USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 8 MET CE :methyl 150:sc= -0.098 (180deg=0) USER MOD Set 1.2: A 12 LYS NZ :NH3+ -124:sc= -0.0102 (180deg=0) USER MOD Single : A 1 MET CE :methyl -177:sc= -2.49! (180deg=-2.62!) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.148) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : A 10 MET CE :methyl -154:sc= -0.0417 (180deg=-0.394) USER MOD Single : A 15 ASN : amide:sc= 0.591 K(o=0.59,f=-0.18) USER MOD Single : A 16 TYR OH : rot -15:sc= -0.868 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0934 F(o=-0.68,f=-0.093) USER MOD Single : A 20 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -0.874 (180deg=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -0.065 (180deg=-0.559) USER MOD Single : B 1 MET CE :methyl -152:sc= 0 (180deg=-0.997) USER MOD Single : B 1 MET N :NH3+ -169:sc= 0 (180deg=-0.138) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -155:sc= -0.33 (180deg=-1.4!) USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0.014 X(o=0.014,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 163:sc= -3.5! (180deg=-4.12!) USER MOD Single : B 15 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.011) USER MOD Single : B 16 TYR OH : rot 180:sc= -2.2 USER MOD Single : B 17 HIS : no HD1:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.04! C(o=-2!,f=-2.6!) USER MOD Single : B 26 LYS NZ :NH3+ 165:sc= -1.93 (180deg=-2.06) USER MOD Single : B 27 LYS NZ :NH3+ -151:sc= -0.212 (180deg=-0.772) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.000 -11.728 16.758 1.00 0.00 N ATOM 2 CA MET A 1 9.632 -11.593 15.456 1.00 0.00 C ATOM 3 C MET A 1 8.982 -12.571 14.475 1.00 0.00 C ATOM 4 O MET A 1 8.760 -12.185 13.317 1.00 0.00 O ATOM 5 CB MET A 1 11.128 -11.890 15.557 1.00 0.00 C ATOM 6 CG MET A 1 11.927 -11.027 14.578 1.00 0.00 C ATOM 7 SD MET A 1 13.351 -11.960 13.943 1.00 0.00 S ATOM 8 CE MET A 1 14.618 -10.657 13.968 1.00 0.00 C ATOM 0 H1 MET A 1 9.290 -10.937 17.368 1.00 0.00 H new ATOM 0 H2 MET A 1 7.966 -11.717 16.645 1.00 0.00 H new ATOM 0 H3 MET A 1 9.291 -12.626 17.194 1.00 0.00 H new ATOM 0 HA MET A 1 9.501 -10.570 15.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.471 -11.704 16.575 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.308 -12.945 15.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.289 -10.715 13.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.269 -10.120 15.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.549 -11.047 13.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.282 -9.811 13.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.784 -10.331 14.995 1.00 0.00 H new ATOM 18 N ASP A 2 8.695 -13.797 14.947 1.00 0.00 N ATOM 19 CA ASP A 2 8.077 -14.817 14.118 1.00 0.00 C ATOM 20 C ASP A 2 6.822 -14.241 13.458 1.00 0.00 C ATOM 21 O ASP A 2 6.532 -14.617 12.313 1.00 0.00 O ATOM 22 CB ASP A 2 7.657 -16.028 14.954 1.00 0.00 C ATOM 23 CG ASP A 2 8.626 -16.404 16.077 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.765 -15.919 16.127 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.161 -17.244 16.939 1.00 0.00 O ATOM 0 H ASP A 2 8.887 -14.095 15.904 1.00 0.00 H new ATOM 0 HA ASP A 2 8.806 -15.130 13.371 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.678 -15.828 15.390 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.541 -16.886 14.292 1.00 0.00 H new ATOM 30 N ALA A 3 6.115 -13.355 14.182 1.00 0.00 N ATOM 31 CA ALA A 3 4.904 -12.735 13.671 1.00 0.00 C ATOM 32 C ALA A 3 5.266 -11.434 12.951 1.00 0.00 C ATOM 33 O ALA A 3 4.423 -10.919 12.202 1.00 0.00 O ATOM 34 CB ALA A 3 3.995 -12.342 14.836 1.00 0.00 C ATOM 0 H ALA A 3 6.372 -13.059 15.124 1.00 0.00 H new ATOM 0 HA ALA A 3 4.411 -13.441 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.088 -11.877 14.449 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.731 -13.232 15.408 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.517 -11.636 15.483 1.00 0.00 H new ATOM 40 N ILE A 4 6.493 -10.937 13.190 1.00 0.00 N ATOM 41 CA ILE A 4 6.960 -9.709 12.568 1.00 0.00 C ATOM 42 C ILE A 4 7.332 -9.987 11.111 1.00 0.00 C ATOM 43 O ILE A 4 6.925 -9.207 10.239 1.00 0.00 O ATOM 44 CB ILE A 4 8.097 -9.094 13.387 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.615 -8.695 14.784 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.734 -7.917 12.643 1.00 0.00 C ATOM 47 CD1 ILE A 4 8.041 -7.265 15.123 1.00 0.00 C ATOM 0 H ILE A 4 7.172 -11.376 13.812 1.00 0.00 H new ATOM 0 HA ILE A 4 6.166 -8.963 12.556 1.00 0.00 H new ATOM 0 HB ILE A 4 8.871 -9.850 13.518 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.529 -8.777 14.835 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.022 -9.385 15.524 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.539 -7.498 13.247 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.137 -8.263 11.691 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.980 -7.151 12.461 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.686 -7.006 16.121 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.128 -7.193 15.095 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.613 -6.576 14.395 1.00 0.00 H new ATOM 59 N LYS A 5 8.086 -11.077 10.881 1.00 0.00 N ATOM 60 CA LYS A 5 8.507 -11.452 9.541 1.00 0.00 C ATOM 61 C LYS A 5 7.279 -11.548 8.634 1.00 0.00 C ATOM 62 O LYS A 5 7.396 -11.214 7.446 1.00 0.00 O ATOM 63 CB LYS A 5 9.344 -12.733 9.582 1.00 0.00 C ATOM 64 CG LYS A 5 8.992 -13.579 10.806 1.00 0.00 C ATOM 65 CD LYS A 5 9.162 -15.070 10.510 1.00 0.00 C ATOM 66 CE LYS A 5 10.579 -15.538 10.848 1.00 0.00 C ATOM 67 NZ LYS A 5 11.099 -16.415 9.784 1.00 0.00 N ATOM 0 H LYS A 5 8.411 -11.707 11.614 1.00 0.00 H new ATOM 0 HA LYS A 5 9.157 -10.687 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.174 -13.312 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.404 -12.479 9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.630 -13.296 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.964 -13.379 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.438 -15.644 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.953 -15.262 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.234 -14.675 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.575 -16.072 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.061 -16.724 10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.482 -17.247 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.121 -15.894 8.884 1.00 0.00 H new ATOM 81 N LYS A 6 6.145 -11.997 9.201 1.00 0.00 N ATOM 82 CA LYS A 6 4.909 -12.135 8.447 1.00 0.00 C ATOM 83 C LYS A 6 4.161 -10.800 8.455 1.00 0.00 C ATOM 84 O LYS A 6 3.444 -10.520 7.483 1.00 0.00 O ATOM 85 CB LYS A 6 4.084 -13.306 8.982 1.00 0.00 C ATOM 86 CG LYS A 6 4.990 -14.429 9.490 1.00 0.00 C ATOM 87 CD LYS A 6 4.379 -15.801 9.199 1.00 0.00 C ATOM 88 CE LYS A 6 4.266 -16.042 7.692 1.00 0.00 C ATOM 89 NZ LYS A 6 4.048 -17.470 7.413 1.00 0.00 N ATOM 0 H LYS A 6 6.070 -12.268 10.181 1.00 0.00 H new ATOM 0 HA LYS A 6 5.122 -12.375 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.438 -12.961 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.434 -13.687 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.968 -14.355 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.147 -14.317 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.993 -16.580 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.392 -15.868 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.442 -15.456 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.175 -15.703 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.974 -17.616 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.847 -18.022 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.169 -17.783 7.872 1.00 0.00 H new ATOM 103 N LYS A 7 4.338 -10.016 9.533 1.00 0.00 N ATOM 104 CA LYS A 7 3.684 -8.726 9.663 1.00 0.00 C ATOM 105 C LYS A 7 4.008 -7.869 8.437 1.00 0.00 C ATOM 106 O LYS A 7 3.073 -7.311 7.844 1.00 0.00 O ATOM 107 CB LYS A 7 4.060 -8.065 10.991 1.00 0.00 C ATOM 108 CG LYS A 7 3.212 -6.816 11.241 1.00 0.00 C ATOM 109 CD LYS A 7 1.728 -7.104 11.009 1.00 0.00 C ATOM 110 CE LYS A 7 0.853 -6.243 11.923 1.00 0.00 C ATOM 111 NZ LYS A 7 0.465 -6.998 13.125 1.00 0.00 N ATOM 0 H LYS A 7 4.933 -10.265 10.323 1.00 0.00 H new ATOM 0 HA LYS A 7 2.601 -8.849 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.919 -8.774 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.116 -7.796 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.363 -6.468 12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.538 -6.013 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.474 -6.908 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.525 -8.159 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.394 -5.342 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.039 -5.921 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.128 -6.399 13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.070 -7.845 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.319 -7.284 13.646 1.00 0.00 H new ATOM 125 N MET A 8 5.304 -7.783 8.087 1.00 0.00 N ATOM 126 CA MET A 8 5.742 -7.001 6.944 1.00 0.00 C ATOM 127 C MET A 8 5.302 -7.699 5.656 1.00 0.00 C ATOM 128 O MET A 8 5.084 -7.004 4.653 1.00 0.00 O ATOM 129 CB MET A 8 7.265 -6.855 6.951 1.00 0.00 C ATOM 130 CG MET A 8 7.946 -8.224 7.011 1.00 0.00 C ATOM 131 SD MET A 8 9.752 -8.018 7.037 1.00 0.00 S ATOM 132 CE MET A 8 10.250 -9.493 6.099 1.00 0.00 C ATOM 0 H MET A 8 6.059 -8.251 8.588 1.00 0.00 H new ATOM 0 HA MET A 8 5.294 -6.009 7.000 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.587 -6.323 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.573 -6.254 7.807 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.620 -8.763 7.901 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.652 -8.824 6.150 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.180 -9.290 5.568 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.399 -10.327 6.785 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.471 -9.748 5.381 1.00 0.00 H new ATOM 142 N GLN A 9 5.183 -9.039 5.706 1.00 0.00 N ATOM 143 CA GLN A 9 4.773 -9.820 4.552 1.00 0.00 C ATOM 144 C GLN A 9 3.281 -9.597 4.295 1.00 0.00 C ATOM 145 O GLN A 9 2.847 -9.783 3.149 1.00 0.00 O ATOM 146 CB GLN A 9 5.081 -11.307 4.742 1.00 0.00 C ATOM 147 CG GLN A 9 6.539 -11.612 4.397 1.00 0.00 C ATOM 148 CD GLN A 9 6.691 -13.044 3.878 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.226 -13.397 2.807 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.366 -13.847 4.697 1.00 0.00 N ATOM 0 H GLN A 9 5.368 -9.593 6.542 1.00 0.00 H new ATOM 0 HA GLN A 9 5.341 -9.487 3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.880 -11.595 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.422 -11.902 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.893 -10.909 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.162 -11.473 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.729 -13.487 5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.521 -14.822 4.442 1.00 0.00 H new ATOM 159 N MET A 10 2.539 -9.209 5.347 1.00 0.00 N ATOM 160 CA MET A 10 1.112 -8.965 5.235 1.00 0.00 C ATOM 161 C MET A 10 0.882 -7.611 4.559 1.00 0.00 C ATOM 162 O MET A 10 0.000 -7.528 3.692 1.00 0.00 O ATOM 163 CB MET A 10 0.462 -8.960 6.620 1.00 0.00 C ATOM 164 CG MET A 10 0.800 -10.239 7.389 1.00 0.00 C ATOM 165 SD MET A 10 -0.728 -11.068 7.918 1.00 0.00 S ATOM 166 CE MET A 10 -1.429 -9.784 8.994 1.00 0.00 C ATOM 0 H MET A 10 2.917 -9.060 6.283 1.00 0.00 H new ATOM 0 HA MET A 10 0.662 -9.759 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.804 -8.092 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.619 -8.868 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.387 -10.908 6.759 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.413 -10.000 8.258 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.077 -10.247 9.738 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.622 -9.250 9.497 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.009 -9.083 8.394 1.00 0.00 H new ATOM 176 N LEU A 11 1.667 -6.597 4.960 1.00 0.00 N ATOM 177 CA LEU A 11 1.550 -5.263 4.396 1.00 0.00 C ATOM 178 C LEU A 11 2.230 -5.231 3.026 1.00 0.00 C ATOM 179 O LEU A 11 1.836 -4.403 2.191 1.00 0.00 O ATOM 180 CB LEU A 11 2.090 -4.217 5.375 1.00 0.00 C ATOM 181 CG LEU A 11 1.446 -4.202 6.763 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.490 -3.929 7.848 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.287 -3.205 6.818 1.00 0.00 C ATOM 0 H LEU A 11 2.388 -6.687 5.675 1.00 0.00 H new ATOM 0 HA LEU A 11 0.502 -5.008 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.161 -4.379 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.965 -3.231 4.928 1.00 0.00 H new ATOM 0 HG LEU A 11 1.030 -5.190 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.007 -3.924 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.252 -4.708 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.956 -2.960 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.153 -3.214 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.657 -2.205 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.469 -3.485 6.085 1.00 0.00 H new ATOM 195 N LYS A 12 3.220 -6.117 2.825 1.00 0.00 N ATOM 196 CA LYS A 12 3.946 -6.190 1.568 1.00 0.00 C ATOM 197 C LYS A 12 3.012 -6.717 0.475 1.00 0.00 C ATOM 198 O LYS A 12 3.113 -6.241 -0.665 1.00 0.00 O ATOM 199 CB LYS A 12 5.225 -7.013 1.733 1.00 0.00 C ATOM 200 CG LYS A 12 6.410 -6.118 2.097 1.00 0.00 C ATOM 201 CD LYS A 12 7.335 -6.811 3.099 1.00 0.00 C ATOM 202 CE LYS A 12 8.803 -6.622 2.713 1.00 0.00 C ATOM 203 NZ LYS A 12 9.616 -7.744 3.209 1.00 0.00 N ATOM 0 H LYS A 12 3.529 -6.790 3.526 1.00 0.00 H new ATOM 0 HA LYS A 12 4.272 -5.197 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.080 -7.764 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.439 -7.548 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.969 -5.865 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.046 -5.182 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.163 -6.408 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.100 -7.875 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.894 -6.551 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.176 -5.685 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.387 -7.378 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.019 -8.383 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.018 -8.265 2.403 1.00 0.00 H new ATOM 217 N LEU A 13 2.139 -7.672 0.838 1.00 0.00 N ATOM 218 CA LEU A 13 1.199 -8.254 -0.104 1.00 0.00 C ATOM 219 C LEU A 13 0.114 -7.228 -0.436 1.00 0.00 C ATOM 220 O LEU A 13 -0.251 -7.117 -1.615 1.00 0.00 O ATOM 221 CB LEU A 13 0.651 -9.577 0.435 1.00 0.00 C ATOM 222 CG LEU A 13 0.104 -10.552 -0.610 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.940 -11.487 0.006 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.446 -9.802 -1.825 1.00 0.00 C ATOM 0 H LEU A 13 2.074 -8.051 1.783 1.00 0.00 H new ATOM 0 HA LEU A 13 1.701 -8.501 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.445 -10.077 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.144 -9.355 1.147 1.00 0.00 H new ATOM 0 HG LEU A 13 0.928 -11.174 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.313 -12.170 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.484 -12.060 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.768 -10.898 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.828 -10.518 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.252 -9.140 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.350 -9.213 -2.280 1.00 0.00 H new ATOM 236 N ASP A 14 -0.374 -6.512 0.594 1.00 0.00 N ATOM 237 CA ASP A 14 -1.406 -5.507 0.412 1.00 0.00 C ATOM 238 C ASP A 14 -0.847 -4.352 -0.423 1.00 0.00 C ATOM 239 O ASP A 14 -1.607 -3.771 -1.209 1.00 0.00 O ATOM 240 CB ASP A 14 -1.865 -4.939 1.756 1.00 0.00 C ATOM 241 CG ASP A 14 -3.377 -4.755 1.899 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.046 -5.846 2.065 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.890 -3.627 1.854 1.00 0.00 O ATOM 0 H ASP A 14 -0.061 -6.621 1.559 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.252 -5.980 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.518 -5.600 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.381 -3.975 1.910 1.00 0.00 H new ATOM 248 N ASN A 15 0.451 -4.049 -0.237 1.00 0.00 N ATOM 249 CA ASN A 15 1.102 -2.975 -0.968 1.00 0.00 C ATOM 250 C ASN A 15 1.101 -3.306 -2.462 1.00 0.00 C ATOM 251 O ASN A 15 0.693 -2.445 -3.256 1.00 0.00 O ATOM 252 CB ASN A 15 2.556 -2.809 -0.522 1.00 0.00 C ATOM 253 CG ASN A 15 3.064 -1.398 -0.826 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.498 -1.089 -1.924 1.00 0.00 O ATOM 255 ND2 ASN A 15 2.989 -0.562 0.205 1.00 0.00 N ATOM 0 H ASN A 15 1.060 -4.541 0.417 1.00 0.00 H new ATOM 0 HA ASN A 15 0.556 -2.053 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.637 -3.006 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.182 -3.542 -1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.305 0.402 0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.615 -0.885 1.097 1.00 0.00 H new ATOM 262 N TYR A 16 1.550 -4.525 -2.809 1.00 0.00 N ATOM 263 CA TYR A 16 1.578 -4.899 -4.212 1.00 0.00 C ATOM 264 C TYR A 16 0.148 -4.938 -4.755 1.00 0.00 C ATOM 265 O TYR A 16 -0.043 -4.562 -5.921 1.00 0.00 O ATOM 266 CB TYR A 16 2.293 -6.252 -4.385 1.00 0.00 C ATOM 267 CG TYR A 16 3.493 -6.454 -3.469 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.302 -5.351 -3.111 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.802 -7.739 -2.968 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.412 -5.532 -2.260 1.00 0.00 C ATOM 271 CE2 TYR A 16 4.913 -7.920 -2.118 1.00 0.00 C ATOM 272 CZ TYR A 16 5.720 -6.817 -1.763 1.00 0.00 C ATOM 273 OH TYR A 16 6.798 -6.988 -0.940 1.00 0.00 O ATOM 0 H TYR A 16 1.884 -5.235 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 16 2.138 -4.159 -4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.576 -7.053 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.622 -6.345 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.069 -4.367 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.186 -8.584 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.027 -4.687 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.147 -8.904 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 16 7.375 -6.197 -0.988 1.00 0.00 H new ATOM 283 N HIS A 17 -0.808 -5.388 -3.923 1.00 0.00 N ATOM 284 CA HIS A 17 -2.200 -5.480 -4.328 1.00 0.00 C ATOM 285 C HIS A 17 -2.772 -4.071 -4.495 1.00 0.00 C ATOM 286 O HIS A 17 -3.639 -3.885 -5.361 1.00 0.00 O ATOM 287 CB HIS A 17 -3.003 -6.334 -3.343 1.00 0.00 C ATOM 288 CG HIS A 17 -4.302 -5.704 -2.902 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.583 -4.881 -1.851 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.497 -5.900 -3.574 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.877 -4.590 -1.880 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.446 -5.221 -2.947 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.629 -5.692 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.271 -5.985 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.217 -7.298 -3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.389 -6.530 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.632 -6.504 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.395 -3.957 -1.174 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.429 -5.178 -3.215 1.00 0.00 H new ATOM 300 N LEU A 18 -2.285 -3.123 -3.675 1.00 0.00 N ATOM 301 CA LEU A 18 -2.746 -1.745 -3.731 1.00 0.00 C ATOM 302 C LEU A 18 -2.100 -1.045 -4.929 1.00 0.00 C ATOM 303 O LEU A 18 -2.825 -0.386 -5.687 1.00 0.00 O ATOM 304 CB LEU A 18 -2.492 -1.040 -2.397 1.00 0.00 C ATOM 305 CG LEU A 18 -3.376 -1.478 -1.228 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.698 -1.187 0.113 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.763 -0.838 -1.320 1.00 0.00 C ATOM 0 H LEU A 18 -1.571 -3.297 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.825 -1.710 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.450 -1.198 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.624 0.032 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.514 -2.557 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.348 -1.508 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.753 -1.728 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.509 -0.117 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.372 -1.166 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.665 0.247 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.242 -1.139 -2.252 1.00 0.00 H new ATOM 319 N GLU A 19 -0.771 -1.199 -5.072 1.00 0.00 N ATOM 320 CA GLU A 19 -0.039 -0.586 -6.167 1.00 0.00 C ATOM 321 C GLU A 19 -0.643 -1.042 -7.496 1.00 0.00 C ATOM 322 O GLU A 19 -0.593 -0.267 -8.463 1.00 0.00 O ATOM 323 CB GLU A 19 1.453 -0.918 -6.100 1.00 0.00 C ATOM 324 CG GLU A 19 2.291 0.353 -5.939 1.00 0.00 C ATOM 325 CD GLU A 19 1.904 1.107 -4.665 1.00 0.00 C ATOM 326 OE1 GLU A 19 1.079 0.615 -3.880 1.00 0.00 O ATOM 327 OE2 GLU A 19 2.495 2.242 -4.503 1.00 0.00 O ATOM 0 H GLU A 19 -0.192 -1.746 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.127 0.497 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.642 -1.591 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.753 -1.444 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.349 0.093 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.149 0.999 -6.805 1.00 0.00 H new ATOM 334 N ASN A 20 -1.191 -2.270 -7.519 1.00 0.00 N ATOM 335 CA ASN A 20 -1.798 -2.820 -8.720 1.00 0.00 C ATOM 336 C ASN A 20 -3.118 -2.097 -8.997 1.00 0.00 C ATOM 337 O ASN A 20 -3.540 -2.067 -10.162 1.00 0.00 O ATOM 338 CB ASN A 20 -2.101 -4.310 -8.550 1.00 0.00 C ATOM 339 CG ASN A 20 -0.891 -5.163 -8.938 1.00 0.00 C ATOM 340 OD1 ASN A 20 -0.050 -4.771 -9.731 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.851 -6.349 -8.338 1.00 0.00 N ATOM 0 H ASN A 20 -1.220 -2.893 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.097 -2.686 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.377 -4.513 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.957 -4.584 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.084 -6.993 -8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.588 -6.615 -7.684 1.00 0.00 H new ATOM 348 N GLU A 21 -3.732 -1.540 -7.938 1.00 0.00 N ATOM 349 CA GLU A 21 -4.991 -0.825 -8.067 1.00 0.00 C ATOM 350 C GLU A 21 -4.711 0.625 -8.465 1.00 0.00 C ATOM 351 O GLU A 21 -5.463 1.166 -9.288 1.00 0.00 O ATOM 352 CB GLU A 21 -5.810 -0.892 -6.776 1.00 0.00 C ATOM 353 CG GLU A 21 -7.309 -0.826 -7.073 1.00 0.00 C ATOM 354 CD GLU A 21 -7.859 -2.209 -7.429 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.364 -3.223 -6.916 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.836 -2.207 -8.271 1.00 0.00 O ATOM 0 H GLU A 21 -3.367 -1.578 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.586 -1.303 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.582 -1.815 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.529 -0.068 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.838 -0.433 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.490 -0.136 -7.897 1.00 0.00 H new ATOM 363 N VAL A 22 -3.652 1.216 -7.881 1.00 0.00 N ATOM 364 CA VAL A 22 -3.280 2.590 -8.172 1.00 0.00 C ATOM 365 C VAL A 22 -2.567 2.644 -9.525 1.00 0.00 C ATOM 366 O VAL A 22 -2.910 3.513 -10.339 1.00 0.00 O ATOM 367 CB VAL A 22 -2.437 3.157 -7.029 1.00 0.00 C ATOM 368 CG1 VAL A 22 -2.188 4.654 -7.222 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.094 2.881 -5.675 1.00 0.00 C ATOM 0 H VAL A 22 -3.045 0.752 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.167 3.219 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.471 2.652 -7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.586 5.032 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.658 4.817 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.142 5.181 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.475 3.294 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.079 3.347 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.197 1.805 -5.533 1.00 0.00 H new ATOM 379 N ALA A 23 -1.604 1.728 -9.734 1.00 0.00 N ATOM 380 CA ALA A 23 -0.851 1.674 -10.976 1.00 0.00 C ATOM 381 C ALA A 23 -1.821 1.516 -12.149 1.00 0.00 C ATOM 382 O ALA A 23 -1.417 1.786 -13.289 1.00 0.00 O ATOM 383 CB ALA A 23 0.038 0.428 -10.984 1.00 0.00 C ATOM 0 H ALA A 23 -1.337 1.019 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.259 2.586 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.602 0.389 -11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.730 0.469 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.584 -0.463 -10.899 1.00 0.00 H new ATOM 389 N ARG A 24 -3.061 1.088 -11.851 1.00 0.00 N ATOM 390 CA ARG A 24 -4.076 0.896 -12.873 1.00 0.00 C ATOM 391 C ARG A 24 -5.034 2.090 -12.863 1.00 0.00 C ATOM 392 O ARG A 24 -5.815 2.227 -13.816 1.00 0.00 O ATOM 393 CB ARG A 24 -4.872 -0.390 -12.644 1.00 0.00 C ATOM 394 CG ARG A 24 -4.122 -1.604 -13.197 1.00 0.00 C ATOM 395 CD ARG A 24 -4.835 -2.905 -12.821 1.00 0.00 C ATOM 396 NE ARG A 24 -4.884 -3.810 -13.990 1.00 0.00 N ATOM 397 CZ ARG A 24 -5.784 -3.708 -14.991 1.00 0.00 C ATOM 398 NH1 ARG A 24 -6.700 -2.731 -14.942 1.00 0.00 N ATOM 399 NH2 ARG A 24 -5.762 -4.569 -16.017 1.00 0.00 N ATOM 0 H ARG A 24 -3.374 0.871 -10.905 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.574 0.816 -13.837 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.054 -0.525 -11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.847 -0.310 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.046 -1.527 -14.282 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.104 -1.616 -12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.313 -3.390 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.846 -2.689 -12.475 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.194 -4.559 -14.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.709 -2.080 -14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.388 -2.639 -15.690 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.061 -5.310 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.446 -4.484 -16.769 1.00 0.00 H new ATOM 413 N LEU A 25 -4.957 2.916 -11.804 1.00 0.00 N ATOM 414 CA LEU A 25 -5.812 4.084 -11.675 1.00 0.00 C ATOM 415 C LEU A 25 -5.044 5.325 -12.133 1.00 0.00 C ATOM 416 O LEU A 25 -5.654 6.193 -12.773 1.00 0.00 O ATOM 417 CB LEU A 25 -6.360 4.191 -10.250 1.00 0.00 C ATOM 418 CG LEU A 25 -7.508 3.243 -9.900 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.708 3.160 -8.386 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.793 3.648 -10.626 1.00 0.00 C ATOM 0 H LEU A 25 -4.306 2.786 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.685 3.992 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.542 4.011 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.698 5.214 -10.088 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.243 2.244 -10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.530 2.479 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.795 2.791 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.941 4.150 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.594 2.958 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.073 4.660 -10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.628 3.615 -11.703 1.00 0.00 H new ATOM 432 N LYS A 26 -3.741 5.383 -11.803 1.00 0.00 N ATOM 433 CA LYS A 26 -2.901 6.507 -12.178 1.00 0.00 C ATOM 434 C LYS A 26 -2.899 6.651 -13.700 1.00 0.00 C ATOM 435 O LYS A 26 -2.680 7.771 -14.187 1.00 0.00 O ATOM 436 CB LYS A 26 -1.504 6.358 -11.572 1.00 0.00 C ATOM 437 CG LYS A 26 -1.582 6.152 -10.057 1.00 0.00 C ATOM 438 CD LYS A 26 -1.959 7.453 -9.346 1.00 0.00 C ATOM 439 CE LYS A 26 -1.324 8.660 -10.036 1.00 0.00 C ATOM 440 NZ LYS A 26 0.136 8.494 -10.126 1.00 0.00 N ATOM 0 H LYS A 26 -3.257 4.656 -11.276 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.302 7.435 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.993 5.512 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.912 7.246 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.319 5.382 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.622 5.795 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.043 7.565 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.633 7.411 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.745 8.778 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.559 9.568 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.606 9.323 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.421 7.638 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.414 8.404 -11.124 1.00 0.00 H new ATOM 454 N LYS A 27 -3.138 5.534 -14.411 1.00 0.00 N ATOM 455 CA LYS A 27 -3.162 5.536 -15.864 1.00 0.00 C ATOM 456 C LYS A 27 -4.500 6.101 -16.347 1.00 0.00 C ATOM 457 O LYS A 27 -4.617 6.401 -17.544 1.00 0.00 O ATOM 458 CB LYS A 27 -2.853 4.140 -16.407 1.00 0.00 C ATOM 459 CG LYS A 27 -1.880 4.214 -17.585 1.00 0.00 C ATOM 460 CD LYS A 27 -0.885 3.051 -17.548 1.00 0.00 C ATOM 461 CE LYS A 27 -1.063 2.139 -18.763 1.00 0.00 C ATOM 462 NZ LYS A 27 -0.819 2.884 -20.009 1.00 0.00 N ATOM 0 H LYS A 27 -3.316 4.622 -13.991 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.380 6.186 -16.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.426 3.524 -15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.777 3.656 -16.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.436 4.192 -18.522 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.340 5.160 -17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.133 3.439 -17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.026 2.476 -16.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.375 1.296 -18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.072 1.727 -18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.461 2.234 -20.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.707 3.315 -20.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.116 3.630 -19.835 1.00 0.00 H new ATOM 476 N LEU A 28 -5.466 6.235 -15.420 1.00 0.00 N ATOM 477 CA LEU A 28 -6.781 6.759 -15.749 1.00 0.00 C ATOM 478 C LEU A 28 -6.890 8.201 -15.250 1.00 0.00 C ATOM 479 O LEU A 28 -7.521 9.018 -15.937 1.00 0.00 O ATOM 480 CB LEU A 28 -7.876 5.838 -15.209 1.00 0.00 C ATOM 481 CG LEU A 28 -8.966 5.434 -16.205 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.470 4.337 -17.147 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.250 5.029 -15.478 1.00 0.00 C ATOM 0 H LEU A 28 -5.349 5.984 -14.438 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.921 6.783 -16.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.405 4.931 -14.829 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.351 6.330 -14.361 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.204 6.302 -16.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.264 4.069 -17.844 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.606 4.699 -17.704 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.186 3.460 -16.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.008 4.747 -16.208 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.045 4.183 -14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.613 5.869 -14.885 1.00 0.00 H new ATOM 495 N VAL A 29 -6.283 8.482 -14.083 1.00 0.00 N ATOM 496 CA VAL A 29 -6.312 9.813 -13.500 1.00 0.00 C ATOM 497 C VAL A 29 -4.953 10.484 -13.705 1.00 0.00 C ATOM 498 O VAL A 29 -4.899 11.509 -14.401 1.00 0.00 O ATOM 499 CB VAL A 29 -6.723 9.731 -12.029 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.008 11.123 -11.461 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.930 8.807 -11.846 1.00 0.00 C ATOM 0 H VAL A 29 -5.768 7.795 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.058 10.432 -13.998 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.888 9.306 -11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.298 11.036 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.112 11.738 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.817 11.587 -12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.201 8.767 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.772 9.190 -12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.677 7.805 -12.194 1.00 0.00 H new ATOM 511 N GLY A 30 -3.899 9.904 -13.105 1.00 0.00 N ATOM 512 CA GLY A 30 -2.554 10.442 -13.221 1.00 0.00 C ATOM 513 C GLY A 30 -2.171 10.532 -14.699 1.00 0.00 C ATOM 514 O GLY A 30 -1.109 11.097 -15.000 1.00 0.00 O ATOM 0 H GLY A 30 -3.965 9.060 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.504 11.428 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.848 9.805 -12.689 1.00 0.00 H new ATOM 518 N GLU A 31 -3.028 9.981 -15.578 1.00 0.00 N ATOM 519 CA GLU A 31 -2.781 10.000 -17.009 1.00 0.00 C ATOM 520 C GLU A 31 -2.947 11.428 -17.533 1.00 0.00 C ATOM 521 O GLU A 31 -3.937 12.077 -17.171 1.00 0.00 O ATOM 522 CB GLU A 31 -3.705 9.034 -17.752 1.00 0.00 C ATOM 523 CG GLU A 31 -4.256 9.673 -19.029 1.00 0.00 C ATOM 524 CD GLU A 31 -3.130 9.969 -20.022 1.00 0.00 C ATOM 525 OE1 GLU A 31 -1.972 9.510 -19.688 1.00 0.00 O ATOM 526 OE2 GLU A 31 -3.371 10.607 -21.058 1.00 0.00 O ATOM 0 H GLU A 31 -3.897 9.519 -15.309 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.759 9.666 -17.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.160 8.124 -18.003 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.530 8.742 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.985 9.006 -19.489 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.780 10.596 -18.781 1.00 0.00 H new ATOM 533 N ARG A 32 -1.988 11.881 -18.361 1.00 0.00 N ATOM 534 CA ARG A 32 -2.028 13.218 -18.927 1.00 0.00 C ATOM 535 C ARG A 32 -2.173 13.121 -20.448 1.00 0.00 C ATOM 536 O ARG A 32 -1.863 14.069 -21.165 1.00 0.00 O ATOM 537 CB ARG A 32 -0.762 14.011 -18.592 1.00 0.00 C ATOM 538 CG ARG A 32 0.410 13.073 -18.298 1.00 0.00 C ATOM 539 CD ARG A 32 1.371 13.697 -17.285 1.00 0.00 C ATOM 540 NE ARG A 32 1.434 15.162 -17.485 1.00 0.00 N ATOM 541 CZ ARG A 32 2.545 15.904 -17.289 1.00 0.00 C ATOM 542 NH1 ARG A 32 3.671 15.297 -16.891 1.00 0.00 N ATOM 543 NH2 ARG A 32 2.522 17.229 -17.492 1.00 0.00 N ATOM 0 H ARG A 32 -1.179 11.330 -18.646 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.881 13.741 -18.495 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.508 14.666 -19.425 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.947 14.650 -17.728 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.034 12.125 -17.912 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.944 12.851 -19.222 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.039 13.474 -16.271 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.364 13.263 -17.398 1.00 0.00 H new ATOM 0 HE ARG A 32 0.586 15.641 -17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.681 14.288 -16.740 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.519 15.844 -16.739 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.661 17.683 -17.797 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.365 17.783 -17.342 1.00 0.00 H new ATOM 558 N MET B 1 16.388 -6.767 12.646 1.00 0.00 N ATOM 559 CA MET B 1 15.136 -6.506 13.336 1.00 0.00 C ATOM 560 C MET B 1 14.963 -4.998 13.518 1.00 0.00 C ATOM 561 O MET B 1 13.838 -4.507 13.341 1.00 0.00 O ATOM 562 CB MET B 1 15.130 -7.190 14.705 1.00 0.00 C ATOM 563 CG MET B 1 13.720 -7.647 15.083 1.00 0.00 C ATOM 564 SD MET B 1 13.487 -7.521 16.881 1.00 0.00 S ATOM 565 CE MET B 1 11.747 -8.027 17.010 1.00 0.00 C ATOM 0 H1 MET B 1 16.423 -7.765 12.356 1.00 0.00 H new ATOM 0 H2 MET B 1 16.454 -6.159 11.805 1.00 0.00 H new ATOM 0 H3 MET B 1 17.184 -6.564 13.283 1.00 0.00 H new ATOM 0 HA MET B 1 14.314 -6.903 12.741 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.802 -8.048 14.690 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.508 -6.502 15.461 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.980 -7.034 14.568 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.563 -8.676 14.759 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.296 -7.560 17.886 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.210 -7.714 16.115 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.690 -9.111 17.107 1.00 0.00 H new ATOM 575 N ASP B 2 16.062 -4.302 13.863 1.00 0.00 N ATOM 576 CA ASP B 2 16.031 -2.864 14.065 1.00 0.00 C ATOM 577 C ASP B 2 15.382 -2.196 12.851 1.00 0.00 C ATOM 578 O ASP B 2 14.678 -1.192 13.036 1.00 0.00 O ATOM 579 CB ASP B 2 17.444 -2.299 14.217 1.00 0.00 C ATOM 580 CG ASP B 2 18.445 -3.234 14.898 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.886 -4.194 14.158 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.787 -3.055 16.077 1.00 0.00 O ATOM 0 H ASP B 2 16.979 -4.725 14.005 1.00 0.00 H new ATOM 0 HA ASP B 2 15.463 -2.663 14.973 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.824 -2.042 13.228 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.389 -1.372 14.788 1.00 0.00 H new ATOM 587 N ALA B 3 15.628 -2.755 11.653 1.00 0.00 N ATOM 588 CA ALA B 3 15.073 -2.216 10.423 1.00 0.00 C ATOM 589 C ALA B 3 13.724 -2.883 10.144 1.00 0.00 C ATOM 590 O ALA B 3 12.961 -2.350 9.325 1.00 0.00 O ATOM 591 CB ALA B 3 15.981 -2.578 9.246 1.00 0.00 C ATOM 0 H ALA B 3 16.211 -3.582 11.522 1.00 0.00 H new ATOM 0 HA ALA B 3 14.976 -1.136 10.532 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.562 -2.172 8.325 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.973 -2.158 9.409 1.00 0.00 H new ATOM 0 HB3 ALA B 3 16.055 -3.662 9.164 1.00 0.00 H new ATOM 597 N ILE B 4 13.460 -4.016 10.819 1.00 0.00 N ATOM 598 CA ILE B 4 12.216 -4.745 10.645 1.00 0.00 C ATOM 599 C ILE B 4 11.093 -4.010 11.379 1.00 0.00 C ATOM 600 O ILE B 4 10.015 -3.840 10.791 1.00 0.00 O ATOM 601 CB ILE B 4 12.383 -6.203 11.078 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.444 -6.907 10.230 1.00 0.00 C ATOM 603 CG2 ILE B 4 11.043 -6.941 11.049 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.947 -8.275 9.757 1.00 0.00 C ATOM 0 H ILE B 4 14.102 -4.438 11.490 1.00 0.00 H new ATOM 0 HA ILE B 4 11.940 -4.780 9.591 1.00 0.00 H new ATOM 0 HB ILE B 4 12.734 -6.216 12.110 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.695 -6.289 9.368 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.358 -7.029 10.812 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.190 -7.975 11.361 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.344 -6.453 11.728 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.639 -6.922 10.037 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.720 -8.755 9.156 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.720 -8.899 10.622 1.00 0.00 H new ATOM 0 HD13 ILE B 4 12.047 -8.147 9.156 1.00 0.00 H new ATOM 616 N LYS B 5 11.360 -3.597 12.631 1.00 0.00 N ATOM 617 CA LYS B 5 10.379 -2.889 13.435 1.00 0.00 C ATOM 618 C LYS B 5 9.877 -1.668 12.662 1.00 0.00 C ATOM 619 O LYS B 5 8.700 -1.315 12.817 1.00 0.00 O ATOM 620 CB LYS B 5 10.958 -2.550 14.810 1.00 0.00 C ATOM 621 CG LYS B 5 12.481 -2.420 14.748 1.00 0.00 C ATOM 622 CD LYS B 5 12.983 -1.366 15.736 1.00 0.00 C ATOM 623 CE LYS B 5 13.361 -2.004 17.075 1.00 0.00 C ATOM 624 NZ LYS B 5 13.169 -1.047 18.176 1.00 0.00 N ATOM 0 H LYS B 5 12.254 -3.748 13.099 1.00 0.00 H new ATOM 0 HA LYS B 5 9.514 -3.524 13.626 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.524 -1.617 15.171 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.685 -3.326 15.525 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.941 -3.382 14.973 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.785 -2.150 13.737 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.848 -0.853 15.317 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.211 -0.613 15.893 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.751 -2.891 17.246 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.400 -2.332 17.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.430 -1.497 19.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.769 -0.212 18.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.172 -0.754 18.212 1.00 0.00 H new ATOM 638 N LYS B 6 10.765 -1.058 11.856 1.00 0.00 N ATOM 639 CA LYS B 6 10.415 0.110 11.068 1.00 0.00 C ATOM 640 C LYS B 6 9.866 -0.339 9.712 1.00 0.00 C ATOM 641 O LYS B 6 9.083 0.413 9.114 1.00 0.00 O ATOM 642 CB LYS B 6 11.607 1.063 10.963 1.00 0.00 C ATOM 643 CG LYS B 6 12.487 0.980 12.211 1.00 0.00 C ATOM 644 CD LYS B 6 13.120 2.338 12.528 1.00 0.00 C ATOM 645 CE LYS B 6 13.673 2.994 11.262 1.00 0.00 C ATOM 646 NZ LYS B 6 15.130 3.176 11.369 1.00 0.00 N ATOM 0 H LYS B 6 11.731 -1.366 11.742 1.00 0.00 H new ATOM 0 HA LYS B 6 9.625 0.677 11.560 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.197 0.817 10.080 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.250 2.085 10.833 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.890 0.646 13.060 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.270 0.237 12.060 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.377 2.991 12.986 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.922 2.209 13.255 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.441 2.377 10.394 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.191 3.959 11.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.489 3.623 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.345 3.784 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.587 2.251 11.496 1.00 0.00 H new ATOM 660 N LYS B 7 10.280 -1.538 9.263 1.00 0.00 N ATOM 661 CA LYS B 7 9.833 -2.079 7.991 1.00 0.00 C ATOM 662 C LYS B 7 8.308 -2.186 7.995 1.00 0.00 C ATOM 663 O LYS B 7 7.678 -1.689 7.051 1.00 0.00 O ATOM 664 CB LYS B 7 10.543 -3.402 7.693 1.00 0.00 C ATOM 665 CG LYS B 7 10.213 -3.896 6.283 1.00 0.00 C ATOM 666 CD LYS B 7 10.241 -2.742 5.278 1.00 0.00 C ATOM 667 CE LYS B 7 10.301 -3.269 3.842 1.00 0.00 C ATOM 668 NZ LYS B 7 11.407 -4.227 3.690 1.00 0.00 N ATOM 0 H LYS B 7 10.925 -2.143 9.772 1.00 0.00 H new ATOM 0 HA LYS B 7 10.103 -1.408 7.175 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.620 -3.271 7.793 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.243 -4.152 8.425 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.930 -4.661 5.984 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.228 -4.363 6.279 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.353 -2.122 5.405 1.00 0.00 H new ATOM 0 HD3 LYS B 7 11.105 -2.106 5.473 1.00 0.00 H new ATOM 0 HE2 LYS B 7 9.357 -3.750 3.585 1.00 0.00 H new ATOM 0 HE3 LYS B 7 10.434 -2.438 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 11.710 -4.253 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 12.206 -3.933 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 11.088 -5.174 3.980 1.00 0.00 H new ATOM 682 N MET B 8 7.752 -2.825 9.041 1.00 0.00 N ATOM 683 CA MET B 8 6.314 -2.995 9.164 1.00 0.00 C ATOM 684 C MET B 8 5.653 -1.623 9.308 1.00 0.00 C ATOM 685 O MET B 8 4.465 -1.502 8.975 1.00 0.00 O ATOM 686 CB MET B 8 5.982 -3.853 10.386 1.00 0.00 C ATOM 687 CG MET B 8 6.646 -3.294 11.645 1.00 0.00 C ATOM 688 SD MET B 8 6.074 -4.209 13.107 1.00 0.00 S ATOM 689 CE MET B 8 4.573 -3.266 13.504 1.00 0.00 C ATOM 0 H MET B 8 8.288 -3.229 9.809 1.00 0.00 H new ATOM 0 HA MET B 8 5.938 -3.495 8.271 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.902 -3.890 10.526 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.317 -4.877 10.218 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.730 -3.370 11.559 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.408 -2.236 11.752 1.00 0.00 H new ATOM 0 HE1 MET B 8 4.094 -3.697 14.383 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.838 -2.228 13.707 1.00 0.00 H new ATOM 0 HE3 MET B 8 3.884 -3.306 12.660 1.00 0.00 H new ATOM 699 N GLN B 9 6.422 -0.633 9.795 1.00 0.00 N ATOM 700 CA GLN B 9 5.915 0.716 9.981 1.00 0.00 C ATOM 701 C GLN B 9 5.945 1.457 8.643 1.00 0.00 C ATOM 702 O GLN B 9 5.151 2.392 8.468 1.00 0.00 O ATOM 703 CB GLN B 9 6.710 1.475 11.046 1.00 0.00 C ATOM 704 CG GLN B 9 6.403 0.937 12.445 1.00 0.00 C ATOM 705 CD GLN B 9 6.851 1.927 13.522 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.166 2.886 13.843 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.033 1.644 14.061 1.00 0.00 N ATOM 0 H GLN B 9 7.398 -0.754 10.064 1.00 0.00 H new ATOM 0 HA GLN B 9 4.886 0.656 10.336 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.777 1.383 10.843 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.467 2.536 10.999 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.333 0.750 12.540 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.908 -0.018 12.591 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.554 0.826 13.746 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.418 2.245 14.789 1.00 0.00 H new ATOM 716 N MET B 10 6.847 1.032 7.739 1.00 0.00 N ATOM 717 CA MET B 10 6.977 1.652 6.431 1.00 0.00 C ATOM 718 C MET B 10 5.827 1.188 5.536 1.00 0.00 C ATOM 719 O MET B 10 5.333 2.002 4.742 1.00 0.00 O ATOM 720 CB MET B 10 8.311 1.264 5.789 1.00 0.00 C ATOM 721 CG MET B 10 9.481 1.585 6.722 1.00 0.00 C ATOM 722 SD MET B 10 10.653 2.696 5.889 1.00 0.00 S ATOM 723 CE MET B 10 12.224 1.968 6.441 1.00 0.00 C ATOM 0 H MET B 10 7.492 0.259 7.902 1.00 0.00 H new ATOM 0 HA MET B 10 6.944 2.735 6.546 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.310 0.200 5.554 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.435 1.798 4.847 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.111 2.051 7.635 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.986 0.665 7.016 1.00 0.00 H new ATOM 0 HE1 MET B 10 13.055 2.533 6.018 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.278 2.002 7.529 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.282 0.932 6.107 1.00 0.00 H new ATOM 733 N LEU B 11 5.430 -0.090 5.678 1.00 0.00 N ATOM 734 CA LEU B 11 4.347 -0.652 4.888 1.00 0.00 C ATOM 735 C LEU B 11 3.007 -0.188 5.461 1.00 0.00 C ATOM 736 O LEU B 11 2.028 -0.135 4.702 1.00 0.00 O ATOM 737 CB LEU B 11 4.484 -2.173 4.798 1.00 0.00 C ATOM 738 CG LEU B 11 5.804 -2.697 4.227 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.106 -4.103 4.746 1.00 0.00 C ATOM 740 CD2 LEU B 11 5.802 -2.638 2.699 1.00 0.00 C ATOM 0 H LEU B 11 5.851 -0.745 6.337 1.00 0.00 H new ATOM 0 HA LEU B 11 4.397 -0.289 3.862 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.353 -2.589 5.797 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.669 -2.555 4.184 1.00 0.00 H new ATOM 0 HG LEU B 11 6.608 -2.047 4.573 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.049 -4.451 4.325 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.180 -4.081 5.833 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.305 -4.780 4.450 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.751 -3.016 2.319 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.987 -3.250 2.312 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.666 -1.606 2.375 1.00 0.00 H new ATOM 752 N LYS B 12 2.991 0.134 6.767 1.00 0.00 N ATOM 753 CA LYS B 12 1.782 0.589 7.432 1.00 0.00 C ATOM 754 C LYS B 12 1.442 2.002 6.953 1.00 0.00 C ATOM 755 O LYS B 12 0.252 2.285 6.746 1.00 0.00 O ATOM 756 CB LYS B 12 1.929 0.473 8.950 1.00 0.00 C ATOM 757 CG LYS B 12 0.724 -0.240 9.565 1.00 0.00 C ATOM 758 CD LYS B 12 0.950 -1.752 9.620 1.00 0.00 C ATOM 759 CE LYS B 12 -0.331 -2.484 10.027 1.00 0.00 C ATOM 760 NZ LYS B 12 -0.102 -3.937 10.072 1.00 0.00 N ATOM 0 H LYS B 12 3.809 0.083 7.374 1.00 0.00 H new ATOM 0 HA LYS B 12 0.939 -0.049 7.167 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.841 -0.074 9.190 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.029 1.467 9.386 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.546 0.141 10.570 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -0.169 -0.023 8.979 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.283 -2.109 8.646 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.744 -1.979 10.331 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -0.664 -2.132 11.003 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.127 -2.257 9.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -0.864 -4.392 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.091 -4.317 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.811 -4.130 10.530 1.00 0.00 H new ATOM 774 N LEU B 13 2.476 2.847 6.788 1.00 0.00 N ATOM 775 CA LEU B 13 2.287 4.215 6.338 1.00 0.00 C ATOM 776 C LEU B 13 1.922 4.214 4.851 1.00 0.00 C ATOM 777 O LEU B 13 0.998 4.946 4.470 1.00 0.00 O ATOM 778 CB LEU B 13 3.518 5.062 6.667 1.00 0.00 C ATOM 779 CG LEU B 13 3.298 6.576 6.715 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.592 7.327 6.395 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.150 6.992 5.793 1.00 0.00 C ATOM 0 H LEU B 13 3.449 2.594 6.963 1.00 0.00 H new ATOM 0 HA LEU B 13 1.457 4.679 6.870 1.00 0.00 H new ATOM 0 HB2 LEU B 13 3.908 4.741 7.633 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.289 4.850 5.926 1.00 0.00 H new ATOM 0 HG LEU B 13 3.010 6.849 7.730 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.409 8.401 6.436 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.357 7.061 7.125 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.933 7.055 5.396 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.014 8.072 5.846 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.384 6.705 4.768 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.232 6.495 6.108 1.00 0.00 H new ATOM 793 N ASP B 14 2.643 3.404 4.055 1.00 0.00 N ATOM 794 CA ASP B 14 2.396 3.309 2.627 1.00 0.00 C ATOM 795 C ASP B 14 0.967 2.816 2.391 1.00 0.00 C ATOM 796 O ASP B 14 0.339 3.268 1.423 1.00 0.00 O ATOM 797 CB ASP B 14 3.354 2.315 1.967 1.00 0.00 C ATOM 798 CG ASP B 14 3.944 2.774 0.633 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.347 3.937 0.479 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.983 1.870 -0.287 1.00 0.00 O ATOM 0 H ASP B 14 3.401 2.809 4.389 1.00 0.00 H new ATOM 0 HA ASP B 14 2.546 4.298 2.193 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.172 2.109 2.657 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.826 1.375 1.809 1.00 0.00 H new ATOM 805 N ASN B 15 0.490 1.912 3.267 1.00 0.00 N ATOM 806 CA ASN B 15 -0.851 1.365 3.155 1.00 0.00 C ATOM 807 C ASN B 15 -1.873 2.482 3.379 1.00 0.00 C ATOM 808 O ASN B 15 -2.803 2.603 2.567 1.00 0.00 O ATOM 809 CB ASN B 15 -1.095 0.283 4.208 1.00 0.00 C ATOM 810 CG ASN B 15 -2.169 -0.702 3.744 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.351 -0.535 3.991 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.692 -1.738 3.059 1.00 0.00 N ATOM 0 H ASN B 15 1.024 1.552 4.058 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.955 0.930 2.161 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.167 -0.253 4.406 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.402 0.746 5.146 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.329 -2.453 2.706 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.690 -1.818 2.887 1.00 0.00 H new ATOM 819 N TYR B 16 -1.685 3.263 4.457 1.00 0.00 N ATOM 820 CA TYR B 16 -2.623 4.339 4.728 1.00 0.00 C ATOM 821 C TYR B 16 -2.616 5.323 3.557 1.00 0.00 C ATOM 822 O TYR B 16 -3.692 5.845 3.228 1.00 0.00 O ATOM 823 CB TYR B 16 -2.267 5.028 6.058 1.00 0.00 C ATOM 824 CG TYR B 16 -1.998 4.072 7.212 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.642 2.816 7.266 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.101 4.443 8.242 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.390 1.934 8.339 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.851 3.563 9.315 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.493 2.307 9.365 1.00 0.00 C ATOM 830 OH TYR B 16 -1.246 1.457 10.405 1.00 0.00 O ATOM 0 H TYR B 16 -0.920 3.168 5.125 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.632 3.938 4.829 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.385 5.651 5.906 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.083 5.694 6.337 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.329 2.530 6.484 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.607 5.403 8.206 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.883 0.974 8.376 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.167 3.851 10.100 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.605 1.870 11.020 1.00 0.00 H new ATOM 840 N HIS B 17 -1.431 5.562 2.967 1.00 0.00 N ATOM 841 CA HIS B 17 -1.298 6.484 1.852 1.00 0.00 C ATOM 842 C HIS B 17 -1.966 5.881 0.615 1.00 0.00 C ATOM 843 O HIS B 17 -2.630 6.628 -0.119 1.00 0.00 O ATOM 844 CB HIS B 17 0.169 6.849 1.616 1.00 0.00 C ATOM 845 CG HIS B 17 0.597 6.768 0.171 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.535 7.849 -0.692 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.095 5.726 -0.555 1.00 0.00 C ATOM 848 CE1 HIS B 17 0.976 7.463 -1.880 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.322 6.146 -1.793 1.00 0.00 N ATOM 0 H HIS B 17 -0.556 5.122 3.253 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.808 7.419 2.083 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.344 7.862 1.980 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.798 6.184 2.208 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.274 4.727 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.049 8.082 -2.762 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.694 5.578 -2.554 1.00 0.00 H new ATOM 857 N LEU B 18 -1.779 4.565 0.411 1.00 0.00 N ATOM 858 CA LEU B 18 -2.359 3.872 -0.727 1.00 0.00 C ATOM 859 C LEU B 18 -3.883 3.850 -0.583 1.00 0.00 C ATOM 860 O LEU B 18 -4.573 3.977 -1.604 1.00 0.00 O ATOM 861 CB LEU B 18 -1.736 2.484 -0.883 1.00 0.00 C ATOM 862 CG LEU B 18 -0.303 2.447 -1.417 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.294 1.044 -1.292 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.239 2.971 -2.853 1.00 0.00 C ATOM 0 H LEU B 18 -1.227 3.969 1.028 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.134 4.403 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.753 1.989 0.088 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.367 1.898 -1.551 1.00 0.00 H new ATOM 0 HG LEU B 18 0.306 3.111 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.313 1.046 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.305 0.745 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.310 0.339 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.791 2.934 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.867 2.352 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.595 4.001 -2.881 1.00 0.00 H new ATOM 876 N GLU B 19 -4.367 3.692 0.662 1.00 0.00 N ATOM 877 CA GLU B 19 -5.794 3.654 0.933 1.00 0.00 C ATOM 878 C GLU B 19 -6.396 5.036 0.669 1.00 0.00 C ATOM 879 O GLU B 19 -7.379 5.117 -0.082 1.00 0.00 O ATOM 880 CB GLU B 19 -6.082 3.196 2.364 1.00 0.00 C ATOM 881 CG GLU B 19 -7.385 2.395 2.432 1.00 0.00 C ATOM 882 CD GLU B 19 -7.247 1.205 3.384 1.00 0.00 C ATOM 883 OE1 GLU B 19 -6.150 0.643 3.520 1.00 0.00 O ATOM 884 OE2 GLU B 19 -8.332 0.869 3.996 1.00 0.00 O ATOM 0 H GLU B 19 -3.780 3.589 1.490 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.257 2.926 0.267 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.256 2.585 2.727 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.149 4.063 3.021 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.196 3.041 2.767 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.650 2.040 1.436 1.00 0.00 H new ATOM 891 N ASN B 20 -5.805 6.077 1.280 1.00 0.00 N ATOM 892 CA ASN B 20 -6.279 7.440 1.111 1.00 0.00 C ATOM 893 C ASN B 20 -6.173 7.833 -0.364 1.00 0.00 C ATOM 894 O ASN B 20 -7.014 8.619 -0.827 1.00 0.00 O ATOM 895 CB ASN B 20 -5.433 8.423 1.924 1.00 0.00 C ATOM 896 CG ASN B 20 -5.320 7.972 3.382 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.147 7.239 3.899 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.252 8.451 4.013 1.00 0.00 N ATOM 0 H ASN B 20 -4.996 5.988 1.895 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.312 7.483 1.456 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.438 8.502 1.486 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.880 9.416 1.880 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -4.086 8.209 4.990 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.599 9.060 3.520 1.00 0.00 H new ATOM 905 N GLU B 21 -5.161 7.289 -1.062 1.00 0.00 N ATOM 906 CA GLU B 21 -4.950 7.581 -2.469 1.00 0.00 C ATOM 907 C GLU B 21 -5.943 6.772 -3.307 1.00 0.00 C ATOM 908 O GLU B 21 -6.352 7.262 -4.371 1.00 0.00 O ATOM 909 CB GLU B 21 -3.510 7.290 -2.895 1.00 0.00 C ATOM 910 CG GLU B 21 -3.211 7.892 -4.269 1.00 0.00 C ATOM 911 CD GLU B 21 -2.045 8.879 -4.193 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.964 9.671 -3.242 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.202 8.804 -5.168 1.00 0.00 O ATOM 0 H GLU B 21 -4.480 6.643 -0.662 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.120 8.645 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.819 7.699 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.346 6.213 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.973 7.096 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.098 8.400 -4.648 1.00 0.00 H new ATOM 920 N VAL B 22 -6.305 5.573 -2.820 1.00 0.00 N ATOM 921 CA VAL B 22 -7.240 4.708 -3.519 1.00 0.00 C ATOM 922 C VAL B 22 -8.665 5.218 -3.294 1.00 0.00 C ATOM 923 O VAL B 22 -9.471 5.153 -4.235 1.00 0.00 O ATOM 924 CB VAL B 22 -7.048 3.258 -3.073 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.359 2.476 -3.167 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.944 2.576 -3.884 1.00 0.00 C ATOM 0 H VAL B 22 -5.957 5.190 -1.941 1.00 0.00 H new ATOM 0 HA VAL B 22 -7.051 4.731 -4.592 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.739 3.268 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.194 1.448 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -9.107 2.942 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.712 2.480 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.828 1.546 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.211 2.584 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -5.005 3.112 -3.743 1.00 0.00 H new ATOM 936 N ALA B 23 -8.944 5.708 -2.073 1.00 0.00 N ATOM 937 CA ALA B 23 -10.259 6.223 -1.731 1.00 0.00 C ATOM 938 C ALA B 23 -10.510 7.520 -2.503 1.00 0.00 C ATOM 939 O ALA B 23 -11.674 7.939 -2.590 1.00 0.00 O ATOM 940 CB ALA B 23 -10.297 6.593 -0.248 1.00 0.00 C ATOM 0 H ALA B 23 -8.266 5.753 -1.312 1.00 0.00 H new ATOM 0 HA ALA B 23 -11.001 5.461 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.284 6.979 0.006 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.088 5.708 0.353 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.546 7.356 -0.044 1.00 0.00 H new ATOM 946 N ARG B 24 -9.433 8.119 -3.041 1.00 0.00 N ATOM 947 CA ARG B 24 -9.537 9.356 -3.797 1.00 0.00 C ATOM 948 C ARG B 24 -9.598 9.030 -5.292 1.00 0.00 C ATOM 949 O ARG B 24 -10.277 9.763 -6.026 1.00 0.00 O ATOM 950 CB ARG B 24 -8.346 10.280 -3.533 1.00 0.00 C ATOM 951 CG ARG B 24 -8.633 11.222 -2.361 1.00 0.00 C ATOM 952 CD ARG B 24 -7.348 11.890 -1.868 1.00 0.00 C ATOM 953 NE ARG B 24 -7.660 13.209 -1.274 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.430 14.389 -1.889 1.00 0.00 C ATOM 955 NH1 ARG B 24 -6.886 14.389 -3.114 1.00 0.00 N ATOM 956 NH2 ARG B 24 -7.740 15.543 -1.284 1.00 0.00 N ATOM 0 H ARG B 24 -8.483 7.757 -2.960 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.444 9.871 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.459 9.684 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.128 10.863 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.348 11.984 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.093 10.664 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.859 11.256 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.650 12.011 -2.696 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.075 13.228 -0.342 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.652 13.506 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -6.706 15.272 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.153 15.535 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.563 16.430 -1.756 1.00 0.00 H new ATOM 970 N LEU B 25 -8.900 7.958 -5.703 1.00 0.00 N ATOM 971 CA LEU B 25 -8.877 7.542 -7.096 1.00 0.00 C ATOM 972 C LEU B 25 -10.163 6.777 -7.417 1.00 0.00 C ATOM 973 O LEU B 25 -10.689 6.948 -8.527 1.00 0.00 O ATOM 974 CB LEU B 25 -7.600 6.755 -7.398 1.00 0.00 C ATOM 975 CG LEU B 25 -6.324 7.582 -7.562 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.093 6.679 -7.657 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.434 8.529 -8.759 1.00 0.00 C ATOM 0 H LEU B 25 -8.346 7.369 -5.081 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.851 8.411 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.442 6.036 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.758 6.182 -8.312 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.202 8.200 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.200 7.293 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.008 6.083 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.193 6.017 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.513 9.105 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.594 7.949 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.273 9.208 -8.610 1.00 0.00 H new ATOM 989 N LYS B 26 -10.635 5.963 -6.457 1.00 0.00 N ATOM 990 CA LYS B 26 -11.846 5.181 -6.637 1.00 0.00 C ATOM 991 C LYS B 26 -13.039 6.125 -6.797 1.00 0.00 C ATOM 992 O LYS B 26 -14.082 5.679 -7.297 1.00 0.00 O ATOM 993 CB LYS B 26 -12.008 4.173 -5.497 1.00 0.00 C ATOM 994 CG LYS B 26 -12.847 2.974 -5.941 1.00 0.00 C ATOM 995 CD LYS B 26 -12.138 2.186 -7.045 1.00 0.00 C ATOM 996 CE LYS B 26 -10.644 2.049 -6.747 1.00 0.00 C ATOM 997 NZ LYS B 26 -10.094 0.855 -7.410 1.00 0.00 N ATOM 0 H LYS B 26 -10.186 5.837 -5.550 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.784 4.588 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.027 3.832 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.482 4.657 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -13.036 2.322 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -13.817 3.318 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.587 1.197 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.277 2.689 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.116 2.939 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.487 1.980 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.055 0.908 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.394 0.003 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.444 0.809 -8.388 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.865 7.391 -6.376 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.920 8.386 -6.471 1.00 0.00 C ATOM 1013 C LYS B 27 -13.891 9.023 -7.862 1.00 0.00 C ATOM 1014 O LYS B 27 -14.887 9.654 -8.243 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.806 9.399 -5.330 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.186 9.751 -4.770 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.192 11.159 -4.174 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.126 11.300 -3.086 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.157 10.139 -2.181 1.00 0.00 N ATOM 0 H LYS B 27 -11.997 7.738 -5.967 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.897 7.917 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.181 8.990 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.314 10.303 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.932 9.684 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.468 9.027 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.012 11.891 -4.961 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.175 11.376 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.140 11.386 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.295 12.215 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.833 10.427 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.129 9.774 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.531 9.395 -2.550 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.768 8.846 -8.582 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.613 9.398 -9.917 1.00 0.00 C ATOM 1035 C LEU B 28 -12.859 8.299 -10.951 1.00 0.00 C ATOM 1036 O LEU B 28 -13.414 8.603 -12.017 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.253 10.084 -10.059 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.274 11.507 -10.623 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.660 12.518 -9.542 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.939 11.854 -11.283 1.00 0.00 C ATOM 0 H LEU B 28 -11.959 8.321 -8.250 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.356 10.175 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.778 10.110 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.624 9.469 -10.702 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.038 11.557 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.668 13.521 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.652 12.279 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.936 12.475 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.980 12.870 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.139 11.782 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.745 11.158 -12.099 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.448 7.060 -10.623 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.622 5.928 -11.517 1.00 0.00 C ATOM 1054 C VAL B 29 -13.744 5.033 -10.987 1.00 0.00 C ATOM 1055 O VAL B 29 -14.782 4.928 -11.656 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.295 5.186 -11.688 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.393 4.135 -12.794 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.151 6.165 -11.960 1.00 0.00 C ATOM 0 H VAL B 29 -11.993 6.829 -9.740 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.918 6.268 -12.509 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.077 4.668 -10.754 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.436 3.622 -12.895 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.168 3.411 -12.541 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.645 4.621 -13.736 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.219 5.612 -12.078 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.359 6.723 -12.873 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.059 6.858 -11.124 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.517 4.415 -9.814 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.502 3.538 -9.202 1.00 0.00 C ATOM 1070 C GLY B 30 -15.815 4.302 -9.021 1.00 0.00 C ATOM 1071 O GLY B 30 -16.820 3.670 -8.664 1.00 0.00 O ATOM 0 H GLY B 30 -12.655 4.514 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.662 2.660 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.139 3.181 -8.238 1.00 0.00 H new