USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 491 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 44 ASN : amide:sc= 2.41 K(o=4.2,f=-5.6!) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.3 K(o=4.2,f=-15!) USER MOD Set 1.3: A 50 SER OG : rot 69:sc= 0.473 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0834) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.427 (180deg=-0.717) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 9 GLN : amide:sc= -0.102 K(o=-0.1,f=-3!) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc=-0.00589 (180deg=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= -0.0217 (180deg=-0.883) USER MOD Single : A 22 SER OG : rot 86:sc= 1.86 USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.954 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0693) USER MOD Single : A 30 THR OG1 : rot 85:sc= 1.83 USER MOD Single : A 32 THR OG1 : rot -76:sc= 1.05 USER MOD Single : A 33 SER OG : rot 81:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc=-0.00182 (180deg=-0.0555) USER MOD Single : A 36 SER OG : rot 77:sc= 1.17 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0365) USER MOD Single : A 40 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0196 (180deg=-0.186) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.007 (180deg=-0.104) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.179 K(o=0.18,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= -0.0184 (180deg=-0.106) USER MOD Single : A 51 GLN : amide:sc= 1.14 K(o=1.1,f=-0.99) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0.252 (180deg=0.218) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.877 11.133 11.042 1.00 0.00 N ATOM 2 CA MET A 1 -16.120 10.708 9.671 1.00 0.00 C ATOM 3 C MET A 1 -15.277 9.479 9.301 1.00 0.00 C ATOM 4 O MET A 1 -15.328 9.017 8.161 1.00 0.00 O ATOM 5 CB MET A 1 -15.847 11.872 8.708 1.00 0.00 C ATOM 6 CG MET A 1 -16.725 13.097 9.007 1.00 0.00 C ATOM 7 SD MET A 1 -16.498 14.524 7.910 1.00 0.00 S ATOM 8 CE MET A 1 -17.132 13.864 6.352 1.00 0.00 C ATOM 0 H1 MET A 1 -16.578 11.852 11.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.957 10.314 11.679 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.921 11.537 11.116 1.00 0.00 H new ATOM 0 HA MET A 1 -17.166 10.416 9.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.797 12.156 8.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.024 11.542 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.770 12.790 8.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.532 13.417 10.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.192 14.665 5.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.462 13.085 5.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.125 13.444 6.512 1.00 0.00 H new ATOM 18 N ALA A 2 -14.511 8.943 10.260 1.00 0.00 N ATOM 19 CA ALA A 2 -13.576 7.840 10.061 1.00 0.00 C ATOM 20 C ALA A 2 -14.189 6.711 9.230 1.00 0.00 C ATOM 21 O ALA A 2 -13.583 6.253 8.265 1.00 0.00 O ATOM 22 CB ALA A 2 -13.089 7.328 11.417 1.00 0.00 C ATOM 0 H ALA A 2 -14.529 9.279 11.223 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.723 8.214 9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.391 6.505 11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.588 8.135 11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.940 6.979 12.001 1.00 0.00 H new ATOM 28 N SER A 3 -15.401 6.279 9.585 1.00 0.00 N ATOM 29 CA SER A 3 -16.143 5.275 8.844 1.00 0.00 C ATOM 30 C SER A 3 -16.260 5.644 7.362 1.00 0.00 C ATOM 31 O SER A 3 -15.950 4.838 6.492 1.00 0.00 O ATOM 32 CB SER A 3 -17.525 5.126 9.489 1.00 0.00 C ATOM 33 OG SER A 3 -17.380 5.154 10.898 1.00 0.00 O ATOM 0 H SER A 3 -15.895 6.626 10.407 1.00 0.00 H new ATOM 0 HA SER A 3 -15.611 4.324 8.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.182 5.932 9.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.988 4.190 9.176 1.00 0.00 H new ATOM 0 HG SER A 3 -18.260 5.061 11.319 1.00 0.00 H new ATOM 39 N VAL A 4 -16.690 6.873 7.069 1.00 0.00 N ATOM 40 CA VAL A 4 -16.889 7.327 5.701 1.00 0.00 C ATOM 41 C VAL A 4 -15.546 7.337 4.973 1.00 0.00 C ATOM 42 O VAL A 4 -15.438 6.822 3.861 1.00 0.00 O ATOM 43 CB VAL A 4 -17.566 8.708 5.694 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.784 9.212 4.263 1.00 0.00 C ATOM 45 CG2 VAL A 4 -18.920 8.659 6.415 1.00 0.00 C ATOM 0 H VAL A 4 -16.908 7.576 7.775 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.553 6.644 5.172 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.900 9.393 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.264 10.190 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.823 9.294 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.420 8.511 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.378 9.648 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.574 7.946 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.771 8.348 7.449 1.00 0.00 H new ATOM 55 N LEU A 5 -14.512 7.898 5.607 1.00 0.00 N ATOM 56 CA LEU A 5 -13.169 7.894 5.040 1.00 0.00 C ATOM 57 C LEU A 5 -12.745 6.461 4.698 1.00 0.00 C ATOM 58 O LEU A 5 -12.290 6.196 3.586 1.00 0.00 O ATOM 59 CB LEU A 5 -12.167 8.561 5.996 1.00 0.00 C ATOM 60 CG LEU A 5 -12.500 10.023 6.343 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.452 10.560 7.324 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.538 10.924 5.104 1.00 0.00 C ATOM 0 H LEU A 5 -14.584 8.360 6.514 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.177 8.476 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.122 7.982 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.174 8.523 5.547 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.494 10.036 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.684 11.596 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.462 9.958 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.465 10.509 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.777 11.944 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.565 10.908 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.299 10.561 4.413 1.00 0.00 H new ATOM 74 N GLU A 6 -12.926 5.532 5.638 1.00 0.00 N ATOM 75 CA GLU A 6 -12.624 4.122 5.448 1.00 0.00 C ATOM 76 C GLU A 6 -13.396 3.558 4.249 1.00 0.00 C ATOM 77 O GLU A 6 -12.799 2.920 3.386 1.00 0.00 O ATOM 78 CB GLU A 6 -12.912 3.355 6.746 1.00 0.00 C ATOM 79 CG GLU A 6 -12.454 1.893 6.671 1.00 0.00 C ATOM 80 CD GLU A 6 -12.671 1.178 8.002 1.00 0.00 C ATOM 81 OE1 GLU A 6 -13.837 1.163 8.455 1.00 0.00 O ATOM 82 OE2 GLU A 6 -11.668 0.668 8.545 1.00 0.00 O ATOM 0 H GLU A 6 -13.292 5.747 6.565 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.565 4.002 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.409 3.849 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.981 3.388 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.004 1.377 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.399 1.853 6.401 1.00 0.00 H new ATOM 89 N GLU A 7 -14.710 3.791 4.182 1.00 0.00 N ATOM 90 CA GLU A 7 -15.545 3.347 3.069 1.00 0.00 C ATOM 91 C GLU A 7 -14.986 3.859 1.735 1.00 0.00 C ATOM 92 O GLU A 7 -14.796 3.085 0.797 1.00 0.00 O ATOM 93 CB GLU A 7 -16.993 3.817 3.278 1.00 0.00 C ATOM 94 CG GLU A 7 -17.678 3.090 4.446 1.00 0.00 C ATOM 95 CD GLU A 7 -18.950 3.811 4.889 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.881 3.877 4.056 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.967 4.291 6.044 1.00 0.00 O ATOM 0 H GLU A 7 -15.224 4.296 4.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.538 2.258 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.001 4.891 3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.563 3.649 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.922 2.070 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.988 3.019 5.287 1.00 0.00 H new ATOM 104 N LEU A 8 -14.717 5.162 1.643 1.00 0.00 N ATOM 105 CA LEU A 8 -14.180 5.761 0.427 1.00 0.00 C ATOM 106 C LEU A 8 -12.823 5.139 0.074 1.00 0.00 C ATOM 107 O LEU A 8 -12.583 4.782 -1.077 1.00 0.00 O ATOM 108 CB LEU A 8 -14.097 7.287 0.583 1.00 0.00 C ATOM 109 CG LEU A 8 -15.479 7.958 0.701 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.290 9.414 1.135 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.258 7.934 -0.622 1.00 0.00 C ATOM 0 H LEU A 8 -14.865 5.825 2.404 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.853 5.552 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.508 7.524 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.568 7.706 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.055 7.397 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.263 9.897 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.784 9.443 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.688 9.940 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.224 8.419 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.692 8.464 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.412 6.901 -0.935 1.00 0.00 H new ATOM 123 N GLN A 9 -11.941 4.974 1.064 1.00 0.00 N ATOM 124 CA GLN A 9 -10.655 4.315 0.885 1.00 0.00 C ATOM 125 C GLN A 9 -10.858 2.895 0.327 1.00 0.00 C ATOM 126 O GLN A 9 -10.203 2.502 -0.637 1.00 0.00 O ATOM 127 CB GLN A 9 -9.901 4.353 2.227 1.00 0.00 C ATOM 128 CG GLN A 9 -8.401 4.029 2.140 1.00 0.00 C ATOM 129 CD GLN A 9 -8.095 2.592 1.737 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.218 2.353 0.915 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.810 1.624 2.303 1.00 0.00 N ATOM 0 H GLN A 9 -12.106 5.298 2.017 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.042 4.834 0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.018 5.345 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.371 3.646 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.936 4.703 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.941 4.229 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.533 1.856 2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.635 0.650 2.056 1.00 0.00 H new ATOM 140 N LYS A 10 -11.783 2.132 0.917 1.00 0.00 N ATOM 141 CA LYS A 10 -12.132 0.793 0.463 1.00 0.00 C ATOM 142 C LYS A 10 -12.555 0.854 -1.006 1.00 0.00 C ATOM 143 O LYS A 10 -12.035 0.102 -1.825 1.00 0.00 O ATOM 144 CB LYS A 10 -13.221 0.196 1.373 1.00 0.00 C ATOM 145 CG LYS A 10 -13.365 -1.334 1.311 1.00 0.00 C ATOM 146 CD LYS A 10 -13.849 -1.861 -0.049 1.00 0.00 C ATOM 147 CE LYS A 10 -14.337 -3.313 0.028 1.00 0.00 C ATOM 148 NZ LYS A 10 -15.603 -3.435 0.773 1.00 0.00 N ATOM 0 H LYS A 10 -12.314 2.436 1.733 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.269 0.130 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.008 0.483 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.178 0.645 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.402 -1.789 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.064 -1.655 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.657 -1.228 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.037 -1.791 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.472 -3.703 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.574 -3.926 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.008 -4.380 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.423 -3.299 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.272 -2.712 0.441 1.00 0.00 H new ATOM 162 N ASP A 11 -13.475 1.758 -1.359 1.00 0.00 N ATOM 163 CA ASP A 11 -13.885 1.929 -2.748 1.00 0.00 C ATOM 164 C ASP A 11 -12.675 2.200 -3.649 1.00 0.00 C ATOM 165 O ASP A 11 -12.536 1.569 -4.694 1.00 0.00 O ATOM 166 CB ASP A 11 -14.935 3.034 -2.889 1.00 0.00 C ATOM 167 CG ASP A 11 -15.375 3.156 -4.347 1.00 0.00 C ATOM 168 OD1 ASP A 11 -16.190 2.307 -4.766 1.00 0.00 O ATOM 169 OD2 ASP A 11 -14.873 4.083 -5.017 1.00 0.00 O ATOM 0 H ASP A 11 -13.946 2.379 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.344 0.996 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.796 2.811 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.524 3.983 -2.544 1.00 0.00 H new ATOM 174 N LEU A 12 -11.797 3.121 -3.235 1.00 0.00 N ATOM 175 CA LEU A 12 -10.563 3.444 -3.946 1.00 0.00 C ATOM 176 C LEU A 12 -9.762 2.162 -4.219 1.00 0.00 C ATOM 177 O LEU A 12 -9.442 1.858 -5.370 1.00 0.00 O ATOM 178 CB LEU A 12 -9.768 4.501 -3.157 1.00 0.00 C ATOM 179 CG LEU A 12 -8.823 5.358 -4.019 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.322 6.536 -3.176 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.613 4.572 -4.539 1.00 0.00 C ATOM 0 H LEU A 12 -11.929 3.668 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.791 3.881 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.470 5.159 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.183 3.998 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.388 5.697 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.651 7.152 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.171 7.136 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.787 6.158 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.984 5.228 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.038 4.190 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.957 3.738 -5.152 1.00 0.00 H new ATOM 193 N GLU A 13 -9.470 1.381 -3.172 1.00 0.00 N ATOM 194 CA GLU A 13 -8.827 0.080 -3.328 1.00 0.00 C ATOM 195 C GLU A 13 -9.579 -0.790 -4.333 1.00 0.00 C ATOM 196 O GLU A 13 -8.974 -1.314 -5.262 1.00 0.00 O ATOM 197 CB GLU A 13 -8.715 -0.642 -1.979 1.00 0.00 C ATOM 198 CG GLU A 13 -7.445 -0.205 -1.246 1.00 0.00 C ATOM 199 CD GLU A 13 -7.353 -0.803 0.156 1.00 0.00 C ATOM 200 OE1 GLU A 13 -8.363 -0.713 0.890 1.00 0.00 O ATOM 201 OE2 GLU A 13 -6.275 -1.351 0.470 1.00 0.00 O ATOM 0 H GLU A 13 -9.672 1.633 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.822 0.254 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.590 -0.422 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.699 -1.720 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.572 -0.505 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.423 0.883 -1.177 1.00 0.00 H new ATOM 208 N GLU A 14 -10.887 -0.965 -4.140 1.00 0.00 N ATOM 209 CA GLU A 14 -11.703 -1.826 -4.978 1.00 0.00 C ATOM 210 C GLU A 14 -11.533 -1.455 -6.453 1.00 0.00 C ATOM 211 O GLU A 14 -11.216 -2.318 -7.272 1.00 0.00 O ATOM 212 CB GLU A 14 -13.168 -1.759 -4.522 1.00 0.00 C ATOM 213 CG GLU A 14 -14.024 -2.835 -5.203 1.00 0.00 C ATOM 214 CD GLU A 14 -15.457 -2.803 -4.684 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.640 -3.191 -3.510 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.339 -2.386 -5.464 1.00 0.00 O ATOM 0 H GLU A 14 -11.407 -0.508 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.373 -2.859 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.219 -1.884 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.575 -0.773 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.021 -2.679 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.590 -3.818 -5.022 1.00 0.00 H new ATOM 223 N VAL A 15 -11.726 -0.175 -6.794 1.00 0.00 N ATOM 224 CA VAL A 15 -11.580 0.254 -8.174 1.00 0.00 C ATOM 225 C VAL A 15 -10.150 0.005 -8.652 1.00 0.00 C ATOM 226 O VAL A 15 -9.976 -0.628 -9.687 1.00 0.00 O ATOM 227 CB VAL A 15 -12.102 1.683 -8.418 1.00 0.00 C ATOM 228 CG1 VAL A 15 -11.320 2.791 -7.708 1.00 0.00 C ATOM 229 CG2 VAL A 15 -12.109 1.986 -9.919 1.00 0.00 C ATOM 0 H VAL A 15 -11.979 0.565 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.229 -0.359 -8.800 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.106 1.690 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.765 3.758 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.354 2.628 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.283 2.777 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.479 2.998 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.096 1.902 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.757 1.275 -10.431 1.00 0.00 H new ATOM 239 N LYS A 16 -9.133 0.448 -7.901 1.00 0.00 N ATOM 240 CA LYS A 16 -7.726 0.272 -8.258 1.00 0.00 C ATOM 241 C LYS A 16 -7.439 -1.194 -8.615 1.00 0.00 C ATOM 242 O LYS A 16 -6.945 -1.507 -9.701 1.00 0.00 O ATOM 243 CB LYS A 16 -6.857 0.758 -7.088 1.00 0.00 C ATOM 244 CG LYS A 16 -5.366 0.836 -7.442 1.00 0.00 C ATOM 245 CD LYS A 16 -4.498 1.008 -6.187 1.00 0.00 C ATOM 246 CE LYS A 16 -4.899 2.236 -5.358 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.972 2.448 -4.233 1.00 0.00 N ATOM 0 H LYS A 16 -9.269 0.943 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.486 0.864 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.202 1.742 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.989 0.086 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.068 -0.070 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.195 1.671 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.578 0.114 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.453 1.099 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.909 3.120 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.912 2.106 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.269 3.285 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.982 1.613 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.010 2.596 -4.599 1.00 0.00 H new ATOM 261 N VAL A 17 -7.783 -2.088 -7.692 1.00 0.00 N ATOM 262 CA VAL A 17 -7.625 -3.523 -7.837 1.00 0.00 C ATOM 263 C VAL A 17 -8.382 -4.009 -9.080 1.00 0.00 C ATOM 264 O VAL A 17 -7.821 -4.763 -9.878 1.00 0.00 O ATOM 265 CB VAL A 17 -8.051 -4.197 -6.519 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.116 -5.721 -6.627 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.044 -3.855 -5.409 1.00 0.00 C ATOM 0 H VAL A 17 -8.192 -1.820 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.585 -3.801 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.048 -3.820 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.421 -6.141 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.839 -6.001 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.134 -6.109 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.351 -4.334 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.054 -4.213 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.012 -2.775 -5.267 1.00 0.00 H new ATOM 277 N LEU A 18 -9.624 -3.555 -9.291 1.00 0.00 N ATOM 278 CA LEU A 18 -10.315 -3.825 -10.547 1.00 0.00 C ATOM 279 C LEU A 18 -9.513 -3.362 -11.759 1.00 0.00 C ATOM 280 O LEU A 18 -9.444 -4.113 -12.724 1.00 0.00 O ATOM 281 CB LEU A 18 -11.726 -3.220 -10.622 1.00 0.00 C ATOM 282 CG LEU A 18 -12.903 -4.180 -10.382 1.00 0.00 C ATOM 283 CD1 LEU A 18 -14.152 -3.479 -10.930 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.782 -5.523 -11.120 1.00 0.00 C ATOM 0 H LEU A 18 -10.160 -3.008 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.415 -4.910 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.790 -2.414 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.851 -2.768 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.935 -4.403 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.022 -4.120 -10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.302 -2.538 -10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.021 -3.281 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.652 -6.140 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.729 -5.345 -12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.878 -6.038 -10.793 1.00 0.00 H new ATOM 296 N LEU A 19 -8.952 -2.148 -11.758 1.00 0.00 N ATOM 297 CA LEU A 19 -8.207 -1.654 -12.914 1.00 0.00 C ATOM 298 C LEU A 19 -7.097 -2.646 -13.251 1.00 0.00 C ATOM 299 O LEU A 19 -6.987 -3.103 -14.390 1.00 0.00 O ATOM 300 CB LEU A 19 -7.595 -0.260 -12.692 1.00 0.00 C ATOM 301 CG LEU A 19 -8.528 0.822 -12.142 1.00 0.00 C ATOM 302 CD1 LEU A 19 -7.875 2.194 -12.312 1.00 0.00 C ATOM 303 CD2 LEU A 19 -9.909 0.805 -12.798 1.00 0.00 C ATOM 0 H LEU A 19 -9.000 -1.496 -10.975 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.915 -1.560 -13.737 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.753 -0.363 -12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.192 0.090 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.685 0.611 -11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.539 2.964 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.931 2.218 -11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.688 2.380 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.526 1.594 -12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.804 0.970 -13.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.382 -0.161 -12.624 1.00 0.00 H new ATOM 315 N GLU A 20 -6.303 -2.988 -12.233 1.00 0.00 N ATOM 316 CA GLU A 20 -5.211 -3.940 -12.357 1.00 0.00 C ATOM 317 C GLU A 20 -5.721 -5.256 -12.953 1.00 0.00 C ATOM 318 O GLU A 20 -5.278 -5.662 -14.027 1.00 0.00 O ATOM 319 CB GLU A 20 -4.550 -4.153 -10.987 1.00 0.00 C ATOM 320 CG GLU A 20 -3.878 -2.874 -10.468 1.00 0.00 C ATOM 321 CD GLU A 20 -3.393 -3.048 -9.032 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.330 -3.686 -8.868 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.098 -2.554 -8.125 1.00 0.00 O ATOM 0 H GLU A 20 -6.406 -2.605 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.456 -3.544 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.301 -4.485 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.808 -4.948 -11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.036 -2.617 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.583 -2.044 -10.518 1.00 0.00 H new ATOM 330 N LYS A 21 -6.659 -5.914 -12.263 1.00 0.00 N ATOM 331 CA LYS A 21 -7.164 -7.224 -12.670 1.00 0.00 C ATOM 332 C LYS A 21 -7.814 -7.179 -14.057 1.00 0.00 C ATOM 333 O LYS A 21 -7.705 -8.133 -14.822 1.00 0.00 O ATOM 334 CB LYS A 21 -8.160 -7.757 -11.634 1.00 0.00 C ATOM 335 CG LYS A 21 -7.478 -8.078 -10.297 1.00 0.00 C ATOM 336 CD LYS A 21 -8.472 -8.462 -9.190 1.00 0.00 C ATOM 337 CE LYS A 21 -9.268 -9.745 -9.474 1.00 0.00 C ATOM 338 NZ LYS A 21 -10.495 -9.484 -10.250 1.00 0.00 N ATOM 0 H LYS A 21 -7.086 -5.553 -11.410 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.311 -7.900 -12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.946 -7.019 -11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.641 -8.655 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.772 -8.896 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.900 -7.212 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.926 -8.586 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.171 -7.639 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.638 -10.447 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.533 -10.222 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.277 -10.049 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.735 -8.474 -10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.339 -9.745 -11.245 1.00 0.00 H new ATOM 352 N SER A 22 -8.517 -6.088 -14.361 1.00 0.00 N ATOM 353 CA SER A 22 -9.165 -5.881 -15.641 1.00 0.00 C ATOM 354 C SER A 22 -8.122 -5.816 -16.749 1.00 0.00 C ATOM 355 O SER A 22 -8.249 -6.519 -17.749 1.00 0.00 O ATOM 356 CB SER A 22 -10.016 -4.604 -15.603 1.00 0.00 C ATOM 357 OG SER A 22 -11.121 -4.809 -14.749 1.00 0.00 O ATOM 0 H SER A 22 -8.650 -5.315 -13.709 1.00 0.00 H new ATOM 0 HA SER A 22 -9.828 -6.721 -15.848 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.418 -3.764 -15.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.358 -4.351 -16.606 1.00 0.00 H new ATOM 0 HG SER A 22 -10.860 -4.615 -13.824 1.00 0.00 H new ATOM 363 N THR A 23 -7.145 -4.913 -16.619 1.00 0.00 N ATOM 364 CA THR A 23 -6.064 -4.709 -17.585 1.00 0.00 C ATOM 365 C THR A 23 -6.525 -4.076 -18.909 1.00 0.00 C ATOM 366 O THR A 23 -5.768 -3.328 -19.524 1.00 0.00 O ATOM 367 CB THR A 23 -5.256 -6.005 -17.787 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.115 -6.727 -16.575 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.852 -5.712 -18.324 1.00 0.00 C ATOM 0 H THR A 23 -7.084 -4.287 -15.816 1.00 0.00 H new ATOM 0 HA THR A 23 -5.394 -3.966 -17.152 1.00 0.00 H new ATOM 0 HB THR A 23 -5.815 -6.600 -18.509 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.119 -6.102 -15.820 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.310 -6.648 -18.455 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.929 -5.200 -19.283 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.317 -5.078 -17.617 1.00 0.00 H new ATOM 377 N ARG A 24 -7.754 -4.356 -19.354 1.00 0.00 N ATOM 378 CA ARG A 24 -8.426 -3.686 -20.457 1.00 0.00 C ATOM 379 C ARG A 24 -8.222 -2.172 -20.345 1.00 0.00 C ATOM 380 O ARG A 24 -8.181 -1.643 -19.235 1.00 0.00 O ATOM 381 CB ARG A 24 -9.931 -3.984 -20.361 1.00 0.00 C ATOM 382 CG ARG A 24 -10.291 -5.467 -20.529 1.00 0.00 C ATOM 383 CD ARG A 24 -11.730 -5.725 -20.060 1.00 0.00 C ATOM 384 NE ARG A 24 -11.855 -5.607 -18.596 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.015 -5.649 -17.924 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.165 -5.809 -18.589 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.038 -5.544 -16.588 1.00 0.00 N ATOM 0 H ARG A 24 -8.327 -5.088 -18.933 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.019 -4.040 -21.404 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.297 -3.640 -19.394 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.454 -3.406 -21.123 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.185 -5.757 -21.574 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.599 -6.083 -19.955 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.403 -5.015 -20.541 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.042 -6.722 -20.373 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.999 -5.485 -18.056 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.158 -5.899 -19.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.048 -5.841 -18.080 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.167 -5.431 -16.070 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.927 -5.577 -16.089 1.00 0.00 H new ATOM 401 N LYS A 25 -8.201 -1.453 -21.473 1.00 0.00 N ATOM 402 CA LYS A 25 -7.895 -0.018 -21.545 1.00 0.00 C ATOM 403 C LYS A 25 -8.862 0.887 -20.754 1.00 0.00 C ATOM 404 O LYS A 25 -8.742 2.109 -20.801 1.00 0.00 O ATOM 405 CB LYS A 25 -7.854 0.418 -23.022 1.00 0.00 C ATOM 406 CG LYS A 25 -6.872 1.565 -23.307 1.00 0.00 C ATOM 407 CD LYS A 25 -5.412 1.086 -23.337 1.00 0.00 C ATOM 408 CE LYS A 25 -4.435 2.254 -23.524 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.647 2.958 -24.802 1.00 0.00 N ATOM 0 H LYS A 25 -8.401 -1.863 -22.385 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.923 0.111 -21.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.582 -0.440 -23.636 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.854 0.725 -23.328 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.121 2.025 -24.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.984 2.335 -22.544 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.181 0.564 -22.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.281 0.369 -24.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.551 2.958 -22.700 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.412 1.880 -23.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.884 3.649 -24.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.646 2.270 -25.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.562 3.452 -24.778 1.00 0.00 H new ATOM 423 N ARG A 26 -9.813 0.314 -20.013 1.00 0.00 N ATOM 424 CA ARG A 26 -10.782 1.047 -19.222 1.00 0.00 C ATOM 425 C ARG A 26 -10.117 1.799 -18.070 1.00 0.00 C ATOM 426 O ARG A 26 -10.763 2.668 -17.492 1.00 0.00 O ATOM 427 CB ARG A 26 -11.858 0.082 -18.698 1.00 0.00 C ATOM 428 CG ARG A 26 -11.327 -0.931 -17.665 1.00 0.00 C ATOM 429 CD ARG A 26 -12.469 -1.763 -17.076 1.00 0.00 C ATOM 430 NE ARG A 26 -13.374 -0.919 -16.287 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.480 -1.354 -15.669 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.822 -2.646 -15.725 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.231 -0.476 -15.000 1.00 0.00 N ATOM 0 H ARG A 26 -9.926 -0.698 -19.950 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.252 1.794 -19.862 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.664 0.660 -18.246 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.288 -0.461 -19.539 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.598 -1.590 -18.138 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.807 -0.402 -16.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.024 -2.248 -17.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.062 -2.555 -16.447 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.144 0.071 -16.203 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.239 -3.306 -16.240 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.665 -2.971 -15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.959 0.506 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.077 -0.788 -14.523 1.00 0.00 H new ATOM 447 N LEU A 27 -8.881 1.431 -17.696 1.00 0.00 N ATOM 448 CA LEU A 27 -8.206 1.922 -16.498 1.00 0.00 C ATOM 449 C LEU A 27 -8.399 3.425 -16.315 1.00 0.00 C ATOM 450 O LEU A 27 -8.926 3.856 -15.296 1.00 0.00 O ATOM 451 CB LEU A 27 -6.707 1.571 -16.462 1.00 0.00 C ATOM 452 CG LEU A 27 -6.395 0.121 -16.868 1.00 0.00 C ATOM 453 CD1 LEU A 27 -5.908 0.112 -18.322 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.271 -0.484 -16.019 1.00 0.00 C ATOM 0 H LEU A 27 -8.318 0.771 -18.232 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.680 1.404 -15.664 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.170 2.247 -17.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.327 1.745 -15.455 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.306 -0.462 -16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.683 -0.911 -18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.686 0.518 -18.969 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.009 0.722 -18.408 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.084 -1.509 -16.340 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.363 0.107 -16.143 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.566 -0.481 -14.970 1.00 0.00 H new ATOM 466 N ARG A 28 -7.994 4.223 -17.305 1.00 0.00 N ATOM 467 CA ARG A 28 -8.046 5.678 -17.227 1.00 0.00 C ATOM 468 C ARG A 28 -9.485 6.174 -17.058 1.00 0.00 C ATOM 469 O ARG A 28 -9.775 6.977 -16.169 1.00 0.00 O ATOM 470 CB ARG A 28 -7.399 6.281 -18.479 1.00 0.00 C ATOM 471 CG ARG A 28 -5.888 6.014 -18.492 1.00 0.00 C ATOM 472 CD ARG A 28 -5.232 6.478 -19.798 1.00 0.00 C ATOM 473 NE ARG A 28 -5.400 7.923 -20.018 1.00 0.00 N ATOM 474 CZ ARG A 28 -6.327 8.511 -20.793 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.258 7.791 -21.431 1.00 0.00 N ATOM 476 NH2 ARG A 28 -6.317 9.841 -20.922 1.00 0.00 N ATOM 0 H ARG A 28 -7.619 3.873 -18.187 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.489 6.003 -16.348 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.856 5.854 -19.372 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.584 7.355 -18.508 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.422 6.527 -17.651 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.707 4.948 -18.355 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.169 6.236 -19.775 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.666 5.931 -20.635 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.748 8.540 -19.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.273 6.776 -21.334 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.952 8.258 -22.014 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.612 10.395 -20.436 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.014 10.302 -21.507 1.00 0.00 H new ATOM 490 N ASP A 29 -10.390 5.696 -17.915 1.00 0.00 N ATOM 491 CA ASP A 29 -11.798 6.078 -17.890 1.00 0.00 C ATOM 492 C ASP A 29 -12.388 5.811 -16.501 1.00 0.00 C ATOM 493 O ASP A 29 -12.944 6.694 -15.848 1.00 0.00 O ATOM 494 CB ASP A 29 -12.559 5.281 -18.963 1.00 0.00 C ATOM 495 CG ASP A 29 -12.019 5.546 -20.365 1.00 0.00 C ATOM 496 OD1 ASP A 29 -10.901 5.054 -20.638 1.00 0.00 O ATOM 497 OD2 ASP A 29 -12.726 6.232 -21.133 1.00 0.00 O ATOM 0 H ASP A 29 -10.161 5.028 -18.651 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.893 7.143 -18.104 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.487 4.216 -18.742 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.616 5.543 -18.927 1.00 0.00 H new ATOM 502 N THR A 30 -12.230 4.567 -16.057 1.00 0.00 N ATOM 503 CA THR A 30 -12.722 4.063 -14.788 1.00 0.00 C ATOM 504 C THR A 30 -12.120 4.882 -13.638 1.00 0.00 C ATOM 505 O THR A 30 -12.849 5.363 -12.772 1.00 0.00 O ATOM 506 CB THR A 30 -12.383 2.566 -14.699 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.839 1.884 -15.851 1.00 0.00 O ATOM 508 CG2 THR A 30 -13.028 1.893 -13.490 1.00 0.00 C ATOM 0 H THR A 30 -11.735 3.857 -16.597 1.00 0.00 H new ATOM 0 HA THR A 30 -13.804 4.169 -14.712 1.00 0.00 H new ATOM 0 HB THR A 30 -11.298 2.509 -14.609 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.169 1.959 -16.562 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.757 0.837 -13.474 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.676 2.372 -12.576 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.112 1.989 -13.556 1.00 0.00 H new ATOM 516 N LEU A 31 -10.794 5.053 -13.651 1.00 0.00 N ATOM 517 CA LEU A 31 -10.040 5.813 -12.666 1.00 0.00 C ATOM 518 C LEU A 31 -10.614 7.217 -12.538 1.00 0.00 C ATOM 519 O LEU A 31 -11.048 7.601 -11.459 1.00 0.00 O ATOM 520 CB LEU A 31 -8.554 5.862 -13.066 1.00 0.00 C ATOM 521 CG LEU A 31 -7.670 6.720 -12.147 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.655 6.180 -10.714 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.240 6.732 -12.697 1.00 0.00 C ATOM 0 H LEU A 31 -10.201 4.649 -14.376 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.119 5.322 -11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.162 4.845 -13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.478 6.246 -14.083 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.081 7.729 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.020 6.812 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.669 6.181 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.266 5.162 -10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.606 7.339 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.854 5.713 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.240 7.153 -13.703 1.00 0.00 H new ATOM 535 N THR A 32 -10.600 7.991 -13.626 1.00 0.00 N ATOM 536 CA THR A 32 -11.055 9.374 -13.606 1.00 0.00 C ATOM 537 C THR A 32 -12.498 9.458 -13.097 1.00 0.00 C ATOM 538 O THR A 32 -12.797 10.243 -12.193 1.00 0.00 O ATOM 539 CB THR A 32 -10.888 10.012 -14.992 1.00 0.00 C ATOM 540 OG1 THR A 32 -11.455 9.196 -15.997 1.00 0.00 O ATOM 541 CG2 THR A 32 -9.410 10.244 -15.318 1.00 0.00 C ATOM 0 H THR A 32 -10.274 7.674 -14.539 1.00 0.00 H new ATOM 0 HA THR A 32 -10.437 9.943 -12.912 1.00 0.00 H new ATOM 0 HB THR A 32 -11.407 10.970 -14.968 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.859 8.440 -16.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.322 10.697 -16.306 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.973 10.910 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.881 9.291 -15.307 1.00 0.00 H new ATOM 549 N SER A 33 -13.385 8.627 -13.652 1.00 0.00 N ATOM 550 CA SER A 33 -14.778 8.582 -13.235 1.00 0.00 C ATOM 551 C SER A 33 -14.898 8.345 -11.726 1.00 0.00 C ATOM 552 O SER A 33 -15.503 9.147 -11.011 1.00 0.00 O ATOM 553 CB SER A 33 -15.530 7.506 -14.028 1.00 0.00 C ATOM 554 OG SER A 33 -15.434 7.768 -15.413 1.00 0.00 O ATOM 0 H SER A 33 -13.153 7.972 -14.399 1.00 0.00 H new ATOM 0 HA SER A 33 -15.234 9.549 -13.447 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.115 6.523 -13.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.577 7.485 -13.726 1.00 0.00 H new ATOM 0 HG SER A 33 -14.574 7.440 -15.749 1.00 0.00 H new ATOM 560 N GLU A 34 -14.330 7.240 -11.235 1.00 0.00 N ATOM 561 CA GLU A 34 -14.490 6.867 -9.838 1.00 0.00 C ATOM 562 C GLU A 34 -13.807 7.890 -8.929 1.00 0.00 C ATOM 563 O GLU A 34 -14.371 8.272 -7.914 1.00 0.00 O ATOM 564 CB GLU A 34 -13.994 5.436 -9.595 1.00 0.00 C ATOM 565 CG GLU A 34 -14.532 4.873 -8.268 1.00 0.00 C ATOM 566 CD GLU A 34 -16.037 4.616 -8.311 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.414 3.578 -8.897 1.00 0.00 O ATOM 568 OE2 GLU A 34 -16.782 5.468 -7.781 1.00 0.00 O ATOM 0 H GLU A 34 -13.760 6.596 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.551 6.876 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.310 4.795 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.904 5.424 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.014 3.943 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.309 5.573 -7.463 1.00 0.00 H new ATOM 575 N LYS A 35 -12.615 8.366 -9.297 1.00 0.00 N ATOM 576 CA LYS A 35 -11.924 9.437 -8.589 1.00 0.00 C ATOM 577 C LYS A 35 -12.862 10.634 -8.418 1.00 0.00 C ATOM 578 O LYS A 35 -13.046 11.132 -7.306 1.00 0.00 O ATOM 579 CB LYS A 35 -10.644 9.803 -9.358 1.00 0.00 C ATOM 580 CG LYS A 35 -9.814 10.887 -8.659 1.00 0.00 C ATOM 581 CD LYS A 35 -8.588 11.309 -9.485 1.00 0.00 C ATOM 582 CE LYS A 35 -7.617 10.163 -9.793 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.170 9.472 -8.570 1.00 0.00 N ATOM 0 H LYS A 35 -12.100 8.013 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.633 9.111 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.033 8.909 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.913 10.147 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.442 11.759 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.485 10.519 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.928 11.745 -10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.052 12.091 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.101 9.447 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.750 10.556 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.464 8.750 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.746 10.161 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.985 9.017 -8.111 1.00 0.00 H new ATOM 597 N SER A 36 -13.476 11.085 -9.517 1.00 0.00 N ATOM 598 CA SER A 36 -14.423 12.189 -9.471 1.00 0.00 C ATOM 599 C SER A 36 -15.542 11.903 -8.463 1.00 0.00 C ATOM 600 O SER A 36 -15.816 12.737 -7.601 1.00 0.00 O ATOM 601 CB SER A 36 -14.974 12.486 -10.870 1.00 0.00 C ATOM 602 OG SER A 36 -13.906 12.746 -11.760 1.00 0.00 O ATOM 0 H SER A 36 -13.329 10.697 -10.449 1.00 0.00 H new ATOM 0 HA SER A 36 -13.901 13.083 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.560 11.639 -11.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.645 13.344 -10.832 1.00 0.00 H new ATOM 0 HG SER A 36 -13.476 11.902 -12.010 1.00 0.00 H new ATOM 608 N LYS A 37 -16.175 10.728 -8.555 1.00 0.00 N ATOM 609 CA LYS A 37 -17.199 10.316 -7.599 1.00 0.00 C ATOM 610 C LYS A 37 -16.679 10.381 -6.159 1.00 0.00 C ATOM 611 O LYS A 37 -17.298 11.033 -5.324 1.00 0.00 O ATOM 612 CB LYS A 37 -17.738 8.916 -7.930 1.00 0.00 C ATOM 613 CG LYS A 37 -18.468 8.834 -9.277 1.00 0.00 C ATOM 614 CD LYS A 37 -19.800 9.599 -9.270 1.00 0.00 C ATOM 615 CE LYS A 37 -20.609 9.331 -10.545 1.00 0.00 C ATOM 616 NZ LYS A 37 -19.902 9.796 -11.753 1.00 0.00 N ATOM 0 H LYS A 37 -15.991 10.044 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.027 11.020 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.908 8.209 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.419 8.603 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.825 9.236 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.654 7.789 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.385 9.305 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.606 10.668 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.809 8.263 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.575 9.832 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.510 9.659 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.673 10.806 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.024 9.252 -11.872 1.00 0.00 H new ATOM 630 N ILE A 38 -15.545 9.738 -5.863 1.00 0.00 N ATOM 631 CA ILE A 38 -14.943 9.726 -4.535 1.00 0.00 C ATOM 632 C ILE A 38 -14.788 11.161 -4.024 1.00 0.00 C ATOM 633 O ILE A 38 -15.258 11.474 -2.932 1.00 0.00 O ATOM 634 CB ILE A 38 -13.607 8.952 -4.547 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.862 7.448 -4.776 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.846 9.138 -3.224 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.590 6.695 -5.183 1.00 0.00 C ATOM 0 H ILE A 38 -15.015 9.205 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.599 9.200 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.001 9.351 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.266 7.008 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.618 7.324 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.909 8.582 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.634 10.196 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.455 8.768 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.823 5.641 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.199 7.115 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.842 6.793 -4.397 1.00 0.00 H new ATOM 649 N GLU A 39 -14.156 12.041 -4.807 1.00 0.00 N ATOM 650 CA GLU A 39 -13.988 13.439 -4.419 1.00 0.00 C ATOM 651 C GLU A 39 -15.343 14.113 -4.176 1.00 0.00 C ATOM 652 O GLU A 39 -15.525 14.790 -3.164 1.00 0.00 O ATOM 653 CB GLU A 39 -13.155 14.188 -5.472 1.00 0.00 C ATOM 654 CG GLU A 39 -11.653 14.166 -5.144 1.00 0.00 C ATOM 655 CD GLU A 39 -11.075 12.760 -4.991 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.163 12.227 -3.864 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.531 12.255 -5.995 1.00 0.00 O ATOM 0 H GLU A 39 -13.753 11.806 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.443 13.475 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.319 13.737 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.497 15.221 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.111 14.688 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.484 14.720 -4.221 1.00 0.00 H new ATOM 664 N THR A 40 -16.295 13.928 -5.091 1.00 0.00 N ATOM 665 CA THR A 40 -17.636 14.490 -4.970 1.00 0.00 C ATOM 666 C THR A 40 -18.269 14.071 -3.638 1.00 0.00 C ATOM 667 O THR A 40 -18.716 14.919 -2.866 1.00 0.00 O ATOM 668 CB THR A 40 -18.478 14.066 -6.186 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.861 14.526 -7.370 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.895 14.637 -6.158 1.00 0.00 C ATOM 0 H THR A 40 -16.155 13.381 -5.940 1.00 0.00 H new ATOM 0 HA THR A 40 -17.588 15.579 -4.965 1.00 0.00 H new ATOM 0 HB THR A 40 -18.541 12.978 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.107 13.941 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.439 14.303 -7.041 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.409 14.290 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.848 15.726 -6.151 1.00 0.00 H new ATOM 678 N GLU A 41 -18.289 12.764 -3.362 1.00 0.00 N ATOM 679 CA GLU A 41 -18.815 12.197 -2.131 1.00 0.00 C ATOM 680 C GLU A 41 -18.090 12.791 -0.924 1.00 0.00 C ATOM 681 O GLU A 41 -18.735 13.270 0.004 1.00 0.00 O ATOM 682 CB GLU A 41 -18.668 10.670 -2.151 1.00 0.00 C ATOM 683 CG GLU A 41 -19.598 10.012 -3.178 1.00 0.00 C ATOM 684 CD GLU A 41 -19.308 8.518 -3.293 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.298 8.186 -3.950 1.00 0.00 O ATOM 686 OE2 GLU A 41 -20.091 7.740 -2.707 1.00 0.00 O ATOM 0 H GLU A 41 -17.930 12.060 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.874 12.443 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.635 10.409 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.885 10.273 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.637 10.164 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.469 10.488 -4.150 1.00 0.00 H new ATOM 693 N LEU A 42 -16.756 12.745 -0.931 1.00 0.00 N ATOM 694 CA LEU A 42 -15.922 13.237 0.153 1.00 0.00 C ATOM 695 C LEU A 42 -16.283 14.686 0.484 1.00 0.00 C ATOM 696 O LEU A 42 -16.564 15.004 1.637 1.00 0.00 O ATOM 697 CB LEU A 42 -14.442 13.082 -0.231 1.00 0.00 C ATOM 698 CG LEU A 42 -13.452 13.590 0.830 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.560 12.803 2.142 1.00 0.00 C ATOM 700 CD2 LEU A 42 -12.027 13.461 0.279 1.00 0.00 C ATOM 0 H LEU A 42 -16.221 12.356 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 42 -16.099 12.650 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.238 12.029 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.263 13.618 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.693 14.630 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.842 13.196 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.568 12.902 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.346 11.751 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.315 13.819 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.819 12.416 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.933 14.057 -0.629 1.00 0.00 H new ATOM 712 N LYS A 43 -16.290 15.560 -0.527 1.00 0.00 N ATOM 713 CA LYS A 43 -16.639 16.961 -0.350 1.00 0.00 C ATOM 714 C LYS A 43 -18.069 17.061 0.183 1.00 0.00 C ATOM 715 O LYS A 43 -18.299 17.648 1.237 1.00 0.00 O ATOM 716 CB LYS A 43 -16.437 17.721 -1.671 1.00 0.00 C ATOM 717 CG LYS A 43 -16.211 19.231 -1.495 1.00 0.00 C ATOM 718 CD LYS A 43 -17.431 19.996 -0.961 1.00 0.00 C ATOM 719 CE LYS A 43 -17.189 21.510 -0.931 1.00 0.00 C ATOM 720 NZ LYS A 43 -17.017 22.081 -2.278 1.00 0.00 N ATOM 0 H LYS A 43 -16.053 15.311 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.984 17.430 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.582 17.295 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.310 17.566 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.374 19.384 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.922 19.657 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.297 19.779 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.667 19.646 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.029 21.999 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.301 21.721 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.060 23.119 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.095 21.792 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.775 21.736 -2.901 1.00 0.00 H new ATOM 734 N ASN A 44 -19.038 16.481 -0.529 1.00 0.00 N ATOM 735 CA ASN A 44 -20.437 16.427 -0.117 1.00 0.00 C ATOM 736 C ASN A 44 -20.582 16.075 1.363 1.00 0.00 C ATOM 737 O ASN A 44 -21.230 16.810 2.097 1.00 0.00 O ATOM 738 CB ASN A 44 -21.207 15.491 -1.050 1.00 0.00 C ATOM 739 CG ASN A 44 -22.610 15.203 -0.537 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.538 15.998 -0.697 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.779 14.039 0.074 1.00 0.00 N ATOM 0 H ASN A 44 -18.865 16.027 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.881 17.418 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.268 15.938 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.660 14.554 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.699 13.778 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -21.989 13.404 0.190 1.00 0.00 H new ATOM 748 N LYS A 45 -19.944 15.005 1.830 1.00 0.00 N ATOM 749 CA LYS A 45 -20.053 14.567 3.215 1.00 0.00 C ATOM 750 C LYS A 45 -19.602 15.625 4.238 1.00 0.00 C ATOM 751 O LYS A 45 -20.012 15.539 5.394 1.00 0.00 O ATOM 752 CB LYS A 45 -19.315 13.233 3.391 1.00 0.00 C ATOM 753 CG LYS A 45 -20.014 12.076 2.657 1.00 0.00 C ATOM 754 CD LYS A 45 -21.202 11.525 3.461 1.00 0.00 C ATOM 755 CE LYS A 45 -21.905 10.376 2.728 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.024 9.207 2.553 1.00 0.00 N ATOM 0 H LYS A 45 -19.337 14.418 1.257 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.111 14.419 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.295 13.333 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.245 12.997 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.363 12.421 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.297 11.276 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.852 11.176 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.916 12.327 3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.793 10.080 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.244 10.723 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.582 8.400 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.281 9.433 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.587 8.962 3.464 1.00 0.00 H new ATOM 770 N MET A 46 -18.799 16.625 3.853 1.00 0.00 N ATOM 771 CA MET A 46 -18.449 17.722 4.756 1.00 0.00 C ATOM 772 C MET A 46 -19.683 18.571 5.091 1.00 0.00 C ATOM 773 O MET A 46 -19.819 19.064 6.208 1.00 0.00 O ATOM 774 CB MET A 46 -17.354 18.609 4.145 1.00 0.00 C ATOM 775 CG MET A 46 -16.094 17.829 3.753 1.00 0.00 C ATOM 776 SD MET A 46 -15.251 16.971 5.104 1.00 0.00 S ATOM 777 CE MET A 46 -13.979 16.106 4.160 1.00 0.00 C ATOM 0 H MET A 46 -18.382 16.695 2.925 1.00 0.00 H new ATOM 0 HA MET A 46 -18.067 17.282 5.677 1.00 0.00 H new ATOM 0 HB2 MET A 46 -17.752 19.111 3.263 1.00 0.00 H new ATOM 0 HB3 MET A 46 -17.084 19.387 4.860 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.365 17.095 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.390 18.521 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.358 15.520 4.838 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.451 15.443 3.436 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.358 16.832 3.636 1.00 0.00 H new ATOM 787 N GLN A 47 -20.573 18.753 4.113 1.00 0.00 N ATOM 788 CA GLN A 47 -21.812 19.514 4.225 1.00 0.00 C ATOM 789 C GLN A 47 -22.825 18.836 3.305 1.00 0.00 C ATOM 790 O GLN A 47 -22.951 19.182 2.132 1.00 0.00 O ATOM 791 CB GLN A 47 -21.576 21.018 3.961 1.00 0.00 C ATOM 792 CG GLN A 47 -21.212 21.487 2.538 1.00 0.00 C ATOM 793 CD GLN A 47 -20.043 20.731 1.920 1.00 0.00 C ATOM 794 OE1 GLN A 47 -18.905 21.186 1.962 1.00 0.00 O ATOM 795 NE2 GLN A 47 -20.312 19.572 1.331 1.00 0.00 N ATOM 0 H GLN A 47 -20.441 18.356 3.183 1.00 0.00 H new ATOM 0 HA GLN A 47 -22.216 19.505 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -22.480 21.549 4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.779 21.346 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -22.085 21.376 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -20.971 22.550 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -21.269 19.219 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -19.562 19.034 0.897 1.00 0.00 H new ATOM 804 N GLN A 48 -23.484 17.800 3.825 1.00 0.00 N ATOM 805 CA GLN A 48 -24.309 16.892 3.041 1.00 0.00 C ATOM 806 C GLN A 48 -25.425 17.605 2.269 1.00 0.00 C ATOM 807 O GLN A 48 -26.431 18.005 2.855 1.00 0.00 O ATOM 808 CB GLN A 48 -24.798 15.740 3.943 1.00 0.00 C ATOM 809 CG GLN A 48 -24.464 14.377 3.324 1.00 0.00 C ATOM 810 CD GLN A 48 -25.447 14.012 2.222 1.00 0.00 C ATOM 811 OE1 GLN A 48 -25.275 14.439 1.091 1.00 0.00 O ATOM 812 NE2 GLN A 48 -26.465 13.210 2.505 1.00 0.00 N ATOM 0 H GLN A 48 -23.457 17.568 4.818 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.699 16.456 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.333 15.821 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.875 15.822 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.452 14.398 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.482 13.610 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.592 12.863 3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.121 12.940 1.772 1.00 0.00 H new ATOM 821 N LYS A 49 -25.247 17.742 0.950 1.00 0.00 N ATOM 822 CA LYS A 49 -26.232 18.301 0.033 1.00 0.00 C ATOM 823 C LYS A 49 -27.094 17.180 -0.547 1.00 0.00 C ATOM 824 O LYS A 49 -28.290 17.364 -0.771 1.00 0.00 O ATOM 825 CB LYS A 49 -25.520 19.057 -1.096 1.00 0.00 C ATOM 826 CG LYS A 49 -24.864 20.345 -0.581 1.00 0.00 C ATOM 827 CD LYS A 49 -24.109 21.109 -1.680 1.00 0.00 C ATOM 828 CE LYS A 49 -22.970 20.304 -2.323 1.00 0.00 C ATOM 829 NZ LYS A 49 -22.054 19.740 -1.316 1.00 0.00 N ATOM 0 H LYS A 49 -24.386 17.457 0.483 1.00 0.00 H new ATOM 0 HA LYS A 49 -26.874 18.996 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.762 18.415 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.236 19.300 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.630 20.993 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -24.172 20.098 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -24.816 21.404 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.699 22.026 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -23.391 19.497 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.410 20.947 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.230 19.322 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.737 20.494 -0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.548 19.005 -0.770 1.00 0.00 H new ATOM 843 N SER A 50 -26.497 16.009 -0.784 1.00 0.00 N ATOM 844 CA SER A 50 -27.168 14.851 -1.360 1.00 0.00 C ATOM 845 C SER A 50 -28.052 14.166 -0.308 1.00 0.00 C ATOM 846 O SER A 50 -27.871 12.990 0.018 1.00 0.00 O ATOM 847 CB SER A 50 -26.111 13.900 -1.944 1.00 0.00 C ATOM 848 OG SER A 50 -25.148 14.628 -2.689 1.00 0.00 O ATOM 0 H SER A 50 -25.513 15.841 -0.575 1.00 0.00 H new ATOM 0 HA SER A 50 -27.829 15.163 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 50 -25.620 13.353 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 50 -26.592 13.160 -2.584 1.00 0.00 H new ATOM 0 HG SER A 50 -24.605 15.171 -2.080 1.00 0.00 H new ATOM 854 N GLN A 51 -29.010 14.906 0.251 1.00 0.00 N ATOM 855 CA GLN A 51 -29.873 14.431 1.319 1.00 0.00 C ATOM 856 C GLN A 51 -30.982 13.556 0.733 1.00 0.00 C ATOM 857 O GLN A 51 -32.153 13.934 0.723 1.00 0.00 O ATOM 858 CB GLN A 51 -30.423 15.615 2.123 1.00 0.00 C ATOM 859 CG GLN A 51 -29.290 16.459 2.724 1.00 0.00 C ATOM 860 CD GLN A 51 -29.805 17.550 3.657 1.00 0.00 C ATOM 861 OE1 GLN A 51 -30.974 17.571 4.031 1.00 0.00 O ATOM 862 NE2 GLN A 51 -28.927 18.467 4.049 1.00 0.00 N ATOM 0 H GLN A 51 -29.207 15.866 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 51 -29.301 13.815 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -31.041 16.239 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -31.067 15.247 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -28.609 15.809 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -28.715 16.916 1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -27.962 18.423 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -29.218 19.215 4.678 1.00 0.00 H new ATOM 871 N LYS A 52 -30.602 12.373 0.243 1.00 0.00 N ATOM 872 CA LYS A 52 -31.528 11.389 -0.292 1.00 0.00 C ATOM 873 C LYS A 52 -32.409 10.823 0.826 1.00 0.00 C ATOM 874 O LYS A 52 -32.169 9.725 1.326 1.00 0.00 O ATOM 875 CB LYS A 52 -30.758 10.279 -1.022 1.00 0.00 C ATOM 876 CG LYS A 52 -29.989 10.767 -2.260 1.00 0.00 C ATOM 877 CD LYS A 52 -30.856 11.469 -3.320 1.00 0.00 C ATOM 878 CE LYS A 52 -32.120 10.689 -3.715 1.00 0.00 C ATOM 879 NZ LYS A 52 -31.817 9.325 -4.181 1.00 0.00 N ATOM 0 H LYS A 52 -29.627 12.074 0.209 1.00 0.00 H new ATOM 0 HA LYS A 52 -32.184 11.872 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -30.055 9.820 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -31.460 9.502 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -29.206 11.454 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -29.493 9.914 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -31.150 12.449 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -30.253 11.639 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -32.793 10.636 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -32.646 11.230 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -32.705 8.818 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -31.253 9.373 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -31.279 8.819 -3.448 1.00 0.00 H new ATOM 893 N LYS A 53 -33.436 11.583 1.211 1.00 0.00 N ATOM 894 CA LYS A 53 -34.477 11.118 2.114 1.00 0.00 C ATOM 895 C LYS A 53 -35.025 9.779 1.593 1.00 0.00 C ATOM 896 O LYS A 53 -35.162 9.620 0.379 1.00 0.00 O ATOM 897 CB LYS A 53 -35.601 12.164 2.220 1.00 0.00 C ATOM 898 CG LYS A 53 -35.139 13.609 2.476 1.00 0.00 C ATOM 899 CD LYS A 53 -34.189 13.740 3.675 1.00 0.00 C ATOM 900 CE LYS A 53 -33.792 15.203 3.916 1.00 0.00 C ATOM 901 NZ LYS A 53 -34.929 16.026 4.364 1.00 0.00 N ATOM 0 H LYS A 53 -33.565 12.546 0.899 1.00 0.00 H new ATOM 0 HA LYS A 53 -34.062 10.974 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -36.180 12.144 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -36.274 11.868 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -34.640 13.987 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -36.013 14.238 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -34.670 13.340 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -33.294 13.143 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -33.000 15.243 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -33.383 15.622 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -34.583 16.956 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -35.599 16.150 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -35.409 15.553 5.156 1.00 0.00 H new ATOM 915 N PRO A 54 -35.321 8.815 2.477 1.00 0.00 N ATOM 916 CA PRO A 54 -35.736 7.476 2.091 1.00 0.00 C ATOM 917 C PRO A 54 -37.096 7.516 1.389 1.00 0.00 C ATOM 918 O PRO A 54 -38.143 7.460 2.031 1.00 0.00 O ATOM 919 CB PRO A 54 -35.757 6.663 3.391 1.00 0.00 C ATOM 920 CG PRO A 54 -35.990 7.721 4.469 1.00 0.00 C ATOM 921 CD PRO A 54 -35.237 8.930 3.923 1.00 0.00 C ATOM 0 HA PRO A 54 -35.058 7.018 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -36.550 5.915 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -34.819 6.131 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -37.050 7.933 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -35.601 7.405 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -35.685 9.861 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -34.200 8.931 4.258 1.00 0.00 H new ATOM 929 N GLU A 55 -37.078 7.613 0.058 1.00 0.00 N ATOM 930 CA GLU A 55 -38.262 7.719 -0.777 1.00 0.00 C ATOM 931 C GLU A 55 -39.265 6.614 -0.429 1.00 0.00 C ATOM 932 O GLU A 55 -39.630 5.800 -1.277 1.00 0.00 O ATOM 933 CB GLU A 55 -37.863 7.694 -2.264 1.00 0.00 C ATOM 934 CG GLU A 55 -36.838 8.781 -2.643 1.00 0.00 C ATOM 935 CD GLU A 55 -35.392 8.280 -2.678 1.00 0.00 C ATOM 936 OE1 GLU A 55 -35.025 7.496 -1.775 1.00 0.00 O ATOM 937 OE2 GLU A 55 -34.675 8.686 -3.620 1.00 0.00 O ATOM 0 H GLU A 55 -36.210 7.620 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 55 -38.755 8.672 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -37.448 6.715 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -38.757 7.820 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -37.096 9.186 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -36.911 9.601 -1.929 1.00 0.00 H new TER 944 GLU A 55