.413 19.658 26.317 1.00 0.00 C ATOM 431 CD GLU A 28 24.652 18.764 26.202 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.745 17.763 26.950 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.521 19.023 25.333 1.00 0.00 O ATOM 0 H GLU A 28 22.286 22.494 25.941 1.00 0.00 H new ATOM 0 HA GLU A 28 21.566 20.566 28.016 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.253 21.529 27.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.030 20.344 28.273 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.548 19.044 26.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.208 20.115 25.349 1.00 0.00 H new ATOM 440 N CYS A 29 22.479 23.639 28.741 1.00 0.00 N ATOM 441 CA CYS A 29 22.265 24.611 29.824 1.00 0.00 C ATOM 442 C CYS A 29 20.822 24.528 30.366 1.00 0.00 C ATOM 443 O CYS A 29 20.614 24.470 31.579 1.00 0.00 O ATOM 444 CB CYS A 29 22.585 26.036 29.346 1.00 0.00 C ATOM 445 SG CYS A 29 24.273 26.324 28.747 1.00 0.00 S ATOM 0 H CYS A 29 22.783 24.050 27.858 1.00 0.00 H new ATOM 0 HA CYS A 29 22.945 24.362 30.639 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.890 26.293 28.546 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.392 26.724 30.169 1.00 0.00 H new ATOM 450 N LYS A 30 19.830 24.424 29.470 1.00 0.00 N ATOM 451 CA LYS A 30 18.405 24.253 29.802 1.00 0.00 C ATOM 452 C LYS A 30 18.109 22.910 30.488 1.00 0.00 C ATOM 453 O LYS A 30 17.345 22.878 31.452 1.00 0.00 O ATOM 454 CB LYS A 30 17.596 24.457 28.509 1.00 0.00 C ATOM 455 CG LYS A 30 16.082 24.576 28.736 1.00 0.00 C ATOM 456 CD LYS A 30 15.374 24.861 27.402 1.00 0.00 C ATOM 457 CE LYS A 30 13.851 24.910 27.565 1.00 0.00 C ATOM 458 NZ LYS A 30 13.181 25.100 26.258 1.00 0.00 N ATOM 0 H LYS A 30 20.000 24.457 28.465 1.00 0.00 H new ATOM 0 HA LYS A 30 18.108 24.998 30.540 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.951 25.358 28.008 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.788 23.622 27.836 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.697 23.654 29.172 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.874 25.376 29.446 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.727 25.810 26.999 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.637 24.089 26.679 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.501 23.986 28.025 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.580 25.724 28.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.151 25.130 26.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.499 25.994 25.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.422 24.310 25.626 1.00 0.00 H new ATOM 472 N GLN A 31 18.752 21.821 30.061 1.00 0.00 N ATOM 473 CA GLN A 31 18.623 20.487 30.674 1.00 0.00 C ATOM 474 C GLN A 31 19.224 20.418 32.090 1.00 0.00 C ATOM 475 O GLN A 31 18.626 19.829 32.992 1.00 0.00 O ATOM 476 CB GLN A 31 19.322 19.477 29.752 1.00 0.00 C ATOM 477 CG GLN A 31 19.212 18.008 30.182 1.00 0.00 C ATOM 478 CD GLN A 31 20.128 17.157 29.313 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.802 16.818 28.176 1.00 0.00 O ATOM 480 NE2 GLN A 31 21.323 16.854 29.772 1.00 0.00 N ATOM 0 H GLN A 31 19.390 21.837 29.265 1.00 0.00 H new ATOM 0 HA GLN A 31 17.563 20.257 30.784 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.905 19.577 28.750 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.378 19.741 29.686 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.487 17.903 31.231 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.181 17.666 30.087 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.594 17.135 30.714 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.979 16.338 29.185 1.00 0.00 H new ATOM 489 N GLN A 32 20.407 21.010 32.292 1.00 0.00 N ATOM 490 CA GLN A 32 21.145 20.919 33.554 1.00 0.00 C ATOM 491 C GLN A 32 20.714 21.974 34.585 1.00 0.00 C ATOM 492 O GLN A 32 20.720 21.676 35.780 1.00 0.00 O ATOM 493 CB GLN A 32 22.656 21.023 33.286 1.00 0.00 C ATOM 494 CG GLN A 32 23.248 19.880 32.439 1.00 0.00 C ATOM 495 CD GLN A 32 22.966 18.488 32.989 1.00 0.00 C ATOM 496 OE1 GLN A 32 22.320 17.667 32.355 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.467 18.163 34.160 1.00 0.00 N ATOM 0 H GLN A 32 20.880 21.568 31.581 1.00 0.00 H new ATOM 0 HA GLN A 32 20.909 19.947 33.988 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.856 21.969 32.783 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.178 21.054 34.242 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.848 19.947 31.427 1.00 0.00 H new ATOM 0 HG3 GLN A 32 24.327 20.018 32.365 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.007 18.846 34.691 1.00 0.00 H new ATOM 0 HE22 GLN A 32 23.316 17.227 34.537 1.00 0.00 H new ATOM 506 N TYR A 33 20.331 23.181 34.154 1.00 0.00 N ATOM 507 CA TYR A 33 20.091 24.341 35.032 1.00 0.00 C ATOM 508 C TYR A 33 18.701 24.986 34.854 1.00 0.00 C ATOM 509 O TYR A 33 18.409 26.030 35.451 1.00 0.00 O ATOM 510 CB TYR A 33 21.228 25.358 34.838 1.00 0.00 C ATOM 511 CG TYR A 33 22.623 24.752 34.851 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.132 24.170 36.027 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.392 24.732 33.671 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.411 23.576 36.028 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.661 24.122 33.662 1.00 0.00 C ATOM 516 CZ TYR A 33 25.174 23.545 34.841 1.00 0.00 C ATOM 517 OH TYR A 33 26.399 22.954 34.830 1.00 0.00 O ATOM 0 H TYR A 33 20.175 23.387 33.167 1.00 0.00 H new ATOM 0 HA TYR A 33 20.090 23.981 36.061 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.079 25.875 33.890 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.165 26.110 35.625 1.00 0.00 H new ATOM 0 HD1 TYR A 33 22.541 24.178 36.931 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.007 25.186 32.770 1.00 0.00 H new ATOM 0 HE1 TYR A 33 24.806 23.145 36.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.241 24.096 32.752 1.00 0.00 H new ATOM 0 HH TYR A 33 26.648 22.701 35.743 1.00 0.00 H new ATOM 527 N GLY A 34 17.829 24.362 34.062 1.00 0.00 N ATOM 528 CA GLY A 34 16.435 24.758 33.872 1.00 0.00 C ATOM 529 C GLY A 34 16.218 25.964 32.953 1.00 0.00 C ATOM 530 O GLY A 34 17.163 26.588 32.453 1.00 0.00 O ATOM 0 H GLY A 34 18.083 23.538 33.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.885 23.909 33.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.002 24.982 34.847 1.00 0.00 H new ATOM 534 N LYS A 35 14.941 26.292 32.722 1.00 0.00 N ATOM 535 CA LYS A 35 14.507 27.261 31.699 1.00 0.00 C ATOM 536 C LYS A 35 15.004 28.702 31.878 1.00 0.00 C ATOM 537 O LYS A 35 15.100 29.412 30.876 1.00 0.00 O ATOM 538 CB LYS A 35 12.978 27.201 31.511 1.00 0.00 C ATOM 539 CG LYS A 35 12.150 27.534 32.764 1.00 0.00 C ATOM 540 CD LYS A 35 10.675 27.736 32.387 1.00 0.00 C ATOM 541 CE LYS A 35 9.800 27.882 33.635 1.00 0.00 C ATOM 542 NZ LYS A 35 8.428 28.308 33.279 1.00 0.00 N ATOM 0 H LYS A 35 14.166 25.887 33.247 1.00 0.00 H new ATOM 0 HA LYS A 35 15.004 26.938 30.784 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.698 27.892 30.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.709 26.201 31.173 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.240 26.728 33.493 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.539 28.436 33.237 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.575 28.624 31.763 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.329 26.889 31.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.762 26.932 34.169 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.246 28.611 34.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.857 28.399 34.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.465 29.225 32.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.996 27.599 32.652 1.00 0.00 H new ATOM 556 N SER A 36 15.385 29.133 33.086 1.00 0.00 N ATOM 557 CA SER A 36 15.886 30.502 33.324 1.00 0.00 C ATOM 558 C SER A 36 17.339 30.747 32.872 1.00 0.00 C ATOM 559 O SER A 36 17.799 31.888 32.893 1.00 0.00 O ATOM 560 CB SER A 36 15.683 30.933 34.783 1.00 0.00 C ATOM 561 OG SER A 36 16.515 30.231 35.697 1.00 0.00 O ATOM 0 H SER A 36 15.357 28.552 33.924 1.00 0.00 H new ATOM 0 HA SER A 36 15.274 31.134 32.680 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.880 32.002 34.870 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.640 30.778 35.059 1.00 0.00 H new ATOM 0 HG SER A 36 16.399 30.602 36.597 1.00 0.00 H new ATOM 567 N SER A 37 18.060 29.703 32.450 1.00 0.00 N ATOM 568 CA SER A 37 19.468 29.763 32.024 1.00 0.00 C ATOM 569 C SER A 37 19.695 30.396 30.636 1.00 0.00 C ATOM 570 O SER A 37 18.768 30.583 29.840 1.00 0.00 O ATOM 571 CB SER A 37 20.063 28.346 32.062 1.00 0.00 C ATOM 572 OG SER A 37 19.367 27.480 31.181 1.00 0.00 O ATOM 0 H SER A 37 17.670 28.762 32.393 1.00 0.00 H new ATOM 0 HA SER A 37 19.974 30.425 32.727 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.117 28.382 31.785 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.014 27.954 33.078 1.00 0.00 H new ATOM 0 HG SER A 37 18.552 27.154 31.618 1.00 0.00 H new ATOM 578 N GLY A 38 20.956 30.670 30.303 1.00 0.00 N ATOM 579 CA GLY A 38 21.444 30.949 28.948 1.00 0.00 C ATOM 580 C GLY A 38 22.779 30.251 28.669 1.00 0.00 C ATOM 581 O GLY A 38 23.262 29.478 29.500 1.00 0.00 O ATOM 0 H GLY A 38 21.700 30.706 31.000 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.703 30.620 28.220 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.562 32.025 28.819 1.00 0.00 H new ATOM 585 N GLY A 39 23.395 30.521 27.515 1.00 0.00 N ATOM 586 CA GLY A 39 24.748 30.037 27.215 1.00 0.00 C ATOM 587 C GLY A 39 25.260 30.343 25.805 1.00 0.00 C ATOM 588 O GLY A 39 24.507 30.795 24.937 1.00 0.00 O ATOM 0 H GLY A 39 22.976 31.075 26.768 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.439 30.473 27.936 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.770 28.958 27.364 1.00 0.00 H new ATOM 592 N TYR A 40 26.552 30.100 25.578 1.00 0.00 N ATOM 593 CA TYR A 40 27.249 30.239 24.291 1.00 0.00 C ATOM 594 C TYR A 40 28.463 29.295 24.202 1.00 0.00 C ATOM 595 O TYR A 40 28.998 28.848 25.216 1.00 0.00 O ATOM 596 CB TYR A 40 27.653 31.708 24.051 1.00 0.00 C ATOM 597 CG TYR A 40 28.646 32.333 25.022 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.235 32.707 26.318 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.959 32.631 24.598 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.127 33.363 27.185 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.849 33.306 25.458 1.00 0.00 C ATOM 602 CZ TYR A 40 30.434 33.672 26.756 1.00 0.00 C ATOM 603 OH TYR A 40 31.264 34.360 27.587 1.00 0.00 O ATOM 0 H TYR A 40 27.175 29.785 26.322 1.00 0.00 H new ATOM 0 HA TYR A 40 26.560 29.946 23.499 1.00 0.00 H new ATOM 0 HB2 TYR A 40 28.072 31.782 23.048 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.746 32.312 24.063 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.230 32.488 26.647 1.00 0.00 H new ATOM 0 HD2 TYR A 40 30.283 32.340 23.610 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.810 33.631 28.182 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.848 33.543 25.123 1.00 0.00 H new ATOM 0 HH TYR A 40 32.130 34.494 27.147 1.00 0.00 H new ATOM 613 N CYS A 41 28.906 28.963 22.990 1.00 0.00 N ATOM 614 CA CYS A 41 30.099 28.150 22.755 1.00 0.00 C ATOM 615 C CYS A 41 31.374 29.009 22.835 1.00 0.00 C ATOM 616 O CYS A 41 31.475 30.031 22.148 1.00 0.00 O ATOM 617 CB CYS A 41 29.954 27.436 21.408 1.00 0.00 C ATOM 618 SG CYS A 41 28.663 26.167 21.382 1.00 0.00 S ATOM 0 H CYS A 41 28.440 29.255 22.131 1.00 0.00 H new ATOM 0 HA CYS A 41 30.195 27.394 23.534 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.737 28.176 20.638 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.907 26.975 21.148 1.00 0.00 H new ATOM 623 N TYR A 42 32.345 28.600 23.661 1.00 0.00 N ATOM 624 CA TYR A 42 33.514 29.411 24.023 1.00 0.00 C ATOM 625 C TYR A 42 34.819 28.598 23.960 1.00 0.00 C ATOM 626 O TYR A 42 35.427 28.524 22.890 1.00 0.00 O ATOM 627 CB TYR A 42 33.236 30.096 25.375 1.00 0.00 C ATOM 628 CG TYR A 42 34.411 30.819 26.011 1.00 0.00 C ATOM 629 CD1 TYR A 42 35.195 31.718 25.258 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.724 30.580 27.364 1.00 0.00 C ATOM 631 CE1 TYR A 42 36.298 32.358 25.854 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.820 31.227 27.965 1.00 0.00 C ATOM 633 CZ TYR A 42 36.611 32.116 27.207 1.00 0.00 C ATOM 634 OH TYR A 42 37.676 32.741 27.775 1.00 0.00 O ATOM 0 H TYR A 42 32.340 27.681 24.104 1.00 0.00 H new ATOM 0 HA TYR A 42 33.674 30.202 23.290 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.426 30.812 25.237 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.878 29.341 26.075 1.00 0.00 H new ATOM 0 HD1 TYR A 42 34.949 31.915 24.225 1.00 0.00 H new ATOM 0 HD2 TYR A 42 34.120 29.897 27.943 1.00 0.00 H new ATOM 0 HE1 TYR A 42 36.906 33.036 25.273 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.055 31.044 29.003 1.00 0.00 H new ATOM 0 HH TYR A 42 37.754 32.467 28.713 1.00 0.00 H new ATOM 644 N ALA A 43 35.244 27.957 25.055 1.00 0.00 N ATOM 645 CA ALA A 43 36.507 27.217 25.151 1.00 0.00 C ATOM 646 C ALA A 43 36.384 25.825 24.496 1.00 0.00 C ATOM 647 O ALA A 43 36.261 24.803 25.173 1.00 0.00 O ATOM 648 CB ALA A 43 36.937 27.178 26.624 1.00 0.00 C ATOM 0 H ALA A 43 34.705 27.938 25.921 1.00 0.00 H new ATOM 0 HA ALA A 43 37.295 27.721 24.591 1.00 0.00 H new ATOM 0 HB1 ALA A 43 37.875 26.631 26.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.073 28.196 26.990 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.168 26.680 27.214 1.00 0.00 H new ATOM 654 N PHE A 44 36.322 25.806 23.161 1.00 0.00 N ATOM 655 CA PHE A 44 35.925 24.696 22.270 1.00 0.00 C ATOM 656 C PHE A 44 34.487 24.167 22.474 1.00 0.00 C ATOM 657 O PHE A 44 33.863 23.700 21.523 1.00 0.00 O ATOM 658 CB PHE A 44 36.967 23.562 22.316 1.00 0.00 C ATOM 659 CG PHE A 44 38.415 24.013 22.217 1.00 0.00 C ATOM 660 CD1 PHE A 44 38.936 24.468 20.989 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.246 23.989 23.355 1.00 0.00 C ATOM 662 CE1 PHE A 44 40.275 24.894 20.903 1.00 0.00 C ATOM 663 CE2 PHE A 44 40.584 24.413 23.266 1.00 0.00 C ATOM 664 CZ PHE A 44 41.101 24.862 22.038 1.00 0.00 C ATOM 0 H PHE A 44 36.569 26.637 22.623 1.00 0.00 H new ATOM 0 HA PHE A 44 35.906 25.125 21.268 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.838 23.008 23.246 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.762 22.868 21.501 1.00 0.00 H new ATOM 0 HD1 PHE A 44 38.306 24.490 20.112 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.853 23.643 24.300 1.00 0.00 H new ATOM 0 HE1 PHE A 44 40.668 25.247 19.961 1.00 0.00 H new ATOM 0 HE2 PHE A 44 41.215 24.394 24.142 1.00 0.00 H new ATOM 0 HZ PHE A 44 42.130 25.181 21.968 1.00 0.00 H new ATOM 674 N ALA A 45 33.936 24.272 23.684 1.00 0.00 N ATOM 675 CA ALA A 45 32.644 23.740 24.111 1.00 0.00 C ATOM 676 C ALA A 45 31.785 24.810 24.824 1.00 0.00 C ATOM 677 O ALA A 45 32.144 25.989 24.889 1.00 0.00 O ATOM 678 CB ALA A 45 32.950 22.534 25.008 1.00 0.00 C ATOM 0 H ALA A 45 34.413 24.763 24.440 1.00 0.00 H new ATOM 0 HA ALA A 45 32.044 23.433 23.255 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.016 22.094 25.358 1.00 0.00 H new ATOM 0 HB2 ALA A 45 33.510 21.791 24.440 1.00 0.00 H new ATOM 0 HB3 ALA A 45 33.542 22.858 25.864 1.00 0.00 H new ATOM 684 N CYS A 46 30.629 24.405 25.344 1.00 0.00 N ATOM 685 CA CYS A 46 29.612 25.261 25.960 1.00 0.00 C ATOM 686 C CYS A 46 30.042 25.968 27.269 1.00 0.00 C ATOM 687 O CYS A 46 30.739 25.405 28.118 1.00 0.00 O ATOM 688 CB CYS A 46 28.387 24.367 26.179 1.00 0.00 C ATOM 689 SG CYS A 46 26.869 25.161 26.748 1.00 0.00 S ATOM 0 H CYS A 46 30.360 23.421 25.349 1.00 0.00 H new ATOM 0 HA CYS A 46 29.409 26.098 25.292 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.169 23.858 25.240 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.657 23.598 26.903 1.00 0.00 H new ATOM 694 N TRP A 47 29.575 27.206 27.443 1.00 0.00 N ATOM 695 CA TRP A 47 29.641 28.026 28.658 1.00 0.00 C ATOM 696 C TRP A 47 28.229 28.542 28.962 1.00 0.00 C ATOM 697 O TRP A 47 27.602 29.172 28.108 1.00 0.00 O ATOM 698 CB TRP A 47 30.628 29.181 28.425 1.00 0.00 C ATOM 699 CG TRP A 47 30.831 30.141 29.561 1.00 0.00 C ATOM 700 CD1 TRP A 47 30.042 31.200 29.850 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.921 30.187 30.533 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.570 31.906 30.915 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.729 31.322 31.379 1.00 0.00 C ATOM 704 CE3 TRP A 47 33.064 29.392 30.776 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.620 31.650 32.413 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.962 29.710 31.815 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.741 30.833 32.632 1.00 0.00 C ATOM 0 H TRP A 47 29.106 27.699 26.683 1.00 0.00 H new ATOM 0 HA TRP A 47 29.994 27.448 29.512 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.596 28.753 28.166 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.288 29.748 27.558 1.00 0.00 H new ATOM 0 HD1 TRP A 47 29.133 31.457 29.326 1.00 0.00 H new ATOM 0 HE1 TRP A 47 30.155 32.751 31.307 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.252 28.528 30.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.446 32.518 33.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.827 29.086 31.985 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.433 31.067 33.427 1.00 0.00 H new ATOM 718 N CYS A 48 27.708 28.266 30.158 1.00 0.00 N ATOM 719 CA CYS A 48 26.338 28.616 30.540 1.00 0.00 C ATOM 720 C CYS A 48 26.294 29.919 31.357 1.00 0.00 C ATOM 721 O CYS A 48 27.201 30.217 32.137 1.00 0.00 O ATOM 722 CB CYS A 48 25.671 27.438 31.263 1.00 0.00 C ATOM 723 SG CYS A 48 25.513 25.895 30.314 1.00 0.00 S ATOM 0 H CYS A 48 28.228 27.790 30.895 1.00 0.00 H new ATOM 0 HA CYS A 48 25.762 28.811 29.635 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.240 27.226 32.168 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.675 27.749 31.578 1.00 0.00 H new ATOM 728 N THR A 49 25.223 30.693 31.180 1.00 0.00 N ATOM 729 CA THR A 49 25.008 32.039 31.743 1.00 0.00 C ATOM 730 C THR A 49 23.633 32.154 32.417 1.00 0.00 C ATOM 731 O THR A 49 22.829 31.219 32.363 1.00 0.00 O ATOM 732 CB THR A 49 25.186 33.124 30.662 1.00 0.00 C ATOM 733 OG1 THR A 49 24.269 32.976 29.603 1.00 0.00 O ATOM 734 CG2 THR A 49 26.588 33.114 30.052 1.00 0.00 C ATOM 0 H THR A 49 24.435 30.387 30.609 1.00 0.00 H new ATOM 0 HA THR A 49 25.765 32.199 32.511 1.00 0.00 H new ATOM 0 HB THR A 49 25.012 34.066 31.182 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.416 33.684 28.942 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.662 33.896 29.297 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.326 33.294 30.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.777 32.145 29.590 1.00 0.00 H new ATOM 742 N HIS A 50 23.358 33.277 33.098 1.00 0.00 N ATOM 743 CA HIS A 50 22.142 33.493 33.914 1.00 0.00 C ATOM 744 C HIS A 50 21.874 32.390 34.959 1.00 0.00 C ATOM 745 O HIS A 50 20.732 32.112 35.332 1.00 0.00 O ATOM 746 CB HIS A 50 20.930 33.787 33.017 1.00 0.00 C ATOM 747 CG HIS A 50 21.123 34.988 32.127 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.994 36.325 32.522 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.431 34.944 30.801 1.00 0.00 C ATOM 750 CE1 HIS A 50 21.215 37.054 31.412 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.485 36.250 30.371 1.00 0.00 N ATOM 0 H HIS A 50 23.986 34.081 33.100 1.00 0.00 H new ATOM 0 HA HIS A 50 22.329 34.379 34.520 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.725 32.914 32.398 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.053 33.946 33.644 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.599 34.059 30.205 1.00 0.00 H new ATOM 0 HE1 HIS A 50 21.180 38.132 31.365 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.695 36.556 29.421 1.00 0.00 H new ATOM 759 N LEU A 51 22.934 31.748 35.450 1.00 0.00 N ATOM 760 CA LEU A 51 22.875 30.694 36.458 1.00 0.00 C ATOM 761 C LEU A 51 22.688 31.285 37.860 1.00 0.00 C ATOM 762 O LEU A 51 23.363 32.253 38.227 1.00 0.00 O ATOM 763 CB LEU A 51 24.146 29.827 36.394 1.00 0.00 C ATOM 764 CG LEU A 51 24.454 29.193 35.024 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.709 28.333 35.148 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.307 28.316 34.523 1.00 0.00 C ATOM 0 H LEU A 51 23.886 31.955 35.147 1.00 0.00 H new ATOM 0 HA LEU A 51 22.012 30.062 36.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.997 30.440 36.690 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.057 29.029 37.131 1.00 0.00 H new ATOM 0 HG LEU A 51 24.597 30.002 34.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.936 27.879 34.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.547 28.955 35.462 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.542 27.549 35.887 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.570 27.891 33.554 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.126 27.511 35.235 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.405 28.920 34.421 1.00 0.00 H new ATOM 778 N TYR A 52 21.806 30.669 38.647 1.00 0.00 N ATOM 779 CA TYR A 52 21.681 30.909 40.087 1.00 0.00 C ATOM 780 C TYR A 52 22.934 30.417 40.848 1.00 0.00 C ATOM 781 O TYR A 52 23.631 29.511 40.376 1.00 0.00 O ATOM 782 CB TYR A 52 20.423 30.195 40.602 1.00 0.00 C ATOM 783 CG TYR A 52 19.076 30.567 40.002 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.689 31.917 39.881 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.151 29.549 39.694 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.382 32.243 39.465 1.00 0.00 C ATOM 787 CE2 TYR A 52 16.843 29.869 39.281 1.00 0.00 C ATOM 788 CZ TYR A 52 16.452 31.220 39.183 1.00 0.00 C ATOM 789 OH TYR A 52 15.177 31.543 38.841 1.00 0.00 O ATOM 0 H TYR A 52 21.145 29.976 38.296 1.00 0.00 H new ATOM 0 HA TYR A 52 21.595 31.981 40.263 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.566 29.125 40.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.364 30.363 41.677 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.395 32.703 40.107 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.448 28.514 39.775 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.092 33.278 39.362 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.143 29.083 39.040 1.00 0.00 H new ATOM 0 HH TYR A 52 14.665 30.724 38.678 1.00 0.00 H new ATOM 799 N GLU A 53 23.242 30.977 42.024 1.00 0.00 N ATOM 800 CA GLU A 53 24.468 30.648 42.789 1.00 0.00 C ATOM 801 C GLU A 53 24.617 29.157 43.155 1.00 0.00 C ATOM 802 O GLU A 53 25.744 28.666 43.270 1.00 0.00 O ATOM 803 CB GLU A 53 24.559 31.475 44.084 1.00 0.00 C ATOM 804 CG GLU A 53 24.765 32.980 43.862 1.00 0.00 C ATOM 805 CD GLU A 53 25.532 33.601 45.037 1.00 0.00 C ATOM 806 OE1 GLU A 53 26.788 33.570 45.015 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.902 34.119 45.995 1.00 0.00 O ATOM 0 H GLU A 53 22.652 31.673 42.479 1.00 0.00 H new ATOM 0 HA GLU A 53 25.281 30.899 42.108 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.646 31.327 44.660 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.382 31.093 44.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.314 33.144 42.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.799 33.472 43.751 1.00 0.00 H new ATOM 814 N GLN A 54 23.510 28.422 43.295 1.00 0.00 N ATOM 815 CA GLN A 54 23.478 26.991 43.637 1.00 0.00 C ATOM 816 C GLN A 54 23.964 26.045 42.518 1.00 0.00 C ATOM 817 O GLN A 54 24.257 24.881 42.795 1.00 0.00 O ATOM 818 CB GLN A 54 22.046 26.627 44.078 1.00 0.00 C ATOM 819 CG GLN A 54 21.045 26.612 42.903 1.00 0.00 C ATOM 820 CD GLN A 54 19.577 26.739 43.302 1.00 0.00 C ATOM 821 OE1 GLN A 54 19.198 26.902 44.460 1.00 0.00 O ATOM 822 NE2 GLN A 54 18.688 26.688 42.336 1.00 0.00 N ATOM 0 H GLN A 54 22.578 28.817 43.170 1.00 0.00 H new ATOM 0 HA GLN A 54 24.192 26.842 44.447 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.055 25.647 44.554 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.709 27.342 44.828 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.293 27.428 42.224 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.175 25.684 42.347 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.990 26.553 41.371 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.695 26.783 42.551 1.00 0.00 H new ATOM 831 N ALA A 55 24.033 26.517 41.267 1.00 0.00 N ATOM 832 CA ALA A 55 24.324 25.695 40.090 1.00 0.00 C ATOM 833 C ALA A 55 25.785 25.209 40.046 1.00 0.00 C ATOM 834 O ALA A 55 26.704 25.975 40.361 1.00 0.00 O ATOM 835 CB ALA A 55 23.966 26.503 38.837 1.00 0.00 C ATOM 0 H ALA A 55 23.885 27.501 41.042 1.00 0.00 H new ATOM 0 HA ALA A 55 23.719 24.790 40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.176 25.908 37.948 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.907 26.760 38.860 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.561 27.416 38.811 1.00 0.00 H new ATOM 841 N VAL A 56 26.003 23.957 39.628 1.00 0.00 N ATOM 842 CA VAL A 56 27.321 23.284 39.644 1.00 0.00 C ATOM 843 C VAL A 56 27.988 23.291 38.257 1.00 0.00 C ATOM 844 O VAL A 56 27.366 22.905 37.267 1.00 0.00 O ATOM 845 CB VAL A 56 27.179 21.857 40.217 1.00 0.00 C ATOM 846 CG1 VAL A 56 28.513 21.106 40.255 1.00 0.00 C ATOM 847 CG2 VAL A 56 26.623 21.883 41.650 1.00 0.00 C ATOM 0 H VAL A 56 25.258 23.365 39.260 1.00 0.00 H new ATOM 0 HA VAL A 56 27.986 23.847 40.299 1.00 0.00 H new ATOM 0 HB VAL A 56 26.491 21.342 39.547 1.00 0.00 H new ATOM 0 HG11 VAL A 56 28.357 20.109 40.666 1.00 0.00 H new ATOM 0 HG12 VAL A 56 28.913 21.024 39.244 1.00 0.00 H new ATOM 0 HG13 VAL A 56 29.219 21.651 40.882 1.00 0.00 H new ATOM 0 HG21 VAL A 56 26.535 20.863 42.025 1.00 0.00 H new ATOM 0 HG22 VAL A 56 27.298 22.448 42.292 1.00 0.00 H new ATOM 0 HG23 VAL A 56 25.641 22.356 41.651 1.00 0.00 H new ATOM 857 N VAL A 57 29.254 23.719 38.174 1.00 0.00 N ATOM 858 CA VAL A 57 30.038 23.928 36.931 1.00 0.00 C ATOM 859 C VAL A 57 31.494 23.445 37.055 1.00 0.00 C ATOM 860 O VAL A 57 31.978 23.169 38.155 1.00 0.00 O ATOM 861 CB VAL A 57 30.023 25.412 36.496 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.647 25.827 35.958 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.450 26.366 37.621 1.00 0.00 C ATOM 0 H VAL A 57 29.795 23.943 39.009 1.00 0.00 H new ATOM 0 HA VAL A 57 29.549 23.323 36.168 1.00 0.00 H new ATOM 0 HB VAL A 57 30.758 25.494 35.695 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.673 26.876 35.662 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.393 25.212 35.094 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.895 25.688 36.735 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.420 27.393 37.258 1.00 0.00 H new ATOM 0 HG22 VAL A 57 29.769 26.260 38.466 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.464 26.123 37.939 1.00 0.00 H new ATOM 873 N TRP A 58 32.212 23.331 35.931 1.00 0.00 N ATOM 874 CA TRP A 58 33.594 22.825 35.886 1.00 0.00 C ATOM 875 C TRP A 58 34.614 23.932 36.246 1.00 0.00 C ATOM 876 O TRP A 58 34.628 24.966 35.572 1.00 0.00 O ATOM 877 CB TRP A 58 33.870 22.251 34.489 1.00 0.00 C ATOM 878 CG TRP A 58 35.118 21.437 34.332 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.409 20.304 35.010 1.00 0.00 C ATOM 880 CD2 TRP A 58 36.242 21.649 33.418 1.00 0.00 C ATOM 881 NE1 TRP A 58 36.625 19.804 34.586 1.00 0.00 N ATOM 882 CE2 TRP A 58 37.173 20.580 33.591 1.00 0.00 C ATOM 883 CE3 TRP A 58 36.570 22.636 32.462 1.00 0.00 C ATOM 884 CZ2 TRP A 58 38.370 20.498 32.862 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.773 22.570 31.733 1.00 0.00 C ATOM 886 CH2 TRP A 58 38.679 21.517 31.948 1.00 0.00 C ATOM 0 H TRP A 58 31.847 23.590 35.014 1.00 0.00 H new ATOM 0 HA TRP A 58 33.709 22.037 36.630 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.021 21.631 34.202 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.913 23.080 33.783 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.784 19.857 35.769 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.062 18.964 34.964 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.887 23.454 32.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 39.042 19.664 33.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 38.001 23.333 31.004 1.00 0.00 H new ATOM 0 HH2 TRP A 58 39.614 21.492 31.409 1.00 0.00 H new ATOM 897 N PRO A 59 35.480 23.765 37.269 1.00 0.00 N ATOM 898 CA PRO A 59 36.344 24.837 37.782 1.00 0.00 C ATOM 899 C PRO A 59 37.713 24.963 37.086 1.00 0.00 C ATOM 900 O PRO A 59 38.514 25.820 37.475 1.00 0.00 O ATOM 901 CB PRO A 59 36.501 24.521 39.273 1.00 0.00 C ATOM 902 CG PRO A 59 36.485 22.995 39.305 1.00 0.00 C ATOM 903 CD PRO A 59 35.522 22.624 38.176 1.00 0.00 C ATOM 0 HA PRO A 59 35.887 25.807 37.586 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.431 24.923 39.675 1.00 0.00 H new ATOM 0 HB3 PRO A 59 35.689 24.945 39.863 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.479 22.580 39.138 1.00 0.00 H new ATOM 0 HG3 PRO A 59 36.140 22.617 40.267 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.862 21.729 37.656 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.529 22.406 38.570 1.00 0.00 H new ATOM 911 N LEU A 60 38.018 24.124 36.085 1.00 0.00 N ATOM 912 CA LEU A 60 39.357 23.999 35.483 1.00 0.00 C ATOM 913 C LEU A 60 39.605 24.645 34.082 1.00 0.00 C ATOM 914 O LEU A 60 40.622 24.300 33.471 1.00 0.00 O ATOM 915 CB LEU A 60 39.790 22.519 35.522 1.00 0.00 C ATOM 916 CG LEU A 60 39.677 21.786 36.870 1.00 0.00 C ATOM 917 CD1 LEU A 60 40.200 20.360 36.704 1.00 0.00 C ATOM 918 CD2 LEU A 60 40.479 22.464 37.983 1.00 0.00 C ATOM 0 H LEU A 60 37.330 23.501 35.662 1.00 0.00 H new ATOM 0 HA LEU A 60 39.993 24.624 36.110 1.00 0.00 H new ATOM 0 HB2 LEU A 60 39.194 21.974 34.791 1.00 0.00 H new ATOM 0 HB3 LEU A 60 40.828 22.462 35.193 1.00 0.00 H new ATOM 0 HG LEU A 60 38.626 21.801 37.158 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.124 19.832 37.654 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.607 19.840 35.952 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.243 20.389 36.387 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.361 21.903 38.910 1.00 0.00 H new ATOM 0 HD22 LEU A 60 41.533 22.492 37.707 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.115 23.481 38.126 1.00 0.00 H new ATOM 930 N PRO A 61 38.795 25.572 33.514 1.00 0.00 N ATOM 931 CA PRO A 61 39.022 26.082 32.152 1.00 0.00 C ATOM 932 C PRO A 61 40.221 27.044 31.977 1.00 0.00 C ATOM 933 O PRO A 61 40.387 27.613 30.895 1.00 0.00 O ATOM 934 CB PRO A 61 37.683 26.685 31.708 1.00 0.00 C ATOM 935 CG PRO A 61 37.086 27.180 33.019 1.00 0.00 C ATOM 936 CD PRO A 61 37.552 26.134 34.027 1.00 0.00 C ATOM 0 HA PRO A 61 39.332 25.259 31.508 1.00 0.00 H new ATOM 0 HB2 PRO A 61 37.822 27.497 30.994 1.00 0.00 H new ATOM 0 HB3 PRO A 61 37.045 25.944 31.227 1.00 0.00 H new ATOM 0 HG2 PRO A 61 37.447 28.176 33.276 1.00 0.00 H new ATOM 0 HG3 PRO A 61 35.999 27.237 32.971 1.00 0.00 H new ATOM 0 HD2 PRO A 61 37.708 26.585 35.007 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.799 25.356 34.151 1.00 0.00 H new ATOM 944 N ASN A 62 41.100 27.219 32.975 1.00 0.00 N ATOM 945 CA ASN A 62 42.369 27.951 32.814 1.00 0.00 C ATOM 946 C ASN A 62 43.406 27.202 31.942 1.00 0.00 C ATOM 947 O ASN A 62 44.340 27.833 31.439 1.00 0.00 O ATOM 948 CB ASN A 62 42.939 28.277 34.211 1.00 0.00 C ATOM 949 CG ASN A 62 44.163 29.180 34.169 1.00 0.00 C ATOM 950 OD1 ASN A 62 45.298 28.754 34.364 1.00 0.00 O ATOM 951 ND2 ASN A 62 43.957 30.452 33.937 1.00 0.00 N ATOM 0 H ASN A 62 40.953 26.858 33.917 1.00 0.00 H new ATOM 0 HA ASN A 62 42.156 28.873 32.273 1.00 0.00 H new ATOM 0 HB2 ASN A 62 42.164 28.756 34.809 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.200 27.346 34.715 1.00 0.00 H new ATOM 0 HD21 ASN A 62 44.744 31.101 33.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 43.010 30.794 33.776 1.00 0.00 H new ATOM 958 N LYS A 63 43.263 25.874 31.774 1.00 0.00 N ATOM 959 CA LYS A 63 44.243 24.986 31.108 1.00 0.00 C ATOM 960 C LYS A 63 43.562 23.947 30.203 1.00 0.00 C ATOM 961 O LYS A 63 42.406 23.581 30.436 1.00 0.00 O ATOM 962 CB LYS A 63 45.148 24.293 32.156 1.00 0.00 C ATOM 963 CG LYS A 63 45.627 25.227 33.283 1.00 0.00 C ATOM 964 CD LYS A 63 46.694 24.598 34.185 1.00 0.00 C ATOM 965 CE LYS A 63 46.880 25.502 35.410 1.00 0.00 C ATOM 966 NZ LYS A 63 48.145 25.222 36.125 1.00 0.00 N ATOM 0 H LYS A 63 42.440 25.372 32.106 1.00 0.00 H new ATOM 0 HA LYS A 63 44.864 25.611 30.466 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.603 23.458 32.597 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.018 23.874 31.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.027 26.140 32.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.771 25.516 33.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.389 23.598 34.493 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.635 24.492 33.644 1.00 0.00 H new ATOM 0 HE2 LYS A 63 46.866 26.545 35.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.041 25.364 36.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.228 25.856 36.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 48.149 24.234 36.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 48.948 25.379 35.483 1.00 0.00 H new ATOM 980 N THR A 64 44.269 23.435 29.196 1.00 0.00 N ATOM 981 CA THR A 64 43.758 22.464 28.208 1.00 0.00 C ATOM 982 C THR A 64 43.333 21.133 28.847 1.00 0.00 C ATOM 983 O THR A 64 44.050 20.577 29.688 1.00 0.00 O ATOM 984 CB THR A 64 44.781 22.221 27.087 1.00 0.00 C ATOM 985 OG1 THR A 64 46.030 21.767 27.581 1.00 0.00 O ATOM 986 CG2 THR A 64 45.049 23.483 26.268 1.00 0.00 C ATOM 0 H THR A 64 45.244 23.687 29.034 1.00 0.00 H new ATOM 0 HA THR A 64 42.863 22.911 27.775 1.00 0.00 H new ATOM 0 HB THR A 64 44.329 21.453 26.460 1.00 0.00 H new ATOM 0 HG1 THR A 64 46.646 21.625 26.832 1.00 0.00 H new ATOM 0 HG21 THR A 64 45.778 23.263 25.488 1.00 0.00 H new ATOM 0 HG22 THR A 64 44.120 23.824 25.811 1.00 0.00 H new ATOM 0 HG23 THR A 64 45.440 24.264 26.920 1.00 0.00 H new ATOM 994 N CYS A 65 42.150 20.632 28.473 1.00 0.00 N ATOM 995 CA CYS A 65 41.450 19.553 29.180 1.00 0.00 C ATOM 996 C CYS A 65 41.763 18.137 28.659 1.00 0.00 C ATOM 997 O CYS A 65 42.408 17.955 27.619 1.00 0.00 O ATOM 998 CB CYS A 65 39.942 19.840 29.199 1.00 0.00 C ATOM 999 SG CYS A 65 38.962 19.168 27.830 1.00 0.00 S ATOM 0 H CYS A 65 41.643 20.971 27.656 1.00 0.00 H new ATOM 0 HA CYS A 65 41.832 19.549 30.201 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.534 19.450 30.132 1.00 0.00 H new ATOM 0 HB3 CYS A 65 39.803 20.921 29.217 1.00 0.00 H new ATOM 1004 N ASN A 66 41.275 17.118 29.372 1.00 0.00 N ATOM 1005 CA ASN A 66 41.474 15.703 29.051 1.00 0.00 C ATOM 1006 C ASN A 66 40.508 15.153 27.978 1.00 0.00 C ATOM 1007 O ASN A 66 40.762 14.104 27.390 1.00 0.00 O ATOM 1008 CB ASN A 66 41.384 14.919 30.370 1.00 0.00 C ATOM 1009 CG ASN A 66 41.936 13.520 30.226 1.00 0.00 C ATOM 1010 OD1 ASN A 66 43.145 13.330 30.249 1.00 0.00 O ATOM 1011 ND2 ASN A 66 41.096 12.532 30.039 1.00 0.00 N ATOM 0 H ASN A 66 40.715 17.259 30.212 1.00 0.00 H new ATOM 0 HA ASN A 66 42.456 15.583 28.593 1.00 0.00 H new ATOM 0 HB2 ASN A 66 41.934 15.449 31.147 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.344 14.869 30.694 1.00 0.00 H new ATOM 0 HD21 ASN A 66 41.446 11.583 29.909 1.00 0.00 H new ATOM 0 HD22 ASN A 66 40.092 12.712 30.023 1.00 0.00 H new