USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 406 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 5 GLN : amide:sc= 1.62 K(o=2.5,f=0.63) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.0448 USER MOD Set 1.3: A 15 GLN : amide:sc= 0.873 K(o=2.5,f=0.63) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0123 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.923 K(o=0.92,f=0) USER MOD Single : A 19 TYR OH : rot -17:sc= 0.488 USER MOD Single : A 21 ASN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.146 USER MOD Single : B 1 PHE N :NH3+ -132:sc= 0.255 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.7!) USER MOD Single : B 5 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.34) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 55:sc= 0.0422 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.745 5.717 -3.568 1.00 0.00 N ATOM 2 CA GLY A 1 -5.757 4.832 -4.758 1.00 0.00 C ATOM 3 C GLY A 1 -4.380 4.246 -5.026 1.00 0.00 C ATOM 4 O GLY A 1 -3.370 4.929 -4.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.252 6.598 -3.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.212 5.236 -2.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.762 5.938 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.474 4.025 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.090 5.396 -5.629 1.00 0.00 H new ATOM 10 N ILE A 2 -4.317 2.988 -5.473 1.00 0.00 N ATOM 11 CA ILE A 2 -3.056 2.241 -5.692 1.00 0.00 C ATOM 12 C ILE A 2 -2.299 2.764 -6.922 1.00 0.00 C ATOM 13 O ILE A 2 -1.077 2.837 -6.901 1.00 0.00 O ATOM 14 CB ILE A 2 -3.335 0.725 -5.758 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.066 -0.086 -6.114 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.447 0.449 -6.763 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.178 -1.606 -5.919 1.00 0.00 C ATOM 0 H ILE A 2 -5.149 2.444 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.397 2.410 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.652 0.400 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.809 0.112 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.239 0.281 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.641 -0.623 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.354 0.969 -6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.143 0.803 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.236 -2.079 -6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.399 -1.823 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.979 -1.995 -6.548 1.00 0.00 H new ATOM 29 N VAL A 3 -3.019 3.196 -7.962 1.00 0.00 N ATOM 30 CA VAL A 3 -2.544 3.960 -9.120 1.00 0.00 C ATOM 31 C VAL A 3 -1.567 5.054 -8.733 1.00 0.00 C ATOM 32 O VAL A 3 -0.567 5.230 -9.419 1.00 0.00 O ATOM 33 CB VAL A 3 -3.744 4.622 -9.824 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.349 5.263 -11.163 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.899 3.655 -10.109 1.00 0.00 C ATOM 0 H VAL A 3 -4.020 3.008 -8.021 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.032 3.257 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.077 5.380 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.227 5.717 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.593 6.029 -10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.946 4.499 -11.828 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.708 4.191 -10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.548 2.849 -10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.263 3.237 -9.171 1.00 0.00 H new ATOM 45 N GLU A 4 -1.802 5.766 -7.629 1.00 0.00 N ATOM 46 CA GLU A 4 -0.893 6.839 -7.226 1.00 0.00 C ATOM 47 C GLU A 4 0.499 6.284 -6.862 1.00 0.00 C ATOM 48 O GLU A 4 1.522 6.851 -7.247 1.00 0.00 O ATOM 49 CB GLU A 4 -1.521 7.647 -6.077 1.00 0.00 C ATOM 50 CG GLU A 4 -0.721 8.915 -5.744 1.00 0.00 C ATOM 51 CD GLU A 4 -1.440 9.760 -4.671 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.235 9.523 -3.455 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.225 10.670 -5.035 1.00 0.00 O ATOM 0 H GLU A 4 -2.599 5.623 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.742 7.515 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.540 7.925 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.586 7.019 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.272 8.639 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.583 9.509 -6.647 1.00 0.00 H new ATOM 60 N GLN A 5 0.542 5.123 -6.203 1.00 0.00 N ATOM 61 CA GLN A 5 1.763 4.382 -5.861 1.00 0.00 C ATOM 62 C GLN A 5 2.382 3.701 -7.094 1.00 0.00 C ATOM 63 O GLN A 5 3.576 3.827 -7.349 1.00 0.00 O ATOM 64 CB GLN A 5 1.418 3.339 -4.775 1.00 0.00 C ATOM 65 CG GLN A 5 2.465 3.221 -3.661 1.00 0.00 C ATOM 66 CD GLN A 5 3.847 2.799 -4.155 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.815 3.537 -4.067 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.989 1.602 -4.679 1.00 0.00 N ATOM 0 H GLN A 5 -0.304 4.654 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 5 2.508 5.082 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.458 3.599 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.296 2.365 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.549 4.181 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.117 2.498 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.184 0.980 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.904 1.295 -5.009 1.00 0.00 H new ATOM 77 N CYS A 6 1.562 3.008 -7.889 1.00 0.00 N ATOM 78 CA CYS A 6 1.995 2.209 -9.029 1.00 0.00 C ATOM 79 C CYS A 6 2.485 3.055 -10.199 1.00 0.00 C ATOM 80 O CYS A 6 3.446 2.669 -10.857 1.00 0.00 O ATOM 81 CB CYS A 6 0.847 1.319 -9.519 1.00 0.00 C ATOM 82 SG CYS A 6 0.632 -0.228 -8.638 1.00 0.00 S ATOM 0 H CYS A 6 0.552 2.990 -7.750 1.00 0.00 H new ATOM 0 HA CYS A 6 2.832 1.606 -8.677 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.082 1.886 -9.452 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.009 1.096 -10.573 1.00 0.00 H new ATOM 87 N CYS A 7 1.825 4.176 -10.493 1.00 0.00 N ATOM 88 CA CYS A 7 2.112 4.951 -11.691 1.00 0.00 C ATOM 89 C CYS A 7 3.252 5.967 -11.450 1.00 0.00 C ATOM 90 O CYS A 7 4.067 6.195 -12.348 1.00 0.00 O ATOM 91 CB CYS A 7 0.805 5.602 -12.186 1.00 0.00 C ATOM 92 SG CYS A 7 1.002 6.679 -13.627 1.00 0.00 S ATOM 0 H CYS A 7 1.084 4.566 -9.911 1.00 0.00 H new ATOM 0 HA CYS A 7 2.481 4.295 -12.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.092 4.815 -12.431 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.372 6.182 -11.371 1.00 0.00 H new ATOM 97 N THR A 8 3.351 6.547 -10.240 1.00 0.00 N ATOM 98 CA THR A 8 4.418 7.518 -9.889 1.00 0.00 C ATOM 99 C THR A 8 5.656 6.874 -9.268 1.00 0.00 C ATOM 100 O THR A 8 6.763 7.388 -9.449 1.00 0.00 O ATOM 101 CB THR A 8 3.942 8.650 -8.967 1.00 0.00 C ATOM 102 OG1 THR A 8 3.777 8.239 -7.628 1.00 0.00 O ATOM 103 CG2 THR A 8 2.646 9.288 -9.443 1.00 0.00 C ATOM 0 H THR A 8 2.700 6.361 -9.477 1.00 0.00 H new ATOM 0 HA THR A 8 4.691 7.942 -10.855 1.00 0.00 H new ATOM 0 HB THR A 8 4.742 9.389 -9.011 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.030 7.608 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.357 10.081 -8.754 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.791 9.707 -10.439 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.860 8.533 -9.478 1.00 0.00 H new ATOM 111 N SER A 9 5.484 5.742 -8.578 1.00 0.00 N ATOM 112 CA SER A 9 6.578 4.904 -8.078 1.00 0.00 C ATOM 113 C SER A 9 6.451 3.497 -8.676 1.00 0.00 C ATOM 114 O SER A 9 6.229 3.377 -9.880 1.00 0.00 O ATOM 115 CB SER A 9 6.646 4.977 -6.547 1.00 0.00 C ATOM 116 OG SER A 9 7.747 4.255 -6.025 1.00 0.00 O ATOM 0 H SER A 9 4.561 5.375 -8.347 1.00 0.00 H new ATOM 0 HA SER A 9 7.549 5.273 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.718 6.020 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.722 4.582 -6.125 1.00 0.00 H new ATOM 0 HG SER A 9 7.753 4.329 -5.048 1.00 0.00 H new ATOM 122 N ILE A 10 6.640 2.436 -7.894 1.00 0.00 N ATOM 123 CA ILE A 10 6.778 1.052 -8.354 1.00 0.00 C ATOM 124 C ILE A 10 6.000 0.067 -7.473 1.00 0.00 C ATOM 125 O ILE A 10 5.947 0.223 -6.251 1.00 0.00 O ATOM 126 CB ILE A 10 8.274 0.674 -8.456 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.015 0.911 -7.117 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.933 1.443 -9.611 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.531 0.715 -7.152 1.00 0.00 C ATOM 0 H ILE A 10 6.704 2.519 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 10 6.336 0.982 -9.348 1.00 0.00 H new ATOM 0 HB ILE A 10 8.345 -0.393 -8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.807 1.927 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.598 0.238 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.986 1.171 -9.675 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.435 1.190 -10.547 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.846 2.515 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.946 0.907 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.759 -0.309 -7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.971 1.407 -7.870 1.00 0.00 H new ATOM 141 N CYS A 11 5.391 -0.945 -8.097 1.00 0.00 N ATOM 142 CA CYS A 11 4.502 -1.911 -7.437 1.00 0.00 C ATOM 143 C CYS A 11 4.529 -3.315 -8.082 1.00 0.00 C ATOM 144 O CYS A 11 5.060 -3.486 -9.182 1.00 0.00 O ATOM 145 CB CYS A 11 3.095 -1.319 -7.441 1.00 0.00 C ATOM 146 SG CYS A 11 2.382 -1.140 -9.084 1.00 0.00 S ATOM 0 H CYS A 11 5.503 -1.121 -9.095 1.00 0.00 H new ATOM 0 HA CYS A 11 4.853 -2.071 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.443 -1.953 -6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.122 -0.342 -6.959 1.00 0.00 H new ATOM 151 N SER A 12 3.981 -4.323 -7.387 1.00 0.00 N ATOM 152 CA SER A 12 4.035 -5.765 -7.728 1.00 0.00 C ATOM 153 C SER A 12 2.843 -6.536 -7.133 1.00 0.00 C ATOM 154 O SER A 12 1.937 -5.919 -6.576 1.00 0.00 O ATOM 155 CB SER A 12 5.339 -6.355 -7.183 1.00 0.00 C ATOM 156 OG SER A 12 5.355 -6.297 -5.768 1.00 0.00 O ATOM 0 H SER A 12 3.460 -4.153 -6.527 1.00 0.00 H new ATOM 0 HA SER A 12 3.990 -5.861 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.443 -7.389 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.190 -5.805 -7.585 1.00 0.00 H new ATOM 0 HG SER A 12 6.194 -6.679 -5.434 1.00 0.00 H new ATOM 162 N LEU A 13 2.826 -7.879 -7.173 1.00 0.00 N ATOM 163 CA LEU A 13 1.762 -8.703 -6.578 1.00 0.00 C ATOM 164 C LEU A 13 1.568 -8.429 -5.077 1.00 0.00 C ATOM 165 O LEU A 13 0.462 -8.575 -4.556 1.00 0.00 O ATOM 166 CB LEU A 13 2.047 -10.211 -6.773 1.00 0.00 C ATOM 167 CG LEU A 13 2.250 -10.811 -8.178 1.00 0.00 C ATOM 168 CD1 LEU A 13 3.438 -10.267 -8.977 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.420 -12.325 -8.057 1.00 0.00 C ATOM 0 H LEU A 13 3.558 -8.428 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 13 0.846 -8.426 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.942 -10.443 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.221 -10.753 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 13 1.358 -10.520 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.481 -10.762 -9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.318 -9.193 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.362 -10.458 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.564 -12.755 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.288 -12.545 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.529 -12.756 -7.600 1.00 0.00 H new ATOM 181 N TYR A 14 2.622 -7.953 -4.410 1.00 0.00 N ATOM 182 CA TYR A 14 2.603 -7.488 -3.023 1.00 0.00 C ATOM 183 C TYR A 14 1.637 -6.303 -2.795 1.00 0.00 C ATOM 184 O TYR A 14 1.177 -6.094 -1.669 1.00 0.00 O ATOM 185 CB TYR A 14 4.042 -7.106 -2.638 1.00 0.00 C ATOM 186 CG TYR A 14 4.494 -7.706 -1.324 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.170 -8.942 -1.329 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.226 -7.057 -0.103 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.587 -9.526 -0.118 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.646 -7.634 1.110 1.00 0.00 C ATOM 191 CZ TYR A 14 5.328 -8.872 1.107 1.00 0.00 C ATOM 192 OH TYR A 14 5.729 -9.429 2.285 1.00 0.00 O ATOM 0 H TYR A 14 3.545 -7.879 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 14 2.230 -8.292 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.719 -7.430 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.118 -6.020 -2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.369 -9.443 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.697 -6.115 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.105 -10.474 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.447 -7.130 2.044 1.00 0.00 H new ATOM 0 HH TYR A 14 5.470 -8.845 3.028 1.00 0.00 H new ATOM 202 N GLN A 15 1.312 -5.550 -3.854 1.00 0.00 N ATOM 203 CA GLN A 15 0.368 -4.425 -3.838 1.00 0.00 C ATOM 204 C GLN A 15 -0.902 -4.726 -4.644 1.00 0.00 C ATOM 205 O GLN A 15 -2.009 -4.558 -4.139 1.00 0.00 O ATOM 206 CB GLN A 15 1.056 -3.158 -4.362 1.00 0.00 C ATOM 207 CG GLN A 15 2.361 -2.870 -3.608 1.00 0.00 C ATOM 208 CD GLN A 15 2.713 -1.392 -3.567 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.270 -0.573 -4.362 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.543 -0.990 -2.631 1.00 0.00 N ATOM 0 H GLN A 15 1.713 -5.713 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 15 0.058 -4.265 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.267 -3.271 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.381 -2.308 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.275 -3.245 -2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.176 -3.418 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.920 -1.661 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.810 -0.007 -2.574 1.00 0.00 H new ATOM 219 N LEU A 16 -0.757 -5.202 -5.882 1.00 0.00 N ATOM 220 CA LEU A 16 -1.834 -5.365 -6.869 1.00 0.00 C ATOM 221 C LEU A 16 -2.910 -6.380 -6.454 1.00 0.00 C ATOM 222 O LEU A 16 -4.050 -6.237 -6.883 1.00 0.00 O ATOM 223 CB LEU A 16 -1.213 -5.805 -8.199 1.00 0.00 C ATOM 224 CG LEU A 16 -0.605 -4.765 -9.137 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.683 -3.954 -9.822 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.321 -3.764 -8.488 1.00 0.00 C ATOM 0 H LEU A 16 0.150 -5.498 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.337 -4.402 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.432 -6.530 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.985 -6.334 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.022 -5.372 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.222 -3.221 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.323 -4.617 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.283 -3.439 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.696 -3.073 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.222 -3.207 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.159 -4.288 -8.028 1.00 0.00 H new ATOM 238 N GLU A 17 -2.617 -7.380 -5.613 1.00 0.00 N ATOM 239 CA GLU A 17 -3.648 -8.363 -5.224 1.00 0.00 C ATOM 240 C GLU A 17 -4.677 -7.770 -4.239 1.00 0.00 C ATOM 241 O GLU A 17 -5.699 -8.386 -3.942 1.00 0.00 O ATOM 242 CB GLU A 17 -3.050 -9.711 -4.771 1.00 0.00 C ATOM 243 CG GLU A 17 -3.967 -10.859 -5.240 1.00 0.00 C ATOM 244 CD GLU A 17 -3.618 -12.258 -4.701 1.00 0.00 C ATOM 245 OE1 GLU A 17 -4.515 -13.137 -4.781 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.491 -12.496 -4.204 1.00 0.00 O ATOM 0 H GLU A 17 -1.699 -7.532 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.213 -8.601 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.050 -9.836 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.949 -9.731 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.991 -10.623 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.945 -10.894 -6.329 1.00 0.00 H new ATOM 253 N ASN A 18 -4.448 -6.529 -3.797 1.00 0.00 N ATOM 254 CA ASN A 18 -5.440 -5.735 -3.071 1.00 0.00 C ATOM 255 C ASN A 18 -6.569 -5.256 -3.993 1.00 0.00 C ATOM 256 O ASN A 18 -7.638 -4.894 -3.489 1.00 0.00 O ATOM 257 CB ASN A 18 -4.769 -4.535 -2.384 1.00 0.00 C ATOM 258 CG ASN A 18 -3.909 -4.934 -1.199 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.390 -5.176 -0.103 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.612 -5.029 -1.383 1.00 0.00 N ATOM 0 H ASN A 18 -3.561 -6.045 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.883 -6.379 -2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.153 -4.005 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.538 -3.838 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.006 -5.305 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.211 -4.827 -2.299 1.00 0.00 H new ATOM 267 N TYR A 19 -6.380 -5.253 -5.323 1.00 0.00 N ATOM 268 CA TYR A 19 -7.463 -4.888 -6.237 1.00 0.00 C ATOM 269 C TYR A 19 -8.434 -6.047 -6.488 1.00 0.00 C ATOM 270 O TYR A 19 -9.628 -5.831 -6.699 1.00 0.00 O ATOM 271 CB TYR A 19 -6.867 -4.534 -7.585 1.00 0.00 C ATOM 272 CG TYR A 19 -6.297 -3.166 -7.795 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.160 -2.066 -7.882 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.978 -3.086 -8.254 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.734 -0.916 -8.569 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.605 -2.007 -9.064 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.500 -0.930 -9.263 1.00 0.00 C ATOM 278 OH TYR A 19 -5.176 0.095 -10.093 1.00 0.00 O ATOM 0 H TYR A 19 -5.500 -5.496 -5.779 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.000 -4.059 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.076 -5.254 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.642 -4.685 -8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.139 -2.101 -7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.258 -3.846 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.345 -0.026 -8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.634 -1.997 -9.537 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.983 0.607 -10.311 1.00 0.00 H new ATOM 288 N CYS A 20 -7.896 -7.267 -6.546 1.00 0.00 N ATOM 289 CA CYS A 20 -8.642 -8.424 -7.000 1.00 0.00 C ATOM 290 C CYS A 20 -9.766 -8.815 -6.038 1.00 0.00 C ATOM 291 O CYS A 20 -9.622 -8.710 -4.815 1.00 0.00 O ATOM 292 CB CYS A 20 -7.723 -9.636 -7.173 1.00 0.00 C ATOM 293 SG CYS A 20 -6.143 -9.365 -7.994 1.00 0.00 S ATOM 0 H CYS A 20 -6.933 -7.472 -6.279 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.081 -8.137 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.523 -10.051 -6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.268 -10.395 -7.733 1.00 0.00 H new ATOM 298 N ASN A 21 -10.862 -9.336 -6.591 1.00 0.00 N ATOM 299 CA ASN A 21 -11.873 -9.999 -5.774 1.00 0.00 C ATOM 300 C ASN A 21 -11.366 -11.387 -5.308 1.00 0.00 C ATOM 301 O ASN A 21 -10.548 -12.015 -5.996 1.00 0.00 O ATOM 302 CB ASN A 21 -13.226 -10.036 -6.513 1.00 0.00 C ATOM 303 CG ASN A 21 -13.446 -11.283 -7.360 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.362 -12.060 -7.138 1.00 0.00 O ATOM 305 ND2 ASN A 21 -12.633 -11.510 -8.364 1.00 0.00 N ATOM 0 H ASN A 21 -11.069 -9.312 -7.589 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.049 -9.425 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.029 -9.963 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.300 -9.158 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.768 -12.331 -8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.866 -10.865 -8.555 1.00 0.00 H new ATOM 312 N SER A 22 -11.851 -11.865 -4.154 1.00 0.00 N ATOM 313 CA SER A 22 -11.409 -13.115 -3.501 1.00 0.00 C ATOM 314 C SER A 22 -12.561 -13.855 -2.814 1.00 0.00 C ATOM 315 O SER A 22 -13.355 -13.202 -2.098 1.00 0.00 O ATOM 316 CB SER A 22 -10.310 -12.824 -2.475 1.00 0.00 C ATOM 317 OG SER A 22 -9.165 -12.284 -3.124 1.00 0.00 O ATOM 318 OXT SER A 22 -12.659 -15.091 -2.985 1.00 0.00 O ATOM 0 H SER A 22 -12.582 -11.383 -3.631 1.00 0.00 H new ATOM 0 HA SER A 22 -11.020 -13.759 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.678 -12.123 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.041 -13.740 -1.949 1.00 0.00 H new ATOM 0 HG SER A 22 -8.469 -12.100 -2.459 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.544 -12.300 -7.712 1.00 0.00 N ATOM 326 CA PHE B 1 8.961 -11.382 -8.726 1.00 0.00 C ATOM 327 C PHE B 1 9.500 -9.952 -8.560 1.00 0.00 C ATOM 328 O PHE B 1 10.268 -9.674 -7.636 1.00 0.00 O ATOM 329 CB PHE B 1 7.420 -11.453 -8.741 1.00 0.00 C ATOM 330 CG PHE B 1 6.718 -11.257 -7.406 1.00 0.00 C ATOM 331 CD1 PHE B 1 6.633 -9.978 -6.821 1.00 0.00 C ATOM 332 CD2 PHE B 1 6.092 -12.352 -6.780 1.00 0.00 C ATOM 333 CE1 PHE B 1 5.896 -9.792 -5.637 1.00 0.00 C ATOM 334 CE2 PHE B 1 5.358 -12.166 -5.597 1.00 0.00 C ATOM 335 CZ PHE B 1 5.242 -10.882 -5.037 1.00 0.00 C ATOM 0 H1 PHE B 1 9.881 -13.165 -8.180 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.341 -11.831 -7.236 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.818 -12.547 -7.009 1.00 0.00 H new ATOM 0 HA PHE B 1 9.284 -11.719 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.051 -10.698 -9.435 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.127 -12.424 -9.141 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.134 -9.140 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.177 -13.339 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.833 -8.811 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.883 -13.009 -5.118 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.650 -10.733 -4.146 1.00 0.00 H new ATOM 347 N VAL B 2 9.132 -9.044 -9.472 1.00 0.00 N ATOM 348 CA VAL B 2 9.705 -7.686 -9.628 1.00 0.00 C ATOM 349 C VAL B 2 8.647 -6.568 -9.626 1.00 0.00 C ATOM 350 O VAL B 2 7.478 -6.792 -9.960 1.00 0.00 O ATOM 351 CB VAL B 2 10.570 -7.590 -10.908 1.00 0.00 C ATOM 352 CG1 VAL B 2 11.965 -8.172 -10.652 1.00 0.00 C ATOM 353 CG2 VAL B 2 9.972 -8.318 -12.121 1.00 0.00 C ATOM 0 H VAL B 2 8.397 -9.236 -10.153 1.00 0.00 H new ATOM 0 HA VAL B 2 10.332 -7.530 -8.750 1.00 0.00 H new ATOM 0 HB VAL B 2 10.614 -6.527 -11.145 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.562 -8.098 -11.561 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.451 -7.614 -9.852 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.875 -9.219 -10.361 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.636 -8.204 -12.978 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.857 -9.377 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.998 -7.890 -12.358 1.00 0.00 H new ATOM 363 N LYS B 3 9.075 -5.354 -9.236 1.00 0.00 N ATOM 364 CA LYS B 3 8.270 -4.120 -9.208 1.00 0.00 C ATOM 365 C LYS B 3 8.458 -3.277 -10.479 1.00 0.00 C ATOM 366 O LYS B 3 9.579 -3.148 -10.972 1.00 0.00 O ATOM 367 CB LYS B 3 8.603 -3.277 -7.961 1.00 0.00 C ATOM 368 CG LYS B 3 8.539 -4.058 -6.639 1.00 0.00 C ATOM 369 CD LYS B 3 8.934 -3.172 -5.452 1.00 0.00 C ATOM 370 CE LYS B 3 9.085 -4.057 -4.209 1.00 0.00 C ATOM 371 NZ LYS B 3 9.511 -3.274 -3.018 1.00 0.00 N ATOM 0 H LYS B 3 10.032 -5.200 -8.918 1.00 0.00 H new ATOM 0 HA LYS B 3 7.224 -4.425 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS B 3 9.603 -2.859 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS B 3 7.910 -2.437 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS B 3 7.530 -4.443 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.204 -4.920 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS B 3 9.869 -2.653 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS B 3 8.176 -2.407 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.137 -4.551 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS B 3 9.816 -4.841 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.601 -3.909 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 10.428 -2.823 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.801 -2.542 -2.812 1.00 0.00 H new ATOM 385 N GLN B 4 7.384 -2.659 -10.977 1.00 0.00 N ATOM 386 CA GLN B 4 7.397 -1.760 -12.149 1.00 0.00 C ATOM 387 C GLN B 4 6.563 -0.494 -11.913 1.00 0.00 C ATOM 388 O GLN B 4 5.639 -0.496 -11.099 1.00 0.00 O ATOM 389 CB GLN B 4 6.816 -2.437 -13.406 1.00 0.00 C ATOM 390 CG GLN B 4 7.543 -3.669 -13.966 1.00 0.00 C ATOM 391 CD GLN B 4 7.427 -4.901 -13.076 1.00 0.00 C ATOM 392 OE1 GLN B 4 8.412 -5.553 -12.767 1.00 0.00 O ATOM 393 NE2 GLN B 4 6.243 -5.253 -12.614 1.00 0.00 N ATOM 0 H GLN B 4 6.455 -2.768 -10.571 1.00 0.00 H new ATOM 0 HA GLN B 4 8.447 -1.508 -12.298 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.789 -2.728 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.771 -1.688 -14.197 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.139 -3.903 -14.951 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.597 -3.428 -14.103 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.416 -4.713 -12.868 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.155 -6.065 -12.003 1.00 0.00 H new ATOM 402 N HIS B 5 6.859 0.554 -12.687 1.00 0.00 N ATOM 403 CA HIS B 5 6.051 1.770 -12.807 1.00 0.00 C ATOM 404 C HIS B 5 4.962 1.581 -13.874 1.00 0.00 C ATOM 405 O HIS B 5 5.266 1.237 -15.016 1.00 0.00 O ATOM 406 CB HIS B 5 6.952 2.978 -13.122 1.00 0.00 C ATOM 407 CG HIS B 5 8.109 2.709 -14.061 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.445 2.712 -13.715 1.00 0.00 N ATOM 409 CD2 HIS B 5 8.044 2.399 -15.394 1.00 0.00 C ATOM 410 CE1 HIS B 5 10.166 2.412 -14.808 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.354 2.212 -15.862 1.00 0.00 N ATOM 0 H HIS B 5 7.697 0.580 -13.267 1.00 0.00 H new ATOM 0 HA HIS B 5 5.554 1.966 -11.857 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.334 3.766 -13.553 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.352 3.364 -12.184 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.142 2.313 -15.982 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.243 2.341 -14.837 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.635 1.972 -16.813 1.00 0.00 H new ATOM 419 N LEU B 6 3.692 1.758 -13.507 1.00 0.00 N ATOM 420 CA LEU B 6 2.548 1.394 -14.349 1.00 0.00 C ATOM 421 C LEU B 6 1.332 2.296 -14.119 1.00 0.00 C ATOM 422 O LEU B 6 0.881 2.468 -12.988 1.00 0.00 O ATOM 423 CB LEU B 6 2.125 -0.054 -14.064 1.00 0.00 C ATOM 424 CG LEU B 6 3.219 -1.121 -14.043 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.675 -2.363 -13.332 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.738 -1.591 -15.403 1.00 0.00 C ATOM 0 H LEU B 6 3.425 2.162 -12.609 1.00 0.00 H new ATOM 0 HA LEU B 6 2.876 1.514 -15.381 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.620 -0.072 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.389 -0.343 -14.814 1.00 0.00 H new ATOM 0 HG LEU B 6 4.058 -0.639 -13.541 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.444 -3.135 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.390 -2.103 -12.312 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.803 -2.736 -13.868 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.510 -2.347 -15.257 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.916 -2.018 -15.978 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.158 -0.744 -15.945 1.00 0.00 H new ATOM 438 N CYS B 7 0.750 2.795 -15.204 1.00 0.00 N ATOM 439 CA CYS B 7 -0.480 3.589 -15.226 1.00 0.00 C ATOM 440 C CYS B 7 -1.547 2.873 -16.072 1.00 0.00 C ATOM 441 O CYS B 7 -1.222 2.341 -17.137 1.00 0.00 O ATOM 442 CB CYS B 7 -0.192 4.986 -15.806 1.00 0.00 C ATOM 443 SG CYS B 7 -0.674 6.370 -14.739 1.00 0.00 S ATOM 0 H CYS B 7 1.138 2.652 -16.136 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.853 3.701 -14.208 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.875 5.063 -16.017 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.713 5.082 -16.759 1.00 0.00 H new ATOM 448 N GLY B 8 -2.808 2.864 -15.629 1.00 0.00 N ATOM 449 CA GLY B 8 -3.955 2.409 -16.433 1.00 0.00 C ATOM 450 C GLY B 8 -3.767 1.006 -17.010 1.00 0.00 C ATOM 451 O GLY B 8 -3.652 0.038 -16.262 1.00 0.00 O ATOM 0 H GLY B 8 -3.068 3.175 -14.693 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.852 2.423 -15.815 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.120 3.112 -17.250 1.00 0.00 H new ATOM 455 N SER B 9 -3.674 0.892 -18.334 1.00 0.00 N ATOM 456 CA SER B 9 -3.459 -0.372 -19.059 1.00 0.00 C ATOM 457 C SER B 9 -2.216 -1.151 -18.613 1.00 0.00 C ATOM 458 O SER B 9 -2.280 -2.374 -18.504 1.00 0.00 O ATOM 459 CB SER B 9 -3.295 -0.070 -20.553 1.00 0.00 C ATOM 460 OG SER B 9 -4.416 0.657 -21.040 1.00 0.00 O ATOM 0 H SER B 9 -3.748 1.697 -18.956 1.00 0.00 H new ATOM 0 HA SER B 9 -4.331 -0.990 -18.843 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.383 0.504 -20.716 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.189 -1.002 -21.109 1.00 0.00 H new ATOM 0 HG SER B 9 -4.295 0.843 -21.994 1.00 0.00 H new ATOM 466 N HIS B 10 -1.098 -0.480 -18.307 1.00 0.00 N ATOM 467 CA HIS B 10 0.101 -1.140 -17.764 1.00 0.00 C ATOM 468 C HIS B 10 -0.142 -1.659 -16.350 1.00 0.00 C ATOM 469 O HIS B 10 0.339 -2.722 -15.973 1.00 0.00 O ATOM 470 CB HIS B 10 1.260 -0.143 -17.694 1.00 0.00 C ATOM 471 CG HIS B 10 1.683 0.393 -19.031 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.441 -0.237 -19.992 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.342 1.618 -19.519 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.553 0.599 -21.040 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.899 1.753 -20.796 1.00 0.00 N ATOM 0 H HIS B 10 -0.997 0.528 -18.427 1.00 0.00 H new ATOM 0 HA HIS B 10 0.338 -1.973 -18.426 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.971 0.691 -17.054 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.114 -0.627 -17.221 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.744 2.358 -19.008 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.091 0.377 -21.950 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.825 2.560 -21.416 1.00 0.00 H new ATOM 483 N LEU B 11 -0.888 -0.891 -15.559 1.00 0.00 N ATOM 484 CA LEU B 11 -1.162 -1.188 -14.160 1.00 0.00 C ATOM 485 C LEU B 11 -2.076 -2.415 -14.102 1.00 0.00 C ATOM 486 O LEU B 11 -1.799 -3.364 -13.379 1.00 0.00 O ATOM 487 CB LEU B 11 -1.772 0.080 -13.534 1.00 0.00 C ATOM 488 CG LEU B 11 -1.490 0.293 -12.042 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.382 1.413 -11.548 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.759 -0.950 -11.218 1.00 0.00 C ATOM 0 H LEU B 11 -1.326 -0.028 -15.882 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.269 -1.439 -13.587 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.401 0.946 -14.081 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.852 0.050 -13.679 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.434 0.537 -11.927 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.199 1.583 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.164 2.324 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.426 1.139 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.544 -0.745 -10.169 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.805 -1.238 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.122 -1.763 -11.567 1.00 0.00 H new ATOM 502 N VAL B 12 -3.082 -2.451 -14.980 1.00 0.00 N ATOM 503 CA VAL B 12 -3.921 -3.628 -15.249 1.00 0.00 C ATOM 504 C VAL B 12 -3.064 -4.780 -15.773 1.00 0.00 C ATOM 505 O VAL B 12 -3.340 -5.912 -15.420 1.00 0.00 O ATOM 506 CB VAL B 12 -5.055 -3.310 -16.248 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.819 -4.551 -16.723 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.074 -2.370 -15.591 1.00 0.00 C ATOM 0 H VAL B 12 -3.345 -1.640 -15.541 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.384 -3.923 -14.308 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.571 -2.855 -17.112 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.600 -4.252 -17.422 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.130 -5.235 -17.219 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.271 -5.050 -15.866 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.873 -2.148 -16.299 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.495 -2.850 -14.708 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.579 -1.444 -15.299 1.00 0.00 H new ATOM 518 N GLU B 13 -1.984 -4.561 -16.526 1.00 0.00 N ATOM 519 CA GLU B 13 -1.127 -5.665 -16.997 1.00 0.00 C ATOM 520 C GLU B 13 -0.417 -6.368 -15.824 1.00 0.00 C ATOM 521 O GLU B 13 -0.095 -7.554 -15.931 1.00 0.00 O ATOM 522 CB GLU B 13 -0.139 -5.171 -18.063 1.00 0.00 C ATOM 523 CG GLU B 13 0.463 -6.308 -18.897 1.00 0.00 C ATOM 524 CD GLU B 13 1.301 -5.759 -20.066 1.00 0.00 C ATOM 525 OE1 GLU B 13 0.799 -5.727 -21.217 1.00 0.00 O ATOM 526 OE2 GLU B 13 2.473 -5.362 -19.849 1.00 0.00 O ATOM 0 H GLU B 13 -1.678 -3.635 -16.825 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.765 -6.413 -17.468 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.649 -4.472 -18.726 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.666 -4.620 -17.577 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.088 -6.936 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.336 -6.940 -19.284 1.00 0.00 H new ATOM 533 N ALA B 14 -0.234 -5.681 -14.688 1.00 0.00 N ATOM 534 CA ALA B 14 0.168 -6.328 -13.447 1.00 0.00 C ATOM 535 C ALA B 14 -1.071 -6.896 -12.750 1.00 0.00 C ATOM 536 O ALA B 14 -1.139 -8.091 -12.516 1.00 0.00 O ATOM 537 CB ALA B 14 0.952 -5.334 -12.590 1.00 0.00 C ATOM 0 H ALA B 14 -0.361 -4.672 -14.611 1.00 0.00 H new ATOM 0 HA ALA B 14 0.834 -7.170 -13.637 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.255 -5.815 -11.660 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.838 -5.005 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.323 -4.472 -12.365 1.00 0.00 H new ATOM 543 N LEU B 15 -2.099 -6.087 -12.497 1.00 0.00 N ATOM 544 CA LEU B 15 -3.345 -6.457 -11.840 1.00 0.00 C ATOM 545 C LEU B 15 -3.929 -7.787 -12.355 1.00 0.00 C ATOM 546 O LEU B 15 -4.162 -8.720 -11.601 1.00 0.00 O ATOM 547 CB LEU B 15 -4.311 -5.293 -12.103 1.00 0.00 C ATOM 548 CG LEU B 15 -5.286 -5.010 -10.983 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.215 -3.876 -11.409 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.049 -6.246 -10.592 1.00 0.00 C ATOM 0 H LEU B 15 -2.080 -5.102 -12.761 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.175 -6.623 -10.776 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.728 -4.392 -12.294 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.875 -5.506 -13.011 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.736 -4.699 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.922 -3.664 -10.607 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.626 -2.983 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.760 -4.170 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.741 -6.006 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.609 -6.615 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.351 -7.013 -10.256 1.00 0.00 H new ATOM 562 N TYR B 16 -4.074 -7.894 -13.667 1.00 0.00 N ATOM 563 CA TYR B 16 -4.612 -9.033 -14.420 1.00 0.00 C ATOM 564 C TYR B 16 -3.781 -10.307 -14.213 1.00 0.00 C ATOM 565 O TYR B 16 -4.335 -11.406 -14.138 1.00 0.00 O ATOM 566 CB TYR B 16 -4.650 -8.565 -15.894 1.00 0.00 C ATOM 567 CG TYR B 16 -5.488 -9.342 -16.892 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.276 -10.714 -17.129 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.446 -8.644 -17.660 1.00 0.00 C ATOM 570 CE1 TYR B 16 -6.056 -11.398 -18.076 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.228 -9.325 -18.613 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.042 -10.710 -18.820 1.00 0.00 C ATOM 573 OH TYR B 16 -7.789 -11.377 -19.742 1.00 0.00 O ATOM 0 H TYR B 16 -3.800 -7.132 -14.287 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.608 -9.313 -14.076 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.001 -7.533 -15.902 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.624 -8.556 -16.263 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.510 -11.242 -16.580 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.580 -7.582 -17.516 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.902 -12.455 -18.237 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.970 -8.788 -19.186 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.420 -10.756 -20.162 1.00 0.00 H new ATOM 583 N LEU B 17 -2.467 -10.161 -14.031 1.00 0.00 N ATOM 584 CA LEU B 17 -1.516 -11.245 -13.792 1.00 0.00 C ATOM 585 C LEU B 17 -1.525 -11.672 -12.321 1.00 0.00 C ATOM 586 O LEU B 17 -1.469 -12.854 -11.985 1.00 0.00 O ATOM 587 CB LEU B 17 -0.131 -10.696 -14.158 1.00 0.00 C ATOM 588 CG LEU B 17 1.028 -11.674 -13.916 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.901 -12.964 -14.729 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.353 -11.004 -14.278 1.00 0.00 C ATOM 0 H LEU B 17 -2.019 -9.245 -14.047 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.779 -12.120 -14.387 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.134 -10.410 -15.210 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.050 -9.789 -13.581 1.00 0.00 H new ATOM 0 HG LEU B 17 0.995 -11.939 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.749 -13.614 -14.515 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.024 -13.474 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.887 -12.724 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.173 -11.701 -14.105 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.339 -10.714 -15.329 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.494 -10.118 -13.659 1.00 0.00 H new ATOM 602 N VAL B 18 -1.613 -10.667 -11.453 1.00 0.00 N ATOM 603 CA VAL B 18 -1.628 -10.747 -9.996 1.00 0.00 C ATOM 604 C VAL B 18 -2.906 -11.430 -9.510 1.00 0.00 C ATOM 605 O VAL B 18 -2.875 -12.278 -8.618 1.00 0.00 O ATOM 606 CB VAL B 18 -1.512 -9.312 -9.440 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.605 -9.390 -7.924 1.00 0.00 C ATOM 608 CG2 VAL B 18 -0.184 -8.644 -9.846 1.00 0.00 C ATOM 0 H VAL B 18 -1.681 -9.702 -11.776 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.791 -11.347 -9.639 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.317 -8.704 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.526 -8.388 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.562 -9.828 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.794 -10.010 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.143 -7.636 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.651 -9.228 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.119 -8.595 -10.933 1.00 0.00 H new ATOM 618 N CYS B 19 -4.016 -11.112 -10.167 1.00 0.00 N ATOM 619 CA CYS B 19 -5.289 -11.812 -10.005 1.00 0.00 C ATOM 620 C CYS B 19 -5.261 -13.169 -10.722 1.00 0.00 C ATOM 621 O CYS B 19 -5.898 -14.126 -10.284 1.00 0.00 O ATOM 622 CB CYS B 19 -6.403 -10.961 -10.621 1.00 0.00 C ATOM 623 SG CYS B 19 -6.681 -9.317 -9.935 1.00 0.00 S ATOM 0 H CYS B 19 -4.059 -10.347 -10.840 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.464 -11.975 -8.942 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.190 -10.849 -11.684 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.335 -11.520 -10.540 1.00 0.00 H new ATOM 628 N GLY B 20 -4.568 -13.227 -11.863 1.00 0.00 N ATOM 629 CA GLY B 20 -4.586 -14.344 -12.806 1.00 0.00 C ATOM 630 C GLY B 20 -5.985 -14.575 -13.389 1.00 0.00 C ATOM 631 O GLY B 20 -6.521 -15.680 -13.336 1.00 0.00 O ATOM 0 H GLY B 20 -3.957 -12.468 -12.164 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.883 -14.148 -13.615 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.248 -15.250 -12.303 1.00 0.00 H new ATOM 635 N GLU B 21 -6.598 -13.497 -13.894 1.00 0.00 N ATOM 636 CA GLU B 21 -7.961 -13.453 -14.461 1.00 0.00 C ATOM 637 C GLU B 21 -9.107 -13.793 -13.470 1.00 0.00 C ATOM 638 O GLU B 21 -10.254 -13.970 -13.881 1.00 0.00 O ATOM 639 CB GLU B 21 -7.999 -14.274 -15.770 1.00 0.00 C ATOM 640 CG GLU B 21 -8.956 -13.709 -16.833 1.00 0.00 C ATOM 641 CD GLU B 21 -9.054 -14.633 -18.066 1.00 0.00 C ATOM 642 OE1 GLU B 21 -8.009 -15.025 -18.644 1.00 0.00 O ATOM 643 OE2 GLU B 21 -10.192 -14.980 -18.474 1.00 0.00 O ATOM 0 H GLU B 21 -6.139 -12.586 -13.922 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.175 -12.410 -14.695 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.993 -14.319 -16.188 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.294 -15.297 -15.537 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -9.947 -13.578 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.612 -12.723 -17.144 1.00 0.00 H new ATOM 650 N ARG B 22 -8.835 -13.844 -12.153 1.00 0.00 N ATOM 651 CA ARG B 22 -9.830 -14.106 -11.095 1.00 0.00 C ATOM 652 C ARG B 22 -10.893 -13.003 -10.957 1.00 0.00 C ATOM 653 O ARG B 22 -12.020 -13.281 -10.539 1.00 0.00 O ATOM 654 CB ARG B 22 -9.056 -14.329 -9.785 1.00 0.00 C ATOM 655 CG ARG B 22 -9.921 -14.894 -8.655 1.00 0.00 C ATOM 656 CD ARG B 22 -9.067 -15.223 -7.423 1.00 0.00 C ATOM 657 NE ARG B 22 -8.629 -14.009 -6.705 1.00 0.00 N ATOM 658 CZ ARG B 22 -7.444 -13.754 -6.187 1.00 0.00 C ATOM 659 NH1 ARG B 22 -7.290 -12.805 -5.321 1.00 0.00 N ATOM 660 NH2 ARG B 22 -6.367 -14.417 -6.481 1.00 0.00 N ATOM 0 H ARG B 22 -7.894 -13.701 -11.785 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.405 -14.993 -11.361 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.227 -15.011 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.623 -13.382 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.692 -14.172 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.433 -15.793 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.639 -15.857 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.192 -15.795 -7.732 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.331 -13.277 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -8.091 -12.244 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -6.368 -12.618 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.408 -15.187 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -5.480 -14.168 -6.044 1.00 0.00 H new ATOM 674 N GLY B 23 -10.544 -11.773 -11.331 1.00 0.00 N ATOM 675 CA GLY B 23 -11.415 -10.594 -11.387 1.00 0.00 C ATOM 676 C GLY B 23 -11.039 -9.490 -10.391 1.00 0.00 C ATOM 677 O GLY B 23 -10.499 -9.758 -9.322 1.00 0.00 O ATOM 0 H GLY B 23 -9.590 -11.557 -11.621 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.388 -10.183 -12.396 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.442 -10.905 -11.197 1.00 0.00 H new ATOM 681 N PHE B 24 -11.307 -8.248 -10.788 1.00 0.00 N ATOM 682 CA PHE B 24 -10.876 -6.965 -10.217 1.00 0.00 C ATOM 683 C PHE B 24 -11.554 -5.759 -10.904 1.00 0.00 C ATOM 684 O PHE B 24 -12.262 -5.900 -11.905 1.00 0.00 O ATOM 685 CB PHE B 24 -9.373 -6.828 -10.508 1.00 0.00 C ATOM 686 CG PHE B 24 -8.975 -6.886 -11.982 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.794 -5.698 -12.721 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.713 -8.127 -12.593 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.334 -5.751 -14.051 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.307 -8.184 -13.936 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.112 -6.998 -14.661 1.00 0.00 C ATOM 0 H PHE B 24 -11.896 -8.095 -11.607 1.00 0.00 H new ATOM 0 HA PHE B 24 -11.130 -6.961 -9.157 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -9.027 -5.881 -10.094 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.845 -7.620 -9.977 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -9.009 -4.743 -12.265 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.825 -9.039 -12.026 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.153 -4.838 -14.599 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.145 -9.140 -14.411 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.790 -7.044 -15.691 1.00 0.00 H new ATOM 701 N PHE B 25 -11.270 -4.559 -10.390 1.00 0.00 N ATOM 702 CA PHE B 25 -11.507 -3.263 -11.027 1.00 0.00 C ATOM 703 C PHE B 25 -10.363 -2.311 -10.622 1.00 0.00 C ATOM 704 O PHE B 25 -9.908 -2.352 -9.479 1.00 0.00 O ATOM 705 CB PHE B 25 -12.892 -2.699 -10.676 1.00 0.00 C ATOM 706 CG PHE B 25 -13.131 -1.309 -11.245 1.00 0.00 C ATOM 707 CD1 PHE B 25 -13.495 -0.252 -10.392 1.00 0.00 C ATOM 708 CD2 PHE B 25 -12.928 -1.057 -12.617 1.00 0.00 C ATOM 709 CE1 PHE B 25 -13.646 1.051 -10.902 1.00 0.00 C ATOM 710 CE2 PHE B 25 -13.055 0.249 -13.123 1.00 0.00 C ATOM 711 CZ PHE B 25 -13.410 1.304 -12.264 1.00 0.00 C ATOM 0 H PHE B 25 -10.845 -4.462 -9.468 1.00 0.00 H new ATOM 0 HA PHE B 25 -11.509 -3.379 -12.111 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.659 -3.376 -11.052 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -13.000 -2.665 -9.592 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.659 -0.441 -9.341 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -12.674 -1.869 -13.282 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.943 1.856 -10.247 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.880 0.442 -14.171 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.501 2.308 -12.651 1.00 0.00 H new ATOM 721 N TYR B 26 -9.881 -1.478 -11.548 1.00 0.00 N ATOM 722 CA TYR B 26 -8.640 -0.690 -11.405 1.00 0.00 C ATOM 723 C TYR B 26 -8.800 0.718 -10.787 1.00 0.00 C ATOM 724 O TYR B 26 -7.801 1.423 -10.630 1.00 0.00 O ATOM 725 CB TYR B 26 -7.853 -0.702 -12.729 1.00 0.00 C ATOM 726 CG TYR B 26 -8.682 -0.486 -13.978 1.00 0.00 C ATOM 727 CD1 TYR B 26 -8.817 0.801 -14.528 1.00 0.00 C ATOM 728 CD2 TYR B 26 -9.315 -1.588 -14.591 1.00 0.00 C ATOM 729 CE1 TYR B 26 -9.617 0.993 -15.672 1.00 0.00 C ATOM 730 CE2 TYR B 26 -10.115 -1.401 -15.732 1.00 0.00 C ATOM 731 CZ TYR B 26 -10.272 -0.106 -16.276 1.00 0.00 C ATOM 732 OH TYR B 26 -11.043 0.097 -17.380 1.00 0.00 O ATOM 0 H TYR B 26 -10.349 -1.325 -12.441 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.047 -1.196 -10.643 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.086 0.072 -12.684 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.337 -1.658 -12.817 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.309 1.640 -14.075 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.184 -2.579 -14.182 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -9.731 1.983 -16.089 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -10.608 -2.245 -16.192 1.00 0.00 H new ATOM 0 HH TYR B 26 -11.423 -0.757 -17.675 1.00 0.00 H new ATOM 742 N THR B 27 -10.024 1.124 -10.419 1.00 0.00 N ATOM 743 CA THR B 27 -10.368 2.324 -9.614 1.00 0.00 C ATOM 744 C THR B 27 -9.510 3.597 -9.837 1.00 0.00 C ATOM 745 O THR B 27 -8.954 4.137 -8.872 1.00 0.00 O ATOM 746 CB THR B 27 -10.460 1.972 -8.110 1.00 0.00 C ATOM 747 OG1 THR B 27 -9.232 1.517 -7.582 1.00 0.00 O ATOM 748 CG2 THR B 27 -11.504 0.898 -7.802 1.00 0.00 C ATOM 0 H THR B 27 -10.856 0.598 -10.687 1.00 0.00 H new ATOM 0 HA THR B 27 -11.345 2.613 -10.000 1.00 0.00 H new ATOM 0 HB THR B 27 -10.751 2.913 -7.642 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.533 2.181 -7.761 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.516 0.699 -6.730 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.488 1.246 -8.118 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.253 -0.017 -8.338 1.00 0.00 H new ATOM 756 N PRO B 28 -9.368 4.112 -11.076 1.00 0.00 N ATOM 757 CA PRO B 28 -8.544 5.291 -11.352 1.00 0.00 C ATOM 758 C PRO B 28 -9.252 6.614 -11.010 1.00 0.00 C ATOM 759 O PRO B 28 -10.463 6.657 -10.780 1.00 0.00 O ATOM 760 CB PRO B 28 -8.204 5.169 -12.836 1.00 0.00 C ATOM 761 CG PRO B 28 -9.481 4.564 -13.422 1.00 0.00 C ATOM 762 CD PRO B 28 -9.964 3.624 -12.313 1.00 0.00 C ATOM 0 HA PRO B 28 -7.652 5.319 -10.726 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.973 6.137 -13.280 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.338 4.528 -13.002 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.221 5.330 -13.651 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.283 4.025 -14.349 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.052 3.626 -12.248 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.659 2.597 -12.513 1.00 0.00 H new ATOM 770 N LYS B 29 -8.488 7.716 -10.997 1.00 0.00 N ATOM 771 CA LYS B 29 -8.979 9.071 -10.679 1.00 0.00 C ATOM 772 C LYS B 29 -9.879 9.673 -11.762 1.00 0.00 C ATOM 773 O LYS B 29 -10.806 10.415 -11.436 1.00 0.00 O ATOM 774 CB LYS B 29 -7.787 10.014 -10.420 1.00 0.00 C ATOM 775 CG LYS B 29 -6.991 9.713 -9.136 1.00 0.00 C ATOM 776 CD LYS B 29 -7.787 9.848 -7.824 1.00 0.00 C ATOM 777 CE LYS B 29 -8.398 11.244 -7.653 1.00 0.00 C ATOM 778 NZ LYS B 29 -9.104 11.374 -6.350 1.00 0.00 N ATOM 0 H LYS B 29 -7.491 7.693 -11.211 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.593 8.968 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.109 9.961 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.157 11.038 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.598 8.698 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.134 10.385 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.581 9.102 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -7.130 9.636 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.612 11.997 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.096 11.439 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.505 12.330 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.869 10.671 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.432 11.212 -5.573 1.00 0.00 H new ATOM 792 N THR B 30 -9.589 9.390 -13.037 1.00 0.00 N ATOM 793 CA THR B 30 -10.280 9.953 -14.220 1.00 0.00 C ATOM 794 C THR B 30 -10.305 11.499 -14.222 1.00 0.00 C ATOM 795 O THR B 30 -11.286 12.133 -14.622 1.00 0.00 O ATOM 796 CB THR B 30 -11.672 9.315 -14.432 1.00 0.00 C ATOM 797 OG1 THR B 30 -11.642 7.937 -14.122 1.00 0.00 O ATOM 798 CG2 THR B 30 -12.163 9.386 -15.882 1.00 0.00 C ATOM 0 H THR B 30 -8.843 8.742 -13.290 1.00 0.00 H new ATOM 0 HA THR B 30 -9.686 9.680 -15.092 1.00 0.00 H new ATOM 0 HB THR B 30 -12.336 9.885 -13.781 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.532 7.551 -14.261 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.145 8.920 -15.957 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.232 10.429 -16.192 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.462 8.860 -16.530 1.00 0.00 H new ATOM 806 N ARG B 31 -9.213 12.121 -13.748 1.00 0.00 N ATOM 807 CA ARG B 31 -8.967 13.578 -13.696 1.00 0.00 C ATOM 808 C ARG B 31 -7.552 13.927 -14.178 1.00 0.00 C ATOM 809 O ARG B 31 -6.597 13.204 -13.808 1.00 0.00 O ATOM 810 CB ARG B 31 -9.191 14.108 -12.266 1.00 0.00 C ATOM 811 CG ARG B 31 -10.639 14.050 -11.754 1.00 0.00 C ATOM 812 CD ARG B 31 -11.594 14.954 -12.545 1.00 0.00 C ATOM 813 NE ARG B 31 -12.959 14.933 -11.977 1.00 0.00 N ATOM 814 CZ ARG B 31 -14.011 15.582 -12.441 1.00 0.00 C ATOM 815 NH1 ARG B 31 -13.943 16.353 -13.488 1.00 0.00 N ATOM 816 NH2 ARG B 31 -15.166 15.468 -11.857 1.00 0.00 N ATOM 817 OXT ARG B 31 -7.415 14.917 -14.929 1.00 0.00 O ATOM 0 H ARG B 31 -8.429 11.591 -13.367 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.676 14.060 -14.369 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -8.561 13.538 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -8.851 15.143 -12.224 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -10.995 13.021 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.659 14.341 -10.704 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -11.214 15.976 -12.543 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.627 14.628 -13.585 1.00 0.00 H new ATOM 0 HE ARG B 31 -13.102 14.361 -11.145 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -13.056 16.471 -13.978 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -14.777 16.839 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -15.265 14.874 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -15.974 15.973 -12.222 1.00 0.00 H new TER 831 ARG B 31