USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 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 Single : A 0 SER N :NH3+ -168:sc= 2.22 (180deg=1.51) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.304 F(o=-0.84,f=-0.3) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0041) USER MOD Single : A 13 MET CE :methyl 146:sc= -0.743 (180deg=-2.49!) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0701) USER MOD Single : A 19 THR OG1 : rot -75:sc= 1.27 USER MOD Single : A 20 SER OG : rot 77:sc= 1.3 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= 0.192 (180deg=-2.65!) USER MOD Single : A 33 MET CE :methyl 158:sc= 0 (180deg=-0.264) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0286) USER MOD Single : A 37 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.1) USER MOD Single : A 38 GLN : amide:sc= -0.015 K(o=-0.015,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.4) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.881 K(o=0.88,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -0.893 -10.489 -0.485 1.00 0.00 N ATOM 2 CA SER A 0 -1.827 -10.973 -1.492 1.00 0.00 C ATOM 3 C SER A 0 -3.021 -9.994 -1.567 1.00 0.00 C ATOM 4 O SER A 0 -4.183 -10.388 -1.477 1.00 0.00 O ATOM 5 CB SER A 0 -2.293 -12.403 -1.119 1.00 0.00 C ATOM 6 OG SER A 0 -2.737 -13.162 -2.256 1.00 0.00 O ATOM 0 H1 SER A 0 0.002 -11.013 -0.561 1.00 0.00 H new ATOM 0 H2 SER A 0 -0.715 -9.476 -0.635 1.00 0.00 H new ATOM 0 H3 SER A 0 -1.298 -10.632 0.462 1.00 0.00 H new ATOM 0 HA SER A 0 -1.349 -11.020 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 0 -1.473 -12.932 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 0 -3.104 -12.338 -0.393 1.00 0.00 H new ATOM 0 HG SER A 0 -3.017 -14.055 -1.964 1.00 0.00 H new ATOM 14 N MET A 1 -2.703 -8.712 -1.722 1.00 0.00 N ATOM 15 CA MET A 1 -3.666 -7.637 -1.809 1.00 0.00 C ATOM 16 C MET A 1 -2.946 -6.348 -2.201 1.00 0.00 C ATOM 17 O MET A 1 -2.498 -5.573 -1.341 1.00 0.00 O ATOM 18 CB MET A 1 -4.393 -7.440 -0.474 1.00 0.00 C ATOM 19 CG MET A 1 -5.426 -6.325 -0.475 1.00 0.00 C ATOM 20 SD MET A 1 -6.674 -6.510 -1.773 1.00 0.00 S ATOM 21 CE MET A 1 -7.776 -5.149 -1.379 1.00 0.00 C ATOM 0 H MET A 1 -1.737 -8.391 -1.792 1.00 0.00 H new ATOM 0 HA MET A 1 -4.409 -7.893 -2.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.886 -8.374 -0.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.654 -7.232 0.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.922 -6.297 0.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.919 -5.369 -0.601 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.600 -5.129 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.171 -5.281 -0.372 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.227 -4.209 -1.433 1.00 0.00 H new ATOM 31 N ASN A 2 -2.738 -6.177 -3.474 1.00 0.00 N ATOM 32 CA ASN A 2 -2.142 -4.960 -3.996 1.00 0.00 C ATOM 33 C ASN A 2 -3.089 -3.777 -3.867 1.00 0.00 C ATOM 34 O ASN A 2 -4.266 -3.857 -4.225 1.00 0.00 O ATOM 35 CB ASN A 2 -1.695 -5.101 -5.464 1.00 0.00 C ATOM 36 CG ASN A 2 -0.462 -5.970 -5.654 1.00 0.00 C ATOM 37 OD1 ASN A 2 0.707 -5.373 -5.599 1.00 0.00 O flip ATOM 38 ND2 ASN A 2 -0.560 -7.173 -5.860 1.00 0.00 N flip ATOM 0 H ASN A 2 -2.972 -6.869 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.255 -4.779 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.516 -5.522 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.494 -4.109 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.481 -7.611 -5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.279 -7.737 -5.994 1.00 0.00 H new ATOM 45 N ARG A 3 -2.574 -2.718 -3.317 1.00 0.00 N ATOM 46 CA ARG A 3 -3.243 -1.451 -3.183 1.00 0.00 C ATOM 47 C ARG A 3 -2.449 -0.443 -4.025 1.00 0.00 C ATOM 48 O ARG A 3 -1.273 -0.676 -4.319 1.00 0.00 O ATOM 49 CB ARG A 3 -3.228 -1.020 -1.712 1.00 0.00 C ATOM 50 CG ARG A 3 -4.161 0.137 -1.350 1.00 0.00 C ATOM 51 CD ARG A 3 -5.591 -0.332 -1.135 1.00 0.00 C ATOM 52 NE ARG A 3 -6.405 -0.290 -2.360 1.00 0.00 N ATOM 53 CZ ARG A 3 -7.724 -0.564 -2.424 1.00 0.00 C ATOM 54 NH1 ARG A 3 -8.406 -0.880 -1.324 1.00 0.00 N ATOM 55 NH2 ARG A 3 -8.352 -0.510 -3.587 1.00 0.00 N ATOM 0 H ARG A 3 -1.630 -2.710 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.279 -1.511 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.492 -1.881 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.209 -0.738 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.799 0.625 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.139 0.883 -2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.578 -1.352 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.060 0.291 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.935 -0.034 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.931 -0.916 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.403 -1.085 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.839 -0.262 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.350 -0.717 -3.638 1.00 0.00 H new ATOM 69 N LEU A 4 -3.059 0.646 -4.404 1.00 0.00 N ATOM 70 CA LEU A 4 -2.392 1.639 -5.227 1.00 0.00 C ATOM 71 C LEU A 4 -2.134 2.890 -4.420 1.00 0.00 C ATOM 72 O LEU A 4 -2.998 3.334 -3.650 1.00 0.00 O ATOM 73 CB LEU A 4 -3.256 1.997 -6.442 1.00 0.00 C ATOM 74 CG LEU A 4 -3.713 0.837 -7.330 1.00 0.00 C ATOM 75 CD1 LEU A 4 -4.609 1.340 -8.444 1.00 0.00 C ATOM 76 CD2 LEU A 4 -2.524 0.085 -7.899 1.00 0.00 C ATOM 0 H LEU A 4 -4.022 0.877 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.446 1.220 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.142 2.522 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.697 2.699 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.285 0.145 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.924 0.501 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.487 1.823 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.062 2.058 -9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.877 -0.734 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.916 0.764 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.923 -0.316 -7.083 1.00 0.00 H new ATOM 88 N GLY A 5 -0.964 3.443 -4.572 1.00 0.00 N ATOM 89 CA GLY A 5 -0.651 4.671 -3.915 1.00 0.00 C ATOM 90 C GLY A 5 0.423 5.404 -4.630 1.00 0.00 C ATOM 91 O GLY A 5 1.226 4.805 -5.330 1.00 0.00 O ATOM 0 H GLY A 5 -0.214 3.059 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.544 5.294 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.337 4.469 -2.891 1.00 0.00 H new ATOM 95 N ILE A 6 0.448 6.677 -4.447 1.00 0.00 N ATOM 96 CA ILE A 6 1.391 7.545 -5.092 1.00 0.00 C ATOM 97 C ILE A 6 2.521 7.823 -4.155 1.00 0.00 C ATOM 98 O ILE A 6 2.284 8.233 -3.018 1.00 0.00 O ATOM 99 CB ILE A 6 0.705 8.875 -5.506 1.00 0.00 C ATOM 100 CG1 ILE A 6 -0.575 8.569 -6.293 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.655 9.737 -6.339 1.00 0.00 C ATOM 102 CD1 ILE A 6 -1.537 9.721 -6.396 1.00 0.00 C ATOM 0 H ILE A 6 -0.201 7.164 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 6 1.771 7.059 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 6 0.446 9.435 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.300 8.251 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.084 7.729 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.154 10.664 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.545 9.967 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.943 9.195 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.412 9.414 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.846 10.027 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.050 10.558 -6.897 1.00 0.00 H new ATOM 114 N ILE A 7 3.739 7.557 -4.606 1.00 0.00 N ATOM 115 CA ILE A 7 4.915 7.815 -3.806 1.00 0.00 C ATOM 116 C ILE A 7 5.008 9.305 -3.563 1.00 0.00 C ATOM 117 O ILE A 7 5.312 10.088 -4.471 1.00 0.00 O ATOM 118 CB ILE A 7 6.218 7.313 -4.478 1.00 0.00 C ATOM 119 CG1 ILE A 7 6.120 5.817 -4.832 1.00 0.00 C ATOM 120 CG2 ILE A 7 7.426 7.566 -3.567 1.00 0.00 C ATOM 121 CD1 ILE A 7 6.005 4.906 -3.631 1.00 0.00 C ATOM 0 H ILE A 7 3.933 7.161 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 7 4.814 7.268 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 7 6.354 7.873 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.254 5.663 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.001 5.532 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.332 7.207 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.518 8.635 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.288 7.036 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.941 3.870 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.882 5.029 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.109 5.161 -3.065 1.00 0.00 H new ATOM 133 N TYR A 8 4.695 9.674 -2.372 1.00 0.00 N ATOM 134 CA TYR A 8 4.642 11.028 -1.962 1.00 0.00 C ATOM 135 C TYR A 8 5.990 11.467 -1.457 1.00 0.00 C ATOM 136 O TYR A 8 6.414 12.594 -1.695 1.00 0.00 O ATOM 137 CB TYR A 8 3.596 11.162 -0.859 1.00 0.00 C ATOM 138 CG TYR A 8 3.113 12.561 -0.629 1.00 0.00 C ATOM 139 CD1 TYR A 8 3.639 13.344 0.389 1.00 0.00 C ATOM 140 CD2 TYR A 8 2.123 13.100 -1.427 1.00 0.00 C ATOM 141 CE1 TYR A 8 3.187 14.623 0.602 1.00 0.00 C ATOM 142 CE2 TYR A 8 1.666 14.377 -1.223 1.00 0.00 C ATOM 143 CZ TYR A 8 2.198 15.136 -0.210 1.00 0.00 C ATOM 144 OH TYR A 8 1.736 16.416 -0.006 1.00 0.00 O ATOM 0 H TYR A 8 4.460 9.015 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 8 4.370 11.662 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.742 10.532 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.016 10.778 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.415 12.941 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.702 12.506 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.603 15.222 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.891 14.784 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 8 1.041 16.622 -0.665 1.00 0.00 H new ATOM 154 N GLU A 9 6.675 10.565 -0.791 1.00 0.00 N ATOM 155 CA GLU A 9 7.939 10.879 -0.174 1.00 0.00 C ATOM 156 C GLU A 9 8.671 9.583 0.164 1.00 0.00 C ATOM 157 O GLU A 9 8.060 8.508 0.178 1.00 0.00 O ATOM 158 CB GLU A 9 7.678 11.708 1.091 1.00 0.00 C ATOM 159 CG GLU A 9 8.871 12.468 1.621 1.00 0.00 C ATOM 160 CD GLU A 9 8.510 13.292 2.819 1.00 0.00 C ATOM 161 OE1 GLU A 9 8.216 12.712 3.880 1.00 0.00 O ATOM 162 OE2 GLU A 9 8.517 14.537 2.718 1.00 0.00 O ATOM 0 H GLU A 9 6.372 9.599 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 9 8.564 11.459 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.879 12.419 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.315 11.042 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.662 11.766 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.268 13.115 0.839 1.00 0.00 H new ATOM 169 N ILE A 10 9.957 9.682 0.415 1.00 0.00 N ATOM 170 CA ILE A 10 10.781 8.541 0.750 1.00 0.00 C ATOM 171 C ILE A 10 11.443 8.770 2.110 1.00 0.00 C ATOM 172 O ILE A 10 11.946 9.872 2.390 1.00 0.00 O ATOM 173 CB ILE A 10 11.888 8.316 -0.330 1.00 0.00 C ATOM 174 CG1 ILE A 10 11.276 7.941 -1.692 1.00 0.00 C ATOM 175 CG2 ILE A 10 12.913 7.276 0.109 1.00 0.00 C ATOM 176 CD1 ILE A 10 10.581 6.594 -1.729 1.00 0.00 C ATOM 0 H ILE A 10 10.466 10.566 0.392 1.00 0.00 H new ATOM 0 HA ILE A 10 10.145 7.657 0.787 1.00 0.00 H new ATOM 0 HB ILE A 10 12.414 9.264 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.559 8.711 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.066 7.947 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.663 7.152 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.397 7.607 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.413 6.324 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.182 6.418 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.295 5.809 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.765 6.585 -1.006 1.00 0.00 H new ATOM 188 N GLN A 11 11.423 7.765 2.942 1.00 0.00 N ATOM 189 CA GLN A 11 12.055 7.813 4.234 1.00 0.00 C ATOM 190 C GLN A 11 13.013 6.635 4.370 1.00 0.00 C ATOM 191 O GLN A 11 12.701 5.642 5.028 1.00 0.00 O ATOM 192 CB GLN A 11 11.020 7.782 5.369 1.00 0.00 C ATOM 193 CG GLN A 11 10.864 9.102 6.105 1.00 0.00 C ATOM 194 CD GLN A 11 9.770 9.976 5.536 1.00 0.00 C ATOM 195 OE1 GLN A 11 8.628 9.918 5.982 1.00 0.00 O ATOM 196 NE2 GLN A 11 10.093 10.769 4.548 1.00 0.00 N ATOM 0 H GLN A 11 10.962 6.878 2.740 1.00 0.00 H new ATOM 0 HA GLN A 11 12.605 8.751 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.054 7.492 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.305 7.011 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.651 8.902 7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.809 9.644 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.053 10.790 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.385 11.367 4.121 1.00 0.00 H new ATOM 205 N GLY A 12 14.147 6.723 3.701 1.00 0.00 N ATOM 206 CA GLY A 12 15.146 5.673 3.761 1.00 0.00 C ATOM 207 C GLY A 12 14.687 4.416 3.055 1.00 0.00 C ATOM 208 O GLY A 12 14.711 4.336 1.816 1.00 0.00 O ATOM 0 H GLY A 12 14.400 7.513 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.072 6.027 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.369 5.443 4.803 1.00 0.00 H new ATOM 212 N MET A 13 14.242 3.448 3.835 1.00 0.00 N ATOM 213 CA MET A 13 13.739 2.191 3.301 1.00 0.00 C ATOM 214 C MET A 13 12.236 2.186 3.340 1.00 0.00 C ATOM 215 O MET A 13 11.598 1.183 3.051 1.00 0.00 O ATOM 216 CB MET A 13 14.278 0.987 4.073 1.00 0.00 C ATOM 217 CG MET A 13 15.642 0.484 3.618 1.00 0.00 C ATOM 218 SD MET A 13 15.569 -0.650 2.199 1.00 0.00 S ATOM 219 CE MET A 13 15.512 0.495 0.816 1.00 0.00 C ATOM 0 H MET A 13 14.218 3.508 4.853 1.00 0.00 H new ATOM 0 HA MET A 13 14.085 2.108 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.339 1.250 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 13 13.561 0.171 3.989 1.00 0.00 H new ATOM 0 HG2 MET A 13 16.266 1.339 3.356 1.00 0.00 H new ATOM 0 HG3 MET A 13 16.129 -0.022 4.451 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.045 0.067 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.474 0.678 0.538 1.00 0.00 H new ATOM 0 HE3 MET A 13 15.982 1.436 1.103 1.00 0.00 H new ATOM 229 N LYS A 14 11.672 3.300 3.709 1.00 0.00 N ATOM 230 CA LYS A 14 10.244 3.445 3.761 1.00 0.00 C ATOM 231 C LYS A 14 9.801 4.428 2.705 1.00 0.00 C ATOM 232 O LYS A 14 10.588 5.265 2.254 1.00 0.00 O ATOM 233 CB LYS A 14 9.802 3.930 5.137 1.00 0.00 C ATOM 234 CG LYS A 14 10.314 3.074 6.274 1.00 0.00 C ATOM 235 CD LYS A 14 9.852 3.596 7.613 1.00 0.00 C ATOM 236 CE LYS A 14 10.340 2.703 8.734 1.00 0.00 C ATOM 237 NZ LYS A 14 11.798 2.791 8.921 1.00 0.00 N ATOM 0 H LYS A 14 12.189 4.135 3.983 1.00 0.00 H new ATOM 0 HA LYS A 14 9.785 2.474 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.147 4.954 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.713 3.953 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.968 2.049 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.403 3.048 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.224 4.610 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.763 3.650 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.839 2.981 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.065 1.670 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.066 2.300 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.279 2.345 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.080 3.790 8.983 1.00 0.00 H new ATOM 251 N ALA A 15 8.587 4.317 2.302 1.00 0.00 N ATOM 252 CA ALA A 15 8.018 5.202 1.333 1.00 0.00 C ATOM 253 C ALA A 15 6.645 5.620 1.791 1.00 0.00 C ATOM 254 O ALA A 15 5.919 4.823 2.387 1.00 0.00 O ATOM 255 CB ALA A 15 7.937 4.524 -0.026 1.00 0.00 C ATOM 0 H ALA A 15 7.945 3.599 2.638 1.00 0.00 H new ATOM 0 HA ALA A 15 8.652 6.083 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.502 5.212 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.938 4.240 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.313 3.633 0.048 1.00 0.00 H new ATOM 261 N VAL A 16 6.313 6.855 1.550 1.00 0.00 N ATOM 262 CA VAL A 16 5.013 7.381 1.891 1.00 0.00 C ATOM 263 C VAL A 16 4.161 7.321 0.654 1.00 0.00 C ATOM 264 O VAL A 16 4.545 7.860 -0.388 1.00 0.00 O ATOM 265 CB VAL A 16 5.083 8.867 2.365 1.00 0.00 C ATOM 266 CG1 VAL A 16 3.699 9.399 2.729 1.00 0.00 C ATOM 267 CG2 VAL A 16 6.023 9.024 3.540 1.00 0.00 C ATOM 0 H VAL A 16 6.935 7.533 1.110 1.00 0.00 H new ATOM 0 HA VAL A 16 4.603 6.788 2.709 1.00 0.00 H new ATOM 0 HB VAL A 16 5.470 9.453 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.782 10.436 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.047 9.344 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.279 8.798 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.050 10.070 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.673 8.411 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.024 8.705 3.250 1.00 0.00 H new ATOM 277 N VAL A 17 3.058 6.652 0.734 1.00 0.00 N ATOM 278 CA VAL A 17 2.170 6.560 -0.390 1.00 0.00 C ATOM 279 C VAL A 17 0.849 7.209 -0.107 1.00 0.00 C ATOM 280 O VAL A 17 0.225 6.955 0.920 1.00 0.00 O ATOM 281 CB VAL A 17 1.918 5.110 -0.874 1.00 0.00 C ATOM 282 CG1 VAL A 17 3.038 4.641 -1.762 1.00 0.00 C ATOM 283 CG2 VAL A 17 1.721 4.154 0.291 1.00 0.00 C ATOM 0 H VAL A 17 2.744 6.157 1.569 1.00 0.00 H new ATOM 0 HA VAL A 17 2.686 7.092 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 17 0.995 5.116 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.840 3.621 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.110 5.294 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.977 4.668 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.547 3.148 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.613 4.156 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.862 4.472 0.881 1.00 0.00 H new ATOM 293 N LEU A 18 0.451 8.064 -0.991 1.00 0.00 N ATOM 294 CA LEU A 18 -0.854 8.639 -0.960 1.00 0.00 C ATOM 295 C LEU A 18 -1.723 7.686 -1.751 1.00 0.00 C ATOM 296 O LEU A 18 -1.648 7.634 -2.977 1.00 0.00 O ATOM 297 CB LEU A 18 -0.835 10.041 -1.589 1.00 0.00 C ATOM 298 CG LEU A 18 -2.191 10.728 -1.791 1.00 0.00 C ATOM 299 CD1 LEU A 18 -2.887 10.958 -0.460 1.00 0.00 C ATOM 300 CD2 LEU A 18 -2.015 12.042 -2.538 1.00 0.00 C ATOM 0 H LEU A 18 1.031 8.387 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.230 8.767 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.218 10.686 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.342 9.971 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.820 10.070 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.846 11.446 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.050 10.001 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.264 11.592 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.987 12.517 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.365 12.703 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.567 11.849 -3.513 1.00 0.00 H new ATOM 312 N THR A 19 -2.474 6.896 -1.051 1.00 0.00 N ATOM 313 CA THR A 19 -3.233 5.826 -1.648 1.00 0.00 C ATOM 314 C THR A 19 -4.427 6.318 -2.455 1.00 0.00 C ATOM 315 O THR A 19 -4.770 7.517 -2.454 1.00 0.00 O ATOM 316 CB THR A 19 -3.731 4.871 -0.558 1.00 0.00 C ATOM 317 OG1 THR A 19 -4.388 5.632 0.462 1.00 0.00 O ATOM 318 CG2 THR A 19 -2.573 4.111 0.056 1.00 0.00 C ATOM 0 H THR A 19 -2.583 6.970 -0.040 1.00 0.00 H new ATOM 0 HA THR A 19 -2.560 5.315 -2.336 1.00 0.00 H new ATOM 0 HB THR A 19 -4.422 4.155 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.718 6.091 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.948 3.438 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.068 3.531 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.869 4.816 0.499 1.00 0.00 H new ATOM 326 N SER A 20 -5.081 5.381 -3.109 1.00 0.00 N ATOM 327 CA SER A 20 -6.314 5.611 -3.827 1.00 0.00 C ATOM 328 C SER A 20 -7.422 5.995 -2.832 1.00 0.00 C ATOM 329 O SER A 20 -8.427 6.599 -3.183 1.00 0.00 O ATOM 330 CB SER A 20 -6.648 4.319 -4.554 1.00 0.00 C ATOM 331 OG SER A 20 -6.381 3.202 -3.693 1.00 0.00 O ATOM 0 H SER A 20 -4.760 4.414 -3.156 1.00 0.00 H new ATOM 0 HA SER A 20 -6.220 6.428 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.696 4.318 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.056 4.239 -5.466 1.00 0.00 H new ATOM 0 HG SER A 20 -7.097 3.123 -3.028 1.00 0.00 H new ATOM 337 N GLU A 21 -7.173 5.669 -1.581 1.00 0.00 N ATOM 338 CA GLU A 21 -8.063 5.959 -0.485 1.00 0.00 C ATOM 339 C GLU A 21 -7.807 7.383 0.025 1.00 0.00 C ATOM 340 O GLU A 21 -8.550 7.900 0.859 1.00 0.00 O ATOM 341 CB GLU A 21 -7.807 4.967 0.662 1.00 0.00 C ATOM 342 CG GLU A 21 -7.365 3.571 0.220 1.00 0.00 C ATOM 343 CD GLU A 21 -8.413 2.836 -0.580 1.00 0.00 C ATOM 344 OE1 GLU A 21 -9.296 2.198 0.048 1.00 0.00 O ATOM 345 OE2 GLU A 21 -8.351 2.868 -1.830 1.00 0.00 O ATOM 0 H GLU A 21 -6.323 5.183 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.093 5.870 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.043 5.383 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.719 4.874 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.457 3.657 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.112 2.982 1.102 1.00 0.00 H new ATOM 352 N GLY A 22 -6.728 7.999 -0.449 1.00 0.00 N ATOM 353 CA GLY A 22 -6.386 9.339 -0.018 1.00 0.00 C ATOM 354 C GLY A 22 -5.690 9.330 1.327 1.00 0.00 C ATOM 355 O GLY A 22 -5.575 10.353 1.981 1.00 0.00 O ATOM 0 H GLY A 22 -6.084 7.591 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.739 9.807 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.290 9.944 0.043 1.00 0.00 H new ATOM 359 N GLU A 23 -5.228 8.176 1.725 1.00 0.00 N ATOM 360 CA GLU A 23 -4.555 8.014 2.991 1.00 0.00 C ATOM 361 C GLU A 23 -3.068 7.907 2.750 1.00 0.00 C ATOM 362 O GLU A 23 -2.648 7.252 1.785 1.00 0.00 O ATOM 363 CB GLU A 23 -5.043 6.739 3.681 1.00 0.00 C ATOM 364 CG GLU A 23 -6.513 6.737 4.031 1.00 0.00 C ATOM 365 CD GLU A 23 -6.850 7.778 5.053 1.00 0.00 C ATOM 366 OE1 GLU A 23 -7.414 8.818 4.696 1.00 0.00 O ATOM 367 OE2 GLU A 23 -6.554 7.576 6.241 1.00 0.00 O ATOM 0 H GLU A 23 -5.306 7.317 1.181 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.771 8.873 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.836 5.888 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.465 6.591 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.100 6.911 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.794 5.754 4.409 1.00 0.00 H new ATOM 374 N PHE A 24 -2.282 8.545 3.579 1.00 0.00 N ATOM 375 CA PHE A 24 -0.846 8.438 3.466 1.00 0.00 C ATOM 376 C PHE A 24 -0.391 7.256 4.294 1.00 0.00 C ATOM 377 O PHE A 24 -0.512 7.264 5.522 1.00 0.00 O ATOM 378 CB PHE A 24 -0.124 9.708 3.946 1.00 0.00 C ATOM 379 CG PHE A 24 -0.446 10.965 3.189 1.00 0.00 C ATOM 380 CD1 PHE A 24 -1.606 11.681 3.457 1.00 0.00 C ATOM 381 CD2 PHE A 24 0.422 11.442 2.224 1.00 0.00 C ATOM 382 CE1 PHE A 24 -1.892 12.845 2.774 1.00 0.00 C ATOM 383 CE2 PHE A 24 0.136 12.604 1.535 1.00 0.00 C ATOM 384 CZ PHE A 24 -1.020 13.307 1.810 1.00 0.00 C ATOM 0 H PHE A 24 -2.609 9.143 4.338 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.595 8.305 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.366 9.866 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.951 9.536 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.292 11.322 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.331 10.901 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.796 13.393 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.818 12.964 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.241 14.217 1.272 1.00 0.00 H new ATOM 394 N LEU A 25 0.095 6.253 3.631 1.00 0.00 N ATOM 395 CA LEU A 25 0.545 5.042 4.287 1.00 0.00 C ATOM 396 C LEU A 25 2.043 4.937 4.186 1.00 0.00 C ATOM 397 O LEU A 25 2.638 5.414 3.213 1.00 0.00 O ATOM 398 CB LEU A 25 -0.090 3.789 3.646 1.00 0.00 C ATOM 399 CG LEU A 25 -1.422 3.283 4.227 1.00 0.00 C ATOM 400 CD1 LEU A 25 -2.553 4.253 3.952 1.00 0.00 C ATOM 401 CD2 LEU A 25 -1.757 1.911 3.660 1.00 0.00 C ATOM 0 H LEU A 25 0.196 6.241 2.616 1.00 0.00 H new ATOM 0 HA LEU A 25 0.239 5.093 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.244 3.996 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.634 2.976 3.710 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.305 3.205 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.478 3.863 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.324 5.217 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.672 4.377 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.702 1.565 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.844 1.977 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.966 1.207 3.919 1.00 0.00 H new ATOM 413 N ILE A 26 2.650 4.341 5.178 1.00 0.00 N ATOM 414 CA ILE A 26 4.066 4.093 5.165 1.00 0.00 C ATOM 415 C ILE A 26 4.274 2.660 4.707 1.00 0.00 C ATOM 416 O ILE A 26 3.758 1.711 5.328 1.00 0.00 O ATOM 417 CB ILE A 26 4.705 4.280 6.574 1.00 0.00 C ATOM 418 CG1 ILE A 26 4.379 5.671 7.160 1.00 0.00 C ATOM 419 CG2 ILE A 26 6.215 4.062 6.526 1.00 0.00 C ATOM 420 CD1 ILE A 26 4.902 6.844 6.346 1.00 0.00 C ATOM 0 H ILE A 26 2.175 4.013 6.019 1.00 0.00 H new ATOM 0 HA ILE A 26 4.546 4.806 4.495 1.00 0.00 H new ATOM 0 HB ILE A 26 4.270 3.527 7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.297 5.766 7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.793 5.732 8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.634 4.199 7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.426 3.050 6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.665 4.781 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.625 7.778 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.988 6.781 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.469 6.815 5.346 1.00 0.00 H new ATOM 432 N ILE A 27 4.958 2.492 3.622 1.00 0.00 N ATOM 433 CA ILE A 27 5.216 1.180 3.092 1.00 0.00 C ATOM 434 C ILE A 27 6.704 0.954 2.951 1.00 0.00 C ATOM 435 O ILE A 27 7.497 1.890 3.081 1.00 0.00 O ATOM 436 CB ILE A 27 4.536 0.951 1.708 1.00 0.00 C ATOM 437 CG1 ILE A 27 5.094 1.925 0.657 1.00 0.00 C ATOM 438 CG2 ILE A 27 3.018 1.086 1.818 1.00 0.00 C ATOM 439 CD1 ILE A 27 4.704 1.585 -0.762 1.00 0.00 C ATOM 0 H ILE A 27 5.356 3.255 3.074 1.00 0.00 H new ATOM 0 HA ILE A 27 4.790 0.469 3.800 1.00 0.00 H new ATOM 0 HB ILE A 27 4.763 -0.065 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.745 2.932 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.181 1.940 0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.566 0.922 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.637 0.346 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.766 2.086 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.136 2.318 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.076 0.592 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.618 1.599 -0.854 1.00 0.00 H new ATOM 451 N ARG A 28 7.066 -0.276 2.731 1.00 0.00 N ATOM 452 CA ARG A 28 8.425 -0.662 2.461 1.00 0.00 C ATOM 453 C ARG A 28 8.818 -0.185 1.074 1.00 0.00 C ATOM 454 O ARG A 28 8.107 -0.420 0.092 1.00 0.00 O ATOM 455 CB ARG A 28 8.569 -2.181 2.567 1.00 0.00 C ATOM 456 CG ARG A 28 8.929 -2.665 3.960 1.00 0.00 C ATOM 457 CD ARG A 28 8.511 -4.107 4.188 1.00 0.00 C ATOM 458 NE ARG A 28 7.142 -4.212 4.722 1.00 0.00 N ATOM 459 CZ ARG A 28 6.647 -5.291 5.360 1.00 0.00 C ATOM 460 NH1 ARG A 28 7.368 -6.412 5.439 1.00 0.00 N ATOM 461 NH2 ARG A 28 5.424 -5.256 5.885 1.00 0.00 N ATOM 0 H ARG A 28 6.412 -1.058 2.734 1.00 0.00 H new ATOM 0 HA ARG A 28 9.087 -0.203 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.633 -2.648 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.335 -2.514 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.005 -2.572 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.448 -2.027 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.575 -4.655 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.207 -4.580 4.881 1.00 0.00 H new ATOM 0 HE ARG A 28 6.524 -3.410 4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.295 -6.453 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.992 -7.228 5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.859 -4.411 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.052 -6.074 6.367 1.00 0.00 H new ATOM 475 N ARG A 29 9.914 0.503 1.006 1.00 0.00 N ATOM 476 CA ARG A 29 10.392 1.057 -0.222 1.00 0.00 C ATOM 477 C ARG A 29 11.221 0.039 -0.960 1.00 0.00 C ATOM 478 O ARG A 29 12.134 -0.571 -0.393 1.00 0.00 O ATOM 479 CB ARG A 29 11.227 2.301 0.048 1.00 0.00 C ATOM 480 CG ARG A 29 11.805 2.955 -1.187 1.00 0.00 C ATOM 481 CD ARG A 29 13.092 3.654 -0.852 1.00 0.00 C ATOM 482 NE ARG A 29 13.652 4.395 -1.987 1.00 0.00 N ATOM 483 CZ ARG A 29 14.786 5.107 -1.938 1.00 0.00 C ATOM 484 NH1 ARG A 29 15.471 5.193 -0.802 1.00 0.00 N ATOM 485 NH2 ARG A 29 15.220 5.747 -3.011 1.00 0.00 N ATOM 0 H ARG A 29 10.509 0.698 1.811 1.00 0.00 H new ATOM 0 HA ARG A 29 9.534 1.333 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.609 3.030 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.045 2.035 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.981 2.203 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.091 3.669 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.921 4.342 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.820 2.919 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 29 13.145 4.366 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.134 4.716 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.334 5.735 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.691 5.700 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.084 6.287 -2.968 1.00 0.00 H new ATOM 499 N ARG A 30 10.906 -0.127 -2.203 1.00 0.00 N ATOM 500 CA ARG A 30 11.611 -1.023 -3.065 1.00 0.00 C ATOM 501 C ARG A 30 12.554 -0.200 -3.927 1.00 0.00 C ATOM 502 O ARG A 30 12.658 1.021 -3.762 1.00 0.00 O ATOM 503 CB ARG A 30 10.646 -1.780 -3.979 1.00 0.00 C ATOM 504 CG ARG A 30 9.435 -2.391 -3.297 1.00 0.00 C ATOM 505 CD ARG A 30 8.534 -3.013 -4.338 1.00 0.00 C ATOM 506 NE ARG A 30 7.166 -3.230 -3.869 1.00 0.00 N ATOM 507 CZ ARG A 30 6.095 -3.242 -4.681 1.00 0.00 C ATOM 508 NH1 ARG A 30 6.199 -2.886 -5.968 1.00 0.00 N ATOM 509 NH2 ARG A 30 4.923 -3.582 -4.214 1.00 0.00 N ATOM 0 H ARG A 30 10.137 0.365 -2.658 1.00 0.00 H new ATOM 0 HA ARG A 30 12.154 -1.749 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.297 -1.097 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.198 -2.576 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.752 -3.145 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.893 -1.626 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.511 -2.370 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.958 -3.967 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 30 7.016 -3.380 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.102 -2.600 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.375 -2.901 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.820 -3.839 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.111 -3.591 -4.831 1.00 0.00 H new ATOM 523 N LYS A 31 13.206 -0.856 -4.847 1.00 0.00 N ATOM 524 CA LYS A 31 14.133 -0.217 -5.784 1.00 0.00 C ATOM 525 C LYS A 31 13.340 0.617 -6.785 1.00 0.00 C ATOM 526 O LYS A 31 13.791 1.637 -7.289 1.00 0.00 O ATOM 527 CB LYS A 31 14.919 -1.288 -6.579 1.00 0.00 C ATOM 528 CG LYS A 31 15.601 -2.381 -5.752 1.00 0.00 C ATOM 529 CD LYS A 31 14.727 -3.645 -5.550 1.00 0.00 C ATOM 530 CE LYS A 31 14.544 -4.480 -6.827 1.00 0.00 C ATOM 531 NZ LYS A 31 13.428 -4.010 -7.704 1.00 0.00 N ATOM 0 H LYS A 31 13.118 -1.863 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 31 14.824 0.406 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.234 -1.766 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.681 -0.783 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.532 -2.668 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.867 -1.974 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.180 -4.270 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.747 -3.343 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.473 -4.462 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.361 -5.518 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.930 -4.832 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.762 -3.441 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.814 -3.430 -8.476 1.00 0.00 H new ATOM 545 N ASP A 32 12.137 0.168 -7.007 1.00 0.00 N ATOM 546 CA ASP A 32 11.230 0.672 -8.019 1.00 0.00 C ATOM 547 C ASP A 32 10.434 1.884 -7.538 1.00 0.00 C ATOM 548 O ASP A 32 9.515 2.350 -8.229 1.00 0.00 O ATOM 549 CB ASP A 32 10.246 -0.447 -8.392 1.00 0.00 C ATOM 550 CG ASP A 32 10.883 -1.830 -8.452 1.00 0.00 C ATOM 551 OD1 ASP A 32 11.042 -2.378 -9.547 1.00 0.00 O ATOM 552 OD2 ASP A 32 11.250 -2.400 -7.375 1.00 0.00 O ATOM 0 H ASP A 32 11.736 -0.597 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 32 11.826 0.987 -8.876 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.434 -0.462 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.801 -0.219 -9.361 1.00 0.00 H new ATOM 557 N MET A 33 10.773 2.404 -6.388 1.00 0.00 N ATOM 558 CA MET A 33 10.035 3.519 -5.828 1.00 0.00 C ATOM 559 C MET A 33 10.561 4.846 -6.325 1.00 0.00 C ATOM 560 O MET A 33 11.645 5.278 -5.936 1.00 0.00 O ATOM 561 CB MET A 33 10.062 3.492 -4.300 1.00 0.00 C ATOM 562 CG MET A 33 8.856 2.836 -3.657 1.00 0.00 C ATOM 563 SD MET A 33 8.693 1.098 -4.078 1.00 0.00 S ATOM 564 CE MET A 33 7.151 0.693 -3.262 1.00 0.00 C ATOM 0 H MET A 33 11.553 2.078 -5.817 1.00 0.00 H new ATOM 0 HA MET A 33 9.004 3.412 -6.164 1.00 0.00 H new ATOM 0 HB2 MET A 33 10.960 2.967 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.141 4.515 -3.933 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.929 2.936 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.954 3.365 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.715 -0.191 -3.726 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.339 0.493 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.459 1.530 -3.355 1.00 0.00 H new ATOM 574 N LYS A 34 9.805 5.477 -7.182 1.00 0.00 N ATOM 575 CA LYS A 34 10.116 6.776 -7.680 1.00 0.00 C ATOM 576 C LYS A 34 9.065 7.738 -7.168 1.00 0.00 C ATOM 577 O LYS A 34 7.870 7.440 -7.249 1.00 0.00 O ATOM 578 CB LYS A 34 10.092 6.770 -9.197 1.00 0.00 C ATOM 579 CG LYS A 34 11.115 5.863 -9.848 1.00 0.00 C ATOM 580 CD LYS A 34 11.064 5.986 -11.359 1.00 0.00 C ATOM 581 CE LYS A 34 11.962 4.964 -12.038 1.00 0.00 C ATOM 582 NZ LYS A 34 13.382 5.124 -11.661 1.00 0.00 N ATOM 0 H LYS A 34 8.940 5.089 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 34 11.109 7.075 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.098 6.469 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.252 7.788 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.113 6.119 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.928 4.829 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.038 5.852 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.369 6.990 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.630 3.960 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.863 5.059 -13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.966 4.474 -12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.681 6.103 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.499 4.908 -10.651 1.00 0.00 H new ATOM 596 N VAL A 35 9.485 8.859 -6.642 1.00 0.00 N ATOM 597 CA VAL A 35 8.560 9.833 -6.079 1.00 0.00 C ATOM 598 C VAL A 35 7.725 10.477 -7.178 1.00 0.00 C ATOM 599 O VAL A 35 8.262 10.972 -8.174 1.00 0.00 O ATOM 600 CB VAL A 35 9.297 10.935 -5.261 1.00 0.00 C ATOM 601 CG1 VAL A 35 8.307 11.844 -4.541 1.00 0.00 C ATOM 602 CG2 VAL A 35 10.241 10.309 -4.259 1.00 0.00 C ATOM 0 H VAL A 35 10.467 9.130 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 35 7.904 9.293 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 35 9.871 11.540 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.852 12.603 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.660 12.329 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.700 11.251 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.747 11.094 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.677 9.677 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.980 9.704 -4.784 1.00 0.00 H new ATOM 612 N GLY A 36 6.422 10.443 -7.011 1.00 0.00 N ATOM 613 CA GLY A 36 5.543 11.056 -7.962 1.00 0.00 C ATOM 614 C GLY A 36 4.651 10.077 -8.673 1.00 0.00 C ATOM 615 O GLY A 36 3.563 10.441 -9.116 1.00 0.00 O ATOM 0 H GLY A 36 5.954 9.995 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.925 11.793 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.138 11.595 -8.699 1.00 0.00 H new ATOM 619 N GLN A 37 5.095 8.852 -8.802 1.00 0.00 N ATOM 620 CA GLN A 37 4.318 7.859 -9.517 1.00 0.00 C ATOM 621 C GLN A 37 3.437 7.054 -8.587 1.00 0.00 C ATOM 622 O GLN A 37 3.751 6.882 -7.393 1.00 0.00 O ATOM 623 CB GLN A 37 5.209 6.939 -10.370 1.00 0.00 C ATOM 624 CG GLN A 37 6.114 6.007 -9.576 1.00 0.00 C ATOM 625 CD GLN A 37 7.071 5.220 -10.451 1.00 0.00 C ATOM 626 OE1 GLN A 37 7.497 5.679 -11.505 1.00 0.00 O ATOM 627 NE2 GLN A 37 7.417 4.030 -10.025 1.00 0.00 N ATOM 0 H GLN A 37 5.982 8.516 -8.427 1.00 0.00 H new ATOM 0 HA GLN A 37 3.664 8.405 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.571 6.338 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.829 7.558 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.687 6.592 -8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.499 5.312 -9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.045 3.676 -9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.058 3.458 -10.575 1.00 0.00 H new ATOM 636 N GLN A 38 2.337 6.587 -9.123 1.00 0.00 N ATOM 637 CA GLN A 38 1.449 5.718 -8.415 1.00 0.00 C ATOM 638 C GLN A 38 1.937 4.314 -8.622 1.00 0.00 C ATOM 639 O GLN A 38 2.112 3.873 -9.765 1.00 0.00 O ATOM 640 CB GLN A 38 0.021 5.868 -8.917 1.00 0.00 C ATOM 641 CG GLN A 38 -1.029 5.257 -7.998 1.00 0.00 C ATOM 642 CD GLN A 38 -2.402 5.252 -8.618 1.00 0.00 C ATOM 643 OE1 GLN A 38 -2.541 5.135 -9.827 1.00 0.00 O ATOM 644 NE2 GLN A 38 -3.421 5.389 -7.810 1.00 0.00 N ATOM 0 H GLN A 38 2.036 6.805 -10.073 1.00 0.00 H new ATOM 0 HA GLN A 38 1.441 5.970 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.198 6.928 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.058 5.404 -9.900 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.741 4.235 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.058 5.815 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.267 5.484 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.370 5.401 -8.184 1.00 0.00 H new ATOM 653 N VAL A 39 2.192 3.635 -7.552 1.00 0.00 N ATOM 654 CA VAL A 39 2.716 2.305 -7.593 1.00 0.00 C ATOM 655 C VAL A 39 1.709 1.356 -7.000 1.00 0.00 C ATOM 656 O VAL A 39 0.793 1.772 -6.262 1.00 0.00 O ATOM 657 CB VAL A 39 4.064 2.176 -6.802 1.00 0.00 C ATOM 658 CG1 VAL A 39 5.133 3.094 -7.369 1.00 0.00 C ATOM 659 CG2 VAL A 39 3.865 2.440 -5.311 1.00 0.00 C ATOM 0 H VAL A 39 2.040 3.992 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 39 2.914 2.060 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 39 4.406 1.148 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.053 2.978 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.319 2.835 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.795 4.128 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.819 2.342 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.477 3.449 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.157 1.718 -4.905 1.00 0.00 H new ATOM 669 N SER A 40 1.843 0.124 -7.331 1.00 0.00 N ATOM 670 CA SER A 40 1.048 -0.890 -6.756 1.00 0.00 C ATOM 671 C SER A 40 1.878 -1.544 -5.678 1.00 0.00 C ATOM 672 O SER A 40 2.985 -2.008 -5.939 1.00 0.00 O ATOM 673 CB SER A 40 0.665 -1.900 -7.826 1.00 0.00 C ATOM 674 OG SER A 40 0.318 -1.227 -9.032 1.00 0.00 O ATOM 0 H SER A 40 2.518 -0.210 -8.019 1.00 0.00 H new ATOM 0 HA SER A 40 0.129 -0.486 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.496 -2.582 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.175 -2.504 -7.483 1.00 0.00 H new ATOM 0 HG SER A 40 0.074 -1.886 -9.716 1.00 0.00 H new ATOM 680 N PHE A 41 1.397 -1.526 -4.485 1.00 0.00 N ATOM 681 CA PHE A 41 2.094 -2.142 -3.402 1.00 0.00 C ATOM 682 C PHE A 41 1.227 -3.168 -2.815 1.00 0.00 C ATOM 683 O PHE A 41 0.024 -3.118 -2.968 1.00 0.00 O ATOM 684 CB PHE A 41 2.548 -1.141 -2.333 1.00 0.00 C ATOM 685 CG PHE A 41 1.449 -0.306 -1.728 1.00 0.00 C ATOM 686 CD1 PHE A 41 1.038 0.870 -2.325 1.00 0.00 C ATOM 687 CD2 PHE A 41 0.830 -0.706 -0.554 1.00 0.00 C ATOM 688 CE1 PHE A 41 0.031 1.624 -1.765 1.00 0.00 C ATOM 689 CE2 PHE A 41 -0.174 0.046 0.008 1.00 0.00 C ATOM 690 CZ PHE A 41 -0.574 1.209 -0.597 1.00 0.00 C ATOM 0 H PHE A 41 0.513 -1.087 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 41 3.006 -2.590 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.048 -1.689 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.289 -0.474 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.510 1.201 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.141 -1.622 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.285 2.541 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.646 -0.279 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.364 1.801 -0.159 1.00 0.00 H new ATOM 700 N GLU A 42 1.800 -4.068 -2.167 1.00 0.00 N ATOM 701 CA GLU A 42 1.066 -5.126 -1.581 1.00 0.00 C ATOM 702 C GLU A 42 0.737 -4.810 -0.160 1.00 0.00 C ATOM 703 O GLU A 42 1.224 -3.835 0.410 1.00 0.00 O ATOM 704 CB GLU A 42 1.856 -6.408 -1.630 1.00 0.00 C ATOM 705 CG GLU A 42 1.489 -7.302 -2.761 1.00 0.00 C ATOM 706 CD GLU A 42 0.290 -8.112 -2.389 1.00 0.00 C ATOM 707 OE1 GLU A 42 -0.241 -8.846 -3.223 1.00 0.00 O ATOM 708 OE2 GLU A 42 -0.163 -8.035 -1.205 1.00 0.00 O ATOM 0 H GLU A 42 2.807 -4.112 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 42 0.143 -5.248 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.917 -6.167 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.713 -6.947 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.279 -6.711 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.324 -7.959 -3.004 1.00 0.00 H new ATOM 715 N ASN A 43 -0.046 -5.656 0.429 1.00 0.00 N ATOM 716 CA ASN A 43 -0.382 -5.529 1.841 1.00 0.00 C ATOM 717 C ASN A 43 0.824 -5.945 2.637 1.00 0.00 C ATOM 718 O ASN A 43 1.073 -5.476 3.734 1.00 0.00 O ATOM 719 CB ASN A 43 -1.621 -6.363 2.211 1.00 0.00 C ATOM 720 CG ASN A 43 -2.912 -5.566 2.248 1.00 0.00 C ATOM 721 OD1 ASN A 43 -3.799 -5.859 3.034 1.00 0.00 O ATOM 722 ND2 ASN A 43 -3.062 -4.601 1.371 1.00 0.00 N ATOM 0 H ASN A 43 -0.476 -6.455 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.642 -4.495 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.728 -7.175 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.460 -6.821 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.936 -4.076 1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.305 -4.376 0.725 1.00 0.00 H new ATOM 729 N GLU A 44 1.622 -6.763 1.993 1.00 0.00 N ATOM 730 CA GLU A 44 2.854 -7.283 2.519 1.00 0.00 C ATOM 731 C GLU A 44 3.978 -6.225 2.441 1.00 0.00 C ATOM 732 O GLU A 44 5.085 -6.460 2.909 1.00 0.00 O ATOM 733 CB GLU A 44 3.237 -8.529 1.720 1.00 0.00 C ATOM 734 CG GLU A 44 2.116 -9.563 1.623 1.00 0.00 C ATOM 735 CD GLU A 44 2.447 -10.710 0.702 1.00 0.00 C ATOM 736 OE1 GLU A 44 3.406 -11.453 0.980 1.00 0.00 O ATOM 737 OE2 GLU A 44 1.727 -10.915 -0.305 1.00 0.00 O ATOM 0 H GLU A 44 1.419 -7.096 1.050 1.00 0.00 H new ATOM 0 HA GLU A 44 2.719 -7.542 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.531 -8.229 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.109 -8.993 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.903 -9.954 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.208 -9.073 1.272 1.00 0.00 H new ATOM 744 N ASP A 45 3.693 -5.068 1.827 1.00 0.00 N ATOM 745 CA ASP A 45 4.681 -3.977 1.745 1.00 0.00 C ATOM 746 C ASP A 45 4.443 -2.979 2.864 1.00 0.00 C ATOM 747 O ASP A 45 5.367 -2.307 3.321 1.00 0.00 O ATOM 748 CB ASP A 45 4.598 -3.193 0.409 1.00 0.00 C ATOM 749 CG ASP A 45 5.180 -3.892 -0.809 1.00 0.00 C ATOM 750 OD1 ASP A 45 4.422 -4.216 -1.724 1.00 0.00 O ATOM 751 OD2 ASP A 45 6.404 -4.094 -0.897 1.00 0.00 O ATOM 0 H ASP A 45 2.798 -4.862 1.384 1.00 0.00 H new ATOM 0 HA ASP A 45 5.661 -4.448 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.551 -2.966 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.112 -2.240 0.537 1.00 0.00 H new ATOM 756 N ILE A 46 3.210 -2.907 3.322 1.00 0.00 N ATOM 757 CA ILE A 46 2.775 -1.897 4.275 1.00 0.00 C ATOM 758 C ILE A 46 3.462 -2.048 5.638 1.00 0.00 C ATOM 759 O ILE A 46 3.659 -3.157 6.129 1.00 0.00 O ATOM 760 CB ILE A 46 1.221 -1.917 4.450 1.00 0.00 C ATOM 761 CG1 ILE A 46 0.522 -2.019 3.089 1.00 0.00 C ATOM 762 CG2 ILE A 46 0.743 -0.665 5.169 1.00 0.00 C ATOM 763 CD1 ILE A 46 -0.990 -2.141 3.172 1.00 0.00 C ATOM 0 H ILE A 46 2.472 -3.553 3.043 1.00 0.00 H new ATOM 0 HA ILE A 46 3.070 -0.933 3.861 1.00 0.00 H new ATOM 0 HB ILE A 46 0.967 -2.792 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.772 -1.138 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.916 -2.884 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.341 -0.700 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.207 -0.612 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.020 0.216 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.405 -2.208 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.252 -3.038 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.399 -1.265 3.676 1.00 0.00 H new ATOM 775 N TYR A 47 3.888 -0.925 6.188 1.00 0.00 N ATOM 776 CA TYR A 47 4.471 -0.864 7.527 1.00 0.00 C ATOM 777 C TYR A 47 3.367 -0.573 8.527 1.00 0.00 C ATOM 778 O TYR A 47 3.472 -0.869 9.732 1.00 0.00 O ATOM 779 CB TYR A 47 5.523 0.239 7.605 1.00 0.00 C ATOM 780 CG TYR A 47 6.944 -0.254 7.583 1.00 0.00 C ATOM 781 CD1 TYR A 47 7.793 0.071 6.539 1.00 0.00 C ATOM 782 CD2 TYR A 47 7.441 -1.044 8.613 1.00 0.00 C ATOM 783 CE1 TYR A 47 9.095 -0.374 6.517 1.00 0.00 C ATOM 784 CE2 TYR A 47 8.744 -1.493 8.596 1.00 0.00 C ATOM 785 CZ TYR A 47 9.565 -1.156 7.546 1.00 0.00 C ATOM 786 OH TYR A 47 10.862 -1.602 7.520 1.00 0.00 O ATOM 0 H TYR A 47 3.841 -0.020 5.719 1.00 0.00 H new ATOM 0 HA TYR A 47 4.948 -1.818 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.376 0.924 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.364 0.812 8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.427 0.684 5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.797 -1.310 9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.745 -0.110 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.118 -2.106 9.403 1.00 0.00 H new ATOM 0 HH TYR A 47 11.039 -2.141 8.319 1.00 0.00 H new ATOM 796 N ASN A 48 2.312 0.022 8.023 1.00 0.00 N ATOM 797 CA ASN A 48 1.130 0.330 8.812 1.00 0.00 C ATOM 798 C ASN A 48 0.249 -0.895 8.869 1.00 0.00 C ATOM 799 O ASN A 48 -0.769 -0.950 8.223 1.00 0.00 O ATOM 800 CB ASN A 48 0.321 1.517 8.222 1.00 0.00 C ATOM 801 CG ASN A 48 0.926 2.884 8.487 1.00 0.00 C ATOM 802 OD1 ASN A 48 1.716 3.392 7.687 1.00 0.00 O ATOM 803 ND2 ASN A 48 0.541 3.505 9.576 1.00 0.00 N ATOM 0 H ASN A 48 2.243 0.311 7.047 1.00 0.00 H new ATOM 0 HA ASN A 48 1.459 0.622 9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.228 1.377 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.688 1.494 8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.896 4.438 9.784 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.114 3.055 10.215 1.00 0.00 H new ATOM 810 N VAL A 49 0.679 -1.888 9.599 1.00 0.00 N ATOM 811 CA VAL A 49 -0.061 -3.133 9.714 1.00 0.00 C ATOM 812 C VAL A 49 -1.162 -2.987 10.764 1.00 0.00 C ATOM 813 O VAL A 49 -0.874 -2.912 11.967 1.00 0.00 O ATOM 814 CB VAL A 49 0.871 -4.314 10.106 1.00 0.00 C ATOM 815 CG1 VAL A 49 0.139 -5.640 9.998 1.00 0.00 C ATOM 816 CG2 VAL A 49 2.136 -4.329 9.252 1.00 0.00 C ATOM 0 H VAL A 49 1.548 -1.866 10.132 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.501 -3.351 8.741 1.00 0.00 H new ATOM 0 HB VAL A 49 1.168 -4.169 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.812 -6.451 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.722 -5.636 10.667 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.199 -5.786 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.767 -5.166 9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.865 -4.436 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.681 -3.396 9.393 1.00 0.00 H new ATOM 826 N ARG A 50 -2.397 -2.919 10.317 1.00 0.00 N ATOM 827 CA ARG A 50 -3.552 -2.768 11.229 1.00 0.00 C ATOM 828 C ARG A 50 -4.646 -3.778 10.875 1.00 0.00 C ATOM 829 O ARG A 50 -5.829 -3.575 11.146 1.00 0.00 O ATOM 830 CB ARG A 50 -4.122 -1.329 11.167 1.00 0.00 C ATOM 831 CG ARG A 50 -4.683 -0.917 9.800 1.00 0.00 C ATOM 832 CD ARG A 50 -3.655 -0.167 8.971 1.00 0.00 C ATOM 833 NE ARG A 50 -3.642 -0.609 7.570 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.281 0.005 6.558 1.00 0.00 C ATOM 835 NH1 ARG A 50 -5.059 1.064 6.791 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.142 -0.448 5.316 1.00 0.00 N ATOM 0 H ARG A 50 -2.646 -2.964 9.329 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.206 -2.959 12.245 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.912 -1.234 11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.335 -0.629 11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.009 -1.805 9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.563 -0.290 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.868 0.901 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.666 -0.311 9.405 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.106 -1.448 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.173 1.414 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.540 1.524 6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.552 -1.259 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.625 0.016 4.547 1.00 0.00 H new ATOM 850 N GLY A 51 -4.236 -4.857 10.295 1.00 0.00 N ATOM 851 CA GLY A 51 -5.158 -5.852 9.770 1.00 0.00 C ATOM 852 C GLY A 51 -4.818 -6.010 8.335 1.00 0.00 C ATOM 853 O GLY A 51 -4.867 -7.093 7.752 1.00 0.00 O ATOM 0 H GLY A 51 -3.252 -5.089 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.055 -6.798 10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.192 -5.529 9.892 1.00 0.00 H new ATOM 857 N LYS A 52 -4.431 -4.901 7.793 1.00 0.00 N ATOM 858 CA LYS A 52 -3.834 -4.788 6.520 1.00 0.00 C ATOM 859 C LYS A 52 -2.501 -4.227 6.860 1.00 0.00 C ATOM 860 O LYS A 52 -1.498 -4.923 6.706 1.00 0.00 O ATOM 861 CB LYS A 52 -4.576 -3.801 5.596 1.00 0.00 C ATOM 862 CG LYS A 52 -5.980 -4.209 5.186 1.00 0.00 C ATOM 863 CD LYS A 52 -7.003 -3.790 6.218 1.00 0.00 C ATOM 864 CE LYS A 52 -8.386 -4.221 5.810 1.00 0.00 C ATOM 865 NZ LYS A 52 -9.371 -3.937 6.860 1.00 0.00 N ATOM 866 OXT LYS A 52 -2.502 -3.128 7.468 1.00 0.00 O ATOM 0 H LYS A 52 -4.533 -4.001 8.263 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.827 -5.736 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.630 -2.834 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.981 -3.660 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.225 -3.757 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.021 -5.290 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.751 -4.228 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.977 -2.707 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.672 -3.707 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.385 -5.289 5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.313 -4.247 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.110 -4.448 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.389 -2.915 7.052 1.00 0.00 H new TER 880 LYS A 52