USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 439 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 20 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.0845 X(o=-0.084,f=-0.47) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0167 (180deg=-0.222) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 96:sc= 0.927 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.192 (180deg=-0.621) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.022 -5.843 2.938 1.00 0.00 N ATOM 2 CA MET A 1 -10.012 -5.522 1.917 1.00 0.00 C ATOM 3 C MET A 1 -10.008 -4.028 1.606 1.00 0.00 C ATOM 4 O MET A 1 -10.272 -3.619 0.476 1.00 0.00 O ATOM 5 CB MET A 1 -11.406 -5.956 2.373 1.00 0.00 C ATOM 6 CG MET A 1 -11.779 -7.363 1.934 1.00 0.00 C ATOM 7 SD MET A 1 -13.517 -7.510 1.477 1.00 0.00 S ATOM 8 CE MET A 1 -14.077 -8.729 2.664 1.00 0.00 C ATOM 0 H1 MET A 1 -8.898 -6.874 2.989 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.115 -5.396 2.695 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.346 -5.488 3.860 1.00 0.00 H new ATOM 0 HA MET A 1 -9.750 -6.065 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.458 -5.898 3.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.142 -5.255 1.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.159 -7.651 1.085 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.559 -8.062 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.138 -8.927 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.512 -9.652 2.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.923 -8.351 3.674 1.00 0.00 H new ATOM 18 N ALA A 2 -9.706 -3.219 2.617 1.00 0.00 N ATOM 19 CA ALA A 2 -9.666 -1.772 2.450 1.00 0.00 C ATOM 20 C ALA A 2 -8.617 -1.366 1.421 1.00 0.00 C ATOM 21 O ALA A 2 -8.785 -0.380 0.704 1.00 0.00 O ATOM 22 CB ALA A 2 -9.389 -1.095 3.784 1.00 0.00 C ATOM 0 H ALA A 2 -9.486 -3.542 3.559 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.640 -1.446 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.362 -0.014 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.178 -1.350 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.429 -1.435 4.172 1.00 0.00 H new ATOM 28 N VAL A 3 -7.533 -2.133 1.353 1.00 0.00 N ATOM 29 CA VAL A 3 -6.456 -1.854 0.411 1.00 0.00 C ATOM 30 C VAL A 3 -5.804 -3.143 -0.076 1.00 0.00 C ATOM 31 O VAL A 3 -5.498 -3.289 -1.260 1.00 0.00 O ATOM 32 CB VAL A 3 -5.379 -0.952 1.042 1.00 0.00 C ATOM 33 CG1 VAL A 3 -4.348 -0.544 0.001 1.00 0.00 C ATOM 34 CG2 VAL A 3 -6.016 0.272 1.682 1.00 0.00 C ATOM 0 H VAL A 3 -7.378 -2.953 1.940 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.903 -1.335 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.869 -1.517 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.595 0.093 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.869 -1.435 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.840 0.003 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.240 0.898 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.554 0.841 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.712 -0.044 2.459 1.00 0.00 H new ATOM 44 N LYS A 4 -5.593 -4.077 0.845 1.00 0.00 N ATOM 45 CA LYS A 4 -4.978 -5.356 0.511 1.00 0.00 C ATOM 46 C LYS A 4 -5.696 -6.015 -0.663 1.00 0.00 C ATOM 47 O LYS A 4 -5.088 -6.748 -1.444 1.00 0.00 O ATOM 48 CB LYS A 4 -5.001 -6.289 1.724 1.00 0.00 C ATOM 49 CG LYS A 4 -4.265 -5.734 2.932 1.00 0.00 C ATOM 50 CD LYS A 4 -2.770 -5.989 2.839 1.00 0.00 C ATOM 51 CE LYS A 4 -1.978 -4.692 2.908 1.00 0.00 C ATOM 52 NZ LYS A 4 -0.510 -4.940 2.935 1.00 0.00 N ATOM 0 H LYS A 4 -5.839 -3.972 1.829 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.943 -5.169 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.037 -6.488 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.556 -7.244 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.448 -4.662 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.657 -6.192 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.461 -6.649 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.545 -6.505 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.225 -4.069 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.269 -4.136 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.005 -4.032 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.270 -5.513 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.228 -5.448 2.073 1.00 0.00 H new ATOM 66 N LEU A 5 -6.992 -5.749 -0.783 1.00 0.00 N ATOM 67 CA LEU A 5 -7.793 -6.314 -1.863 1.00 0.00 C ATOM 68 C LEU A 5 -7.184 -5.985 -3.222 1.00 0.00 C ATOM 69 O LEU A 5 -6.197 -5.256 -3.311 1.00 0.00 O ATOM 70 CB LEU A 5 -9.226 -5.786 -1.792 1.00 0.00 C ATOM 71 CG LEU A 5 -10.301 -6.808 -1.418 1.00 0.00 C ATOM 72 CD1 LEU A 5 -11.625 -6.113 -1.142 1.00 0.00 C ATOM 73 CD2 LEU A 5 -10.459 -7.844 -2.521 1.00 0.00 C ATOM 0 H LEU A 5 -7.511 -5.145 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.806 -7.397 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.257 -4.974 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.482 -5.357 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.987 -7.321 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.378 -6.856 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.502 -5.411 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.945 -5.573 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.228 -8.563 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.750 -7.348 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.513 -8.364 -2.670 1.00 0.00 H new ATOM 85 N MET A 6 -7.781 -6.527 -4.279 1.00 0.00 N ATOM 86 CA MET A 6 -7.299 -6.287 -5.634 1.00 0.00 C ATOM 87 C MET A 6 -7.193 -4.792 -5.917 1.00 0.00 C ATOM 88 O MET A 6 -6.374 -4.360 -6.728 1.00 0.00 O ATOM 89 CB MET A 6 -8.230 -6.946 -6.654 1.00 0.00 C ATOM 90 CG MET A 6 -8.158 -8.464 -6.650 1.00 0.00 C ATOM 91 SD MET A 6 -7.379 -9.126 -8.135 1.00 0.00 S ATOM 92 CE MET A 6 -8.817 -9.485 -9.141 1.00 0.00 C ATOM 0 H MET A 6 -8.598 -7.135 -4.223 1.00 0.00 H new ATOM 0 HA MET A 6 -6.306 -6.727 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.256 -6.638 -6.449 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.980 -6.581 -7.650 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.601 -8.795 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 6 -9.165 -8.871 -6.560 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.498 -9.902 -10.096 1.00 0.00 H new ATOM 0 HE2 MET A 6 -9.452 -10.205 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 6 -9.377 -8.567 -9.316 1.00 0.00 H new ATOM 102 N GLY A 7 -8.028 -4.006 -5.244 1.00 0.00 N ATOM 103 CA GLY A 7 -8.011 -2.568 -5.437 1.00 0.00 C ATOM 104 C GLY A 7 -9.127 -2.092 -6.347 1.00 0.00 C ATOM 105 O GLY A 7 -9.541 -0.935 -6.281 1.00 0.00 O ATOM 0 H GLY A 7 -8.716 -4.340 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.099 -2.074 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.051 -2.272 -5.860 1.00 0.00 H new ATOM 109 N VAL A 8 -9.615 -2.988 -7.200 1.00 0.00 N ATOM 110 CA VAL A 8 -10.689 -2.654 -8.127 1.00 0.00 C ATOM 111 C VAL A 8 -11.915 -2.134 -7.384 1.00 0.00 C ATOM 112 O VAL A 8 -12.722 -1.389 -7.941 1.00 0.00 O ATOM 113 CB VAL A 8 -11.096 -3.872 -8.977 1.00 0.00 C ATOM 114 CG1 VAL A 8 -12.201 -3.497 -9.953 1.00 0.00 C ATOM 115 CG2 VAL A 8 -9.890 -4.434 -9.714 1.00 0.00 C ATOM 0 H VAL A 8 -9.283 -3.950 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.308 -1.873 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.479 -4.646 -8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.475 -4.370 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.072 -3.146 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.849 -2.706 -10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.196 -5.294 -10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.475 -3.668 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.134 -4.743 -8.992 1.00 0.00 H new ATOM 125 N ASP A 9 -12.048 -2.531 -6.123 1.00 0.00 N ATOM 126 CA ASP A 9 -13.175 -2.103 -5.302 1.00 0.00 C ATOM 127 C ASP A 9 -12.996 -0.660 -4.842 1.00 0.00 C ATOM 128 O ASP A 9 -13.970 0.041 -4.567 1.00 0.00 O ATOM 129 CB ASP A 9 -13.327 -3.023 -4.090 1.00 0.00 C ATOM 130 CG ASP A 9 -14.310 -4.151 -4.338 1.00 0.00 C ATOM 131 OD1 ASP A 9 -13.931 -5.129 -5.017 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.456 -4.056 -3.853 1.00 0.00 O ATOM 0 H ASP A 9 -11.390 -3.148 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.078 -2.161 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.355 -3.443 -3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.659 -2.438 -3.233 1.00 0.00 H new ATOM 137 N LYS A 10 -11.744 -0.222 -4.760 1.00 0.00 N ATOM 138 CA LYS A 10 -11.436 1.138 -4.334 1.00 0.00 C ATOM 139 C LYS A 10 -11.612 2.123 -5.486 1.00 0.00 C ATOM 140 O LYS A 10 -12.161 3.210 -5.306 1.00 0.00 O ATOM 141 CB LYS A 10 -10.005 1.214 -3.798 1.00 0.00 C ATOM 142 CG LYS A 10 -9.766 2.390 -2.866 1.00 0.00 C ATOM 143 CD LYS A 10 -8.945 3.477 -3.538 1.00 0.00 C ATOM 144 CE LYS A 10 -7.480 3.399 -3.136 1.00 0.00 C ATOM 145 NZ LYS A 10 -6.885 4.750 -2.943 1.00 0.00 N ATOM 0 H LYS A 10 -10.926 -0.789 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.131 1.409 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.775 0.289 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.314 1.281 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.723 2.802 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.251 2.046 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.032 3.383 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.345 4.455 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.387 2.826 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.921 2.862 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.886 4.654 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.951 5.288 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.402 5.253 -2.194 1.00 0.00 H new ATOM 159 N ILE A 11 -11.144 1.734 -6.667 1.00 0.00 N ATOM 160 CA ILE A 11 -11.253 2.582 -7.848 1.00 0.00 C ATOM 161 C ILE A 11 -12.695 2.661 -8.336 1.00 0.00 C ATOM 162 O ILE A 11 -13.137 3.697 -8.834 1.00 0.00 O ATOM 163 CB ILE A 11 -10.362 2.067 -8.994 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.731 0.625 -9.348 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.893 2.165 -8.608 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.834 0.520 -10.378 1.00 0.00 C ATOM 0 H ILE A 11 -10.686 0.838 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.916 3.577 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.529 2.690 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.845 0.113 -9.723 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.040 0.104 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.276 1.797 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.640 3.205 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.710 1.563 -7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.044 -0.530 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.734 1.003 -9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.520 1.012 -11.299 1.00 0.00 H new ATOM 178 N LYS A 12 -13.425 1.561 -8.190 1.00 0.00 N ATOM 179 CA LYS A 12 -14.819 1.505 -8.613 1.00 0.00 C ATOM 180 C LYS A 12 -15.718 2.237 -7.621 1.00 0.00 C ATOM 181 O LYS A 12 -16.756 2.782 -7.995 1.00 0.00 O ATOM 182 CB LYS A 12 -15.274 0.051 -8.753 1.00 0.00 C ATOM 183 CG LYS A 12 -16.772 -0.103 -8.948 1.00 0.00 C ATOM 184 CD LYS A 12 -17.449 -0.614 -7.687 1.00 0.00 C ATOM 185 CE LYS A 12 -18.598 0.289 -7.266 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.917 -0.254 -7.697 1.00 0.00 N ATOM 0 H LYS A 12 -13.074 0.695 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.898 1.998 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.758 -0.402 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.974 -0.502 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.204 0.857 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.964 -0.793 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.822 -1.624 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.719 -0.675 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.590 0.406 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.456 1.281 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.674 0.390 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.934 -0.342 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.064 -1.190 -7.268 1.00 0.00 H new ATOM 200 N SER A 13 -15.312 2.245 -6.355 1.00 0.00 N ATOM 201 CA SER A 13 -16.082 2.908 -5.309 1.00 0.00 C ATOM 202 C SER A 13 -15.629 4.354 -5.135 1.00 0.00 C ATOM 203 O SER A 13 -16.349 5.179 -4.571 1.00 0.00 O ATOM 204 CB SER A 13 -15.939 2.153 -3.986 1.00 0.00 C ATOM 205 OG SER A 13 -16.511 0.860 -4.072 1.00 0.00 O ATOM 0 H SER A 13 -14.454 1.800 -6.029 1.00 0.00 H new ATOM 0 HA SER A 13 -17.130 2.908 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.884 2.071 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.424 2.716 -3.188 1.00 0.00 H new ATOM 0 HG SER A 13 -15.812 0.206 -4.284 1.00 0.00 H new ATOM 211 N LYS A 14 -14.431 4.655 -5.623 1.00 0.00 N ATOM 212 CA LYS A 14 -13.880 6.001 -5.523 1.00 0.00 C ATOM 213 C LYS A 14 -14.701 6.988 -6.347 1.00 0.00 C ATOM 214 O LYS A 14 -15.482 7.768 -5.801 1.00 0.00 O ATOM 215 CB LYS A 14 -12.424 6.015 -5.995 1.00 0.00 C ATOM 216 CG LYS A 14 -11.850 7.412 -6.156 1.00 0.00 C ATOM 217 CD LYS A 14 -12.057 8.248 -4.904 1.00 0.00 C ATOM 218 CE LYS A 14 -13.081 9.348 -5.132 1.00 0.00 C ATOM 219 NZ LYS A 14 -12.616 10.659 -4.599 1.00 0.00 N ATOM 0 H LYS A 14 -13.822 3.984 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.920 6.306 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.814 5.461 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.355 5.491 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.785 7.345 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.322 7.905 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.387 7.606 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.108 8.690 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.282 9.441 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.021 9.074 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.090 11.430 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.846 10.724 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.587 10.740 -4.726 1.00 0.00 H new ATOM 233 N ILE A 15 -14.520 6.947 -7.663 1.00 0.00 N ATOM 234 CA ILE A 15 -15.247 7.836 -8.561 1.00 0.00 C ATOM 235 C ILE A 15 -16.754 7.692 -8.377 1.00 0.00 C ATOM 236 O ILE A 15 -17.502 8.661 -8.507 1.00 0.00 O ATOM 237 CB ILE A 15 -14.892 7.561 -10.034 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.375 7.474 -10.208 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.472 8.646 -10.930 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.874 6.067 -10.451 1.00 0.00 C ATOM 0 H ILE A 15 -13.877 6.308 -8.131 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.949 8.853 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.328 6.605 -10.325 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.076 8.107 -11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.892 7.874 -9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.213 8.438 -11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.557 8.664 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.063 9.614 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.790 6.081 -10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.141 5.434 -9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.329 5.670 -11.359 1.00 0.00 H new ATOM 252 N LEU A 16 -17.193 6.475 -8.073 1.00 0.00 N ATOM 253 CA LEU A 16 -18.612 6.203 -7.869 1.00 0.00 C ATOM 254 C LEU A 16 -19.142 6.958 -6.654 1.00 0.00 C ATOM 255 O LEU A 16 -20.073 7.756 -6.764 1.00 0.00 O ATOM 256 CB LEU A 16 -18.842 4.701 -7.690 1.00 0.00 C ATOM 257 CG LEU A 16 -20.266 4.280 -7.324 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.470 4.341 -5.819 1.00 0.00 C ATOM 259 CD2 LEU A 16 -21.282 5.158 -8.039 1.00 0.00 C ATOM 0 H LEU A 16 -16.587 5.662 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.153 6.545 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.562 4.198 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.167 4.340 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.415 3.250 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.489 4.038 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -19.766 3.669 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.302 5.360 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -22.290 4.844 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.134 6.198 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -21.151 5.062 -9.117 1.00 0.00 H new ATOM 271 N ASP A 17 -18.541 6.703 -5.497 1.00 0.00 N ATOM 272 CA ASP A 17 -18.950 7.361 -4.261 1.00 0.00 C ATOM 273 C ASP A 17 -18.707 8.865 -4.340 1.00 0.00 C ATOM 274 O ASP A 17 -19.490 9.659 -3.819 1.00 0.00 O ATOM 275 CB ASP A 17 -18.195 6.771 -3.070 1.00 0.00 C ATOM 276 CG ASP A 17 -18.531 5.311 -2.836 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.691 4.922 -3.087 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.634 4.557 -2.402 1.00 0.00 O ATOM 0 H ASP A 17 -17.769 6.045 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.018 7.191 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.123 6.872 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.433 7.344 -2.173 1.00 0.00 H new ATOM 283 N ASP A 18 -17.616 9.248 -4.994 1.00 0.00 N ATOM 284 CA ASP A 18 -17.269 10.657 -5.141 1.00 0.00 C ATOM 285 C ASP A 18 -18.280 11.377 -6.027 1.00 0.00 C ATOM 286 O ASP A 18 -18.764 12.455 -5.685 1.00 0.00 O ATOM 287 CB ASP A 18 -15.864 10.799 -5.729 1.00 0.00 C ATOM 288 CG ASP A 18 -15.697 12.078 -6.526 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.314 13.105 -5.927 1.00 0.00 O ATOM 290 OD2 ASP A 18 -15.949 12.052 -7.749 1.00 0.00 O ATOM 0 H ASP A 18 -16.957 8.603 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.289 11.116 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.132 10.779 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.654 9.944 -6.371 1.00 0.00 H new ATOM 295 N ALA A 19 -18.595 10.772 -7.168 1.00 0.00 N ATOM 296 CA ALA A 19 -19.549 11.355 -8.103 1.00 0.00 C ATOM 297 C ALA A 19 -20.911 11.552 -7.446 1.00 0.00 C ATOM 298 O ALA A 19 -21.397 12.677 -7.324 1.00 0.00 O ATOM 299 CB ALA A 19 -19.680 10.477 -9.339 1.00 0.00 C ATOM 0 H ALA A 19 -18.203 9.879 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 19 -19.174 12.334 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.396 10.924 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.710 10.390 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -20.029 9.487 -9.046 1.00 0.00 H new ATOM 305 N LYS A 20 -21.524 10.451 -7.025 1.00 0.00 N ATOM 306 CA LYS A 20 -22.831 10.502 -6.379 1.00 0.00 C ATOM 307 C LYS A 20 -22.829 11.498 -5.224 1.00 0.00 C ATOM 308 O LYS A 20 -23.804 12.217 -5.010 1.00 0.00 O ATOM 309 CB LYS A 20 -23.225 9.114 -5.869 1.00 0.00 C ATOM 310 CG LYS A 20 -22.202 8.498 -4.931 1.00 0.00 C ATOM 311 CD LYS A 20 -22.570 8.730 -3.475 1.00 0.00 C ATOM 312 CE LYS A 20 -23.626 7.742 -3.002 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.756 8.425 -2.313 1.00 0.00 N ATOM 0 H LYS A 20 -21.137 9.512 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.561 10.832 -7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.183 9.184 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.370 8.450 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.129 7.427 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -21.219 8.925 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.679 8.637 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.940 9.747 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.007 7.181 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.170 7.020 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.385 7.714 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.383 9.047 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -25.291 8.992 -3.002 1.00 0.00 H new ATOM 327 N ALA A 21 -21.726 11.534 -4.482 1.00 0.00 N ATOM 328 CA ALA A 21 -21.596 12.445 -3.351 1.00 0.00 C ATOM 329 C ALA A 21 -21.577 13.897 -3.815 1.00 0.00 C ATOM 330 O ALA A 21 -22.335 14.727 -3.315 1.00 0.00 O ATOM 331 CB ALA A 21 -20.337 12.125 -2.559 1.00 0.00 C ATOM 0 H ALA A 21 -20.910 10.943 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.463 12.309 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.252 12.812 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.391 11.102 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.465 12.231 -3.204 1.00 0.00 H new ATOM 337 N GLU A 22 -20.705 14.197 -4.773 1.00 0.00 N ATOM 338 CA GLU A 22 -20.588 15.550 -5.302 1.00 0.00 C ATOM 339 C GLU A 22 -21.903 16.007 -5.926 1.00 0.00 C ATOM 340 O GLU A 22 -22.246 17.188 -5.883 1.00 0.00 O ATOM 341 CB GLU A 22 -19.466 15.620 -6.340 1.00 0.00 C ATOM 342 CG GLU A 22 -18.080 15.756 -5.732 1.00 0.00 C ATOM 343 CD GLU A 22 -17.143 16.578 -6.594 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.740 16.087 -7.669 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.811 17.714 -6.193 1.00 0.00 O ATOM 0 H GLU A 22 -20.070 13.521 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.349 16.217 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.496 14.721 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.648 16.467 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.163 16.219 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.654 14.764 -5.583 1.00 0.00 H new ATOM 352 N ALA A 23 -22.635 15.062 -6.508 1.00 0.00 N ATOM 353 CA ALA A 23 -23.912 15.365 -7.140 1.00 0.00 C ATOM 354 C ALA A 23 -25.029 15.457 -6.105 1.00 0.00 C ATOM 355 O ALA A 23 -26.079 16.043 -6.362 1.00 0.00 O ATOM 356 CB ALA A 23 -24.246 14.314 -8.187 1.00 0.00 C ATOM 0 H ALA A 23 -22.364 14.080 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.825 16.335 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.203 14.554 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.467 14.299 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.308 13.335 -7.713 1.00 0.00 H new ATOM 362 N ASN A 24 -24.794 14.872 -4.935 1.00 0.00 N ATOM 363 CA ASN A 24 -25.781 14.887 -3.861 1.00 0.00 C ATOM 364 C ASN A 24 -25.598 16.112 -2.970 1.00 0.00 C ATOM 365 O ASN A 24 -26.541 16.573 -2.328 1.00 0.00 O ATOM 366 CB ASN A 24 -25.672 13.611 -3.023 1.00 0.00 C ATOM 367 CG ASN A 24 -26.660 12.547 -3.458 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.836 12.831 -3.686 1.00 0.00 O ATOM 369 ND2 ASN A 24 -26.186 11.312 -3.576 1.00 0.00 N ATOM 0 H ASN A 24 -23.929 14.382 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.772 14.934 -4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.659 13.215 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.842 13.853 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.804 10.554 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.204 11.121 -3.377 1.00 0.00 H new ATOM 376 N LYS A 25 -24.377 16.635 -2.937 1.00 0.00 N ATOM 377 CA LYS A 25 -24.069 17.808 -2.128 1.00 0.00 C ATOM 378 C LYS A 25 -24.276 19.091 -2.927 1.00 0.00 C ATOM 379 O LYS A 25 -24.521 20.154 -2.358 1.00 0.00 O ATOM 380 CB LYS A 25 -22.627 17.738 -1.620 1.00 0.00 C ATOM 381 CG LYS A 25 -21.593 17.670 -2.731 1.00 0.00 C ATOM 382 CD LYS A 25 -21.222 19.055 -3.233 1.00 0.00 C ATOM 383 CE LYS A 25 -19.782 19.404 -2.891 1.00 0.00 C ATOM 384 NZ LYS A 25 -19.586 20.874 -2.747 1.00 0.00 N ATOM 0 H LYS A 25 -23.584 16.265 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.748 17.819 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.426 18.612 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.518 16.862 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.700 17.163 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.983 17.075 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.362 19.101 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.891 19.794 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.499 18.907 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.121 19.024 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.592 21.070 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.832 21.346 -3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.197 21.233 -1.986 1.00 0.00 H new ATOM 398 N ILE A 26 -24.176 18.982 -4.247 1.00 0.00 N ATOM 399 CA ILE A 26 -24.356 20.133 -5.124 1.00 0.00 C ATOM 400 C ILE A 26 -25.834 20.462 -5.303 1.00 0.00 C ATOM 401 O ILE A 26 -26.196 21.607 -5.578 1.00 0.00 O ATOM 402 CB ILE A 26 -23.723 19.891 -6.507 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.452 21.224 -7.208 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.630 19.014 -7.358 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.398 22.064 -6.520 1.00 0.00 C ATOM 0 H ILE A 26 -23.971 18.109 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.855 20.975 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.773 19.374 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.138 21.029 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.380 21.793 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.169 18.852 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.778 18.055 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.593 19.507 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.257 22.994 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.719 22.290 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.457 21.514 -6.490 1.00 0.00 H new ATOM 417 N ILE A 27 -26.683 19.452 -5.145 1.00 0.00 N ATOM 418 CA ILE A 27 -28.122 19.635 -5.287 1.00 0.00 C ATOM 419 C ILE A 27 -28.740 20.155 -3.994 1.00 0.00 C ATOM 420 O ILE A 27 -29.725 20.893 -4.017 1.00 0.00 O ATOM 421 CB ILE A 27 -28.820 18.321 -5.685 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.473 17.213 -4.689 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.422 17.916 -7.096 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.667 16.701 -3.914 1.00 0.00 C ATOM 0 H ILE A 27 -26.399 18.499 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.270 20.370 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.898 18.478 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.016 16.382 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.728 17.587 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.923 16.986 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.714 18.699 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.342 17.773 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.346 15.918 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -30.112 17.520 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.404 16.296 -4.607 1.00 0.00 H new ATOM 436 N SER A 28 -28.153 19.767 -2.866 1.00 0.00 N ATOM 437 CA SER A 28 -28.647 20.192 -1.562 1.00 0.00 C ATOM 438 C SER A 28 -28.087 21.561 -1.189 1.00 0.00 C ATOM 439 O SER A 28 -28.837 22.488 -0.884 1.00 0.00 O ATOM 440 CB SER A 28 -28.272 19.166 -0.491 1.00 0.00 C ATOM 441 OG SER A 28 -29.150 19.242 0.619 1.00 0.00 O ATOM 0 H SER A 28 -27.335 19.159 -2.829 1.00 0.00 H new ATOM 0 HA SER A 28 -29.733 20.266 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 28 -28.305 18.163 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.248 19.339 -0.161 1.00 0.00 H new ATOM 0 HG SER A 28 -28.890 18.575 1.288 1.00 0.00 H new ATOM 447 N GLU A 29 -26.764 21.679 -1.215 1.00 0.00 N ATOM 448 CA GLU A 29 -26.102 22.935 -0.879 1.00 0.00 C ATOM 449 C GLU A 29 -26.601 24.068 -1.771 1.00 0.00 C ATOM 450 O GLU A 29 -26.529 25.240 -1.402 1.00 0.00 O ATOM 451 CB GLU A 29 -24.585 22.791 -1.018 1.00 0.00 C ATOM 452 CG GLU A 29 -23.966 21.856 0.007 1.00 0.00 C ATOM 453 CD GLU A 29 -23.460 22.588 1.234 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.288 23.020 1.227 1.00 0.00 O ATOM 455 OE2 GLU A 29 -24.235 22.728 2.203 1.00 0.00 O ATOM 0 H GLU A 29 -26.129 20.921 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.343 23.178 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.353 22.425 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.125 23.775 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.705 21.115 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.141 21.313 -0.454 1.00 0.00 H new ATOM 462 N ALA A 30 -27.105 23.709 -2.947 1.00 0.00 N ATOM 463 CA ALA A 30 -27.617 24.695 -3.891 1.00 0.00 C ATOM 464 C ALA A 30 -29.041 25.108 -3.535 1.00 0.00 C ATOM 465 O ALA A 30 -29.284 26.245 -3.131 1.00 0.00 O ATOM 466 CB ALA A 30 -27.564 24.144 -5.309 1.00 0.00 C ATOM 0 H ALA A 30 -27.170 22.743 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 30 -26.985 25.581 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -27.949 24.890 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.533 23.905 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.172 23.242 -5.372 1.00 0.00 H new ATOM 472 N GLU A 31 -29.979 24.179 -3.688 1.00 0.00 N ATOM 473 CA GLU A 31 -31.379 24.449 -3.384 1.00 0.00 C ATOM 474 C GLU A 31 -31.528 25.033 -1.982 1.00 0.00 C ATOM 475 O GLU A 31 -32.455 25.796 -1.711 1.00 0.00 O ATOM 476 CB GLU A 31 -32.207 23.168 -3.506 1.00 0.00 C ATOM 477 CG GLU A 31 -32.015 22.207 -2.344 1.00 0.00 C ATOM 478 CD GLU A 31 -32.496 20.805 -2.662 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.647 20.485 -3.860 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.722 20.026 -1.712 1.00 0.00 O ATOM 0 H GLU A 31 -29.795 23.233 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 31 -31.746 25.180 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.262 23.433 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -31.942 22.661 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -30.959 22.173 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.553 22.583 -1.474 1.00 0.00 H new ATOM 487 N ALA A 32 -30.609 24.668 -1.095 1.00 0.00 N ATOM 488 CA ALA A 32 -30.636 25.156 0.278 1.00 0.00 C ATOM 489 C ALA A 32 -30.412 26.664 0.330 1.00 0.00 C ATOM 490 O ALA A 32 -31.323 27.424 0.654 1.00 0.00 O ATOM 491 CB ALA A 32 -29.589 24.436 1.115 1.00 0.00 C ATOM 0 H ALA A 32 -29.836 24.036 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.623 24.947 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.621 24.811 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.795 23.366 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.600 24.615 0.693 1.00 0.00 H new ATOM 497 N GLU A 33 -29.194 27.088 0.009 1.00 0.00 N ATOM 498 CA GLU A 33 -28.852 28.505 0.020 1.00 0.00 C ATOM 499 C GLU A 33 -29.703 29.279 -0.983 1.00 0.00 C ATOM 500 O GLU A 33 -29.947 30.474 -0.816 1.00 0.00 O ATOM 501 CB GLU A 33 -27.367 28.697 -0.299 1.00 0.00 C ATOM 502 CG GLU A 33 -27.016 28.415 -1.750 1.00 0.00 C ATOM 503 CD GLU A 33 -25.528 28.219 -1.963 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.768 28.338 -0.979 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.122 27.947 -3.112 1.00 0.00 O ATOM 0 H GLU A 33 -28.428 26.471 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.055 28.893 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.081 29.721 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.778 28.041 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.547 27.523 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.362 29.241 -2.371 1.00 0.00 H new ATOM 512 N LYS A 34 -30.152 28.588 -2.025 1.00 0.00 N ATOM 513 CA LYS A 34 -30.977 29.207 -3.056 1.00 0.00 C ATOM 514 C LYS A 34 -32.382 29.489 -2.532 1.00 0.00 C ATOM 515 O LYS A 34 -32.838 30.631 -2.535 1.00 0.00 O ATOM 516 CB LYS A 34 -31.052 28.304 -4.289 1.00 0.00 C ATOM 517 CG LYS A 34 -31.755 28.948 -5.472 1.00 0.00 C ATOM 518 CD LYS A 34 -30.915 28.859 -6.735 1.00 0.00 C ATOM 519 CE LYS A 34 -30.932 27.455 -7.319 1.00 0.00 C ATOM 520 NZ LYS A 34 -31.167 27.468 -8.789 1.00 0.00 N ATOM 0 H LYS A 34 -29.958 27.598 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.516 30.154 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.041 28.024 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.573 27.384 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -32.715 28.458 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -31.965 29.994 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -31.292 29.566 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -29.888 29.149 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -29.983 26.962 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -31.711 26.869 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -31.171 26.492 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -32.084 27.915 -8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -30.410 28.006 -9.257 1.00 0.00 H new ATOM 534 N ALA A 35 -33.062 28.439 -2.082 1.00 0.00 N ATOM 535 CA ALA A 35 -34.413 28.574 -1.552 1.00 0.00 C ATOM 536 C ALA A 35 -34.438 29.502 -0.342 1.00 0.00 C ATOM 537 O ALA A 35 -35.491 30.010 0.042 1.00 0.00 O ATOM 538 CB ALA A 35 -34.975 27.209 -1.184 1.00 0.00 C ATOM 0 H ALA A 35 -32.699 27.486 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.038 29.015 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.984 27.325 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.003 26.576 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.341 26.746 -0.428 1.00 0.00 H new ATOM 544 N LYS A 36 -33.271 29.718 0.256 1.00 0.00 N ATOM 545 CA LYS A 36 -33.158 30.586 1.422 1.00 0.00 C ATOM 546 C LYS A 36 -33.056 32.049 1.005 1.00 0.00 C ATOM 547 O LYS A 36 -33.749 32.909 1.549 1.00 0.00 O ATOM 548 CB LYS A 36 -31.935 30.196 2.256 1.00 0.00 C ATOM 549 CG LYS A 36 -31.991 30.697 3.689 1.00 0.00 C ATOM 550 CD LYS A 36 -30.955 30.009 4.562 1.00 0.00 C ATOM 551 CE LYS A 36 -29.638 30.770 4.569 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.684 30.218 5.570 1.00 0.00 N ATOM 0 H LYS A 36 -32.390 29.304 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.057 30.461 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.842 29.110 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.039 30.590 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.824 31.774 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.986 30.522 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.334 29.926 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.788 28.995 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.189 30.727 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.827 31.821 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.799 30.764 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -29.102 30.282 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.484 29.222 5.346 1.00 0.00 H new ATOM 566 N ILE A 37 -32.189 32.324 0.036 1.00 0.00 N ATOM 567 CA ILE A 37 -31.999 33.683 -0.456 1.00 0.00 C ATOM 568 C ILE A 37 -33.148 34.104 -1.365 1.00 0.00 C ATOM 569 O ILE A 37 -33.495 35.284 -1.441 1.00 0.00 O ATOM 570 CB ILE A 37 -30.672 33.823 -1.225 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.719 33.008 -2.519 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.506 33.379 -0.355 1.00 0.00 C ATOM 573 CD1 ILE A 37 -29.449 33.098 -3.336 1.00 0.00 C ATOM 0 H ILE A 37 -31.607 31.624 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.973 34.334 0.418 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.528 34.872 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.911 31.963 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.557 33.352 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.575 33.484 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.464 33.998 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.642 32.336 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -29.554 32.496 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.267 34.137 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -28.610 32.726 -2.747 1.00 0.00 H new ATOM 585 N LEU A 38 -33.737 33.133 -2.054 1.00 0.00 N ATOM 586 CA LEU A 38 -34.850 33.401 -2.958 1.00 0.00 C ATOM 587 C LEU A 38 -36.073 33.885 -2.187 1.00 0.00 C ATOM 588 O LEU A 38 -36.810 34.753 -2.655 1.00 0.00 O ATOM 589 CB LEU A 38 -35.200 32.144 -3.755 1.00 0.00 C ATOM 590 CG LEU A 38 -34.518 32.001 -5.116 1.00 0.00 C ATOM 591 CD1 LEU A 38 -33.097 32.540 -5.061 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.521 30.546 -5.564 1.00 0.00 C ATOM 0 H LEU A 38 -33.462 32.152 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.544 34.187 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -34.947 31.273 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.279 32.124 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.079 32.586 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -32.628 32.430 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -33.118 33.594 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -32.525 31.983 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -34.032 30.463 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.985 29.939 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -35.549 30.192 -5.645 1.00 0.00 H new ATOM 604 N GLU A 39 -36.282 33.320 -1.002 1.00 0.00 N ATOM 605 CA GLU A 39 -37.416 33.695 -0.166 1.00 0.00 C ATOM 606 C GLU A 39 -37.045 34.843 0.770 1.00 0.00 C ATOM 607 O GLU A 39 -37.889 35.666 1.125 1.00 0.00 O ATOM 608 CB GLU A 39 -37.897 32.493 0.650 1.00 0.00 C ATOM 609 CG GLU A 39 -36.988 32.147 1.817 1.00 0.00 C ATOM 610 CD GLU A 39 -37.319 32.938 3.068 1.00 0.00 C ATOM 611 OE1 GLU A 39 -38.502 33.291 3.252 1.00 0.00 O ATOM 612 OE2 GLU A 39 -36.393 33.203 3.864 1.00 0.00 O ATOM 0 H GLU A 39 -35.681 32.601 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.222 34.027 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -38.898 32.699 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.977 31.627 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -37.069 31.082 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -35.952 32.337 1.535 1.00 0.00 H new ATOM 619 N LYS A 40 -35.778 34.890 1.165 1.00 0.00 N ATOM 620 CA LYS A 40 -35.293 35.936 2.059 1.00 0.00 C ATOM 621 C LYS A 40 -35.134 37.257 1.314 1.00 0.00 C ATOM 622 O LYS A 40 -35.576 38.304 1.787 1.00 0.00 O ATOM 623 CB LYS A 40 -33.957 35.525 2.680 1.00 0.00 C ATOM 624 CG LYS A 40 -33.332 36.604 3.548 1.00 0.00 C ATOM 625 CD LYS A 40 -32.916 36.058 4.904 1.00 0.00 C ATOM 626 CE LYS A 40 -32.376 37.157 5.805 1.00 0.00 C ATOM 627 NZ LYS A 40 -33.466 38.010 6.354 1.00 0.00 N ATOM 0 H LYS A 40 -35.067 34.216 0.880 1.00 0.00 H new ATOM 0 HA LYS A 40 -36.029 36.072 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -34.106 34.628 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.261 35.263 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.462 37.022 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -34.043 37.419 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.771 35.581 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.155 35.289 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.816 36.711 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.678 37.777 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -33.060 38.726 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -33.964 38.483 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -34.137 37.418 6.884 1.00 0.00 H new ATOM 641 N ALA A 41 -34.503 37.201 0.146 1.00 0.00 N ATOM 642 CA ALA A 41 -34.289 38.393 -0.666 1.00 0.00 C ATOM 643 C ALA A 41 -35.606 38.914 -1.232 1.00 0.00 C ATOM 644 O ALA A 41 -35.948 40.085 -1.059 1.00 0.00 O ATOM 645 CB ALA A 41 -33.309 38.097 -1.791 1.00 0.00 C ATOM 0 H ALA A 41 -34.131 36.342 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.866 39.168 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.159 38.996 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.356 37.779 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.709 37.304 -2.423 1.00 0.00 H new ATOM 651 N LYS A 42 -36.341 38.039 -1.909 1.00 0.00 N ATOM 652 CA LYS A 42 -37.621 38.411 -2.501 1.00 0.00 C ATOM 653 C LYS A 42 -38.537 39.046 -1.461 1.00 0.00 C ATOM 654 O LYS A 42 -39.358 39.903 -1.786 1.00 0.00 O ATOM 655 CB LYS A 42 -38.299 37.182 -3.112 1.00 0.00 C ATOM 656 CG LYS A 42 -39.690 37.462 -3.654 1.00 0.00 C ATOM 657 CD LYS A 42 -40.758 36.745 -2.845 1.00 0.00 C ATOM 658 CE LYS A 42 -40.871 35.281 -3.245 1.00 0.00 C ATOM 659 NZ LYS A 42 -42.091 34.644 -2.677 1.00 0.00 N ATOM 0 H LYS A 42 -36.073 37.067 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.432 39.142 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -37.675 36.796 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.363 36.399 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -39.879 38.535 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.747 37.145 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.521 36.816 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.719 37.238 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -40.893 35.202 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.987 34.742 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -42.132 33.648 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -42.059 34.697 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -42.936 35.142 -3.023 1.00 0.00 H new ATOM 673 N GLU A 43 -38.390 38.621 -0.210 1.00 0.00 N ATOM 674 CA GLU A 43 -39.205 39.150 0.877 1.00 0.00 C ATOM 675 C GLU A 43 -38.608 40.443 1.426 1.00 0.00 C ATOM 676 O GLU A 43 -39.223 41.506 1.345 1.00 0.00 O ATOM 677 CB GLU A 43 -39.331 38.118 1.999 1.00 0.00 C ATOM 678 CG GLU A 43 -40.360 37.035 1.717 1.00 0.00 C ATOM 679 CD GLU A 43 -40.334 35.924 2.748 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.363 35.863 3.531 1.00 0.00 O ATOM 681 OE2 GLU A 43 -41.285 35.114 2.772 1.00 0.00 O ATOM 0 H GLU A 43 -37.714 37.912 0.076 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.196 39.368 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -38.360 37.651 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -39.598 38.630 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -41.354 37.481 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.177 36.613 0.729 1.00 0.00 H new ATOM 688 N GLU A 44 -37.405 40.342 1.984 1.00 0.00 N ATOM 689 CA GLU A 44 -36.726 41.503 2.547 1.00 0.00 C ATOM 690 C GLU A 44 -36.715 42.662 1.554 1.00 0.00 C ATOM 691 O GLU A 44 -36.797 43.826 1.943 1.00 0.00 O ATOM 692 CB GLU A 44 -35.292 41.141 2.940 1.00 0.00 C ATOM 693 CG GLU A 44 -34.345 41.032 1.756 1.00 0.00 C ATOM 694 CD GLU A 44 -33.099 40.231 2.078 1.00 0.00 C ATOM 695 OE1 GLU A 44 -33.028 39.665 3.189 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.194 40.169 1.219 1.00 0.00 O ATOM 0 H GLU A 44 -36.882 39.470 2.058 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.272 41.815 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.912 41.894 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.300 40.192 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.866 40.565 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.056 42.032 1.433 1.00 0.00 H new ATOM 703 N ALA A 45 -36.614 42.333 0.271 1.00 0.00 N ATOM 704 CA ALA A 45 -36.594 43.345 -0.778 1.00 0.00 C ATOM 705 C ALA A 45 -37.940 44.055 -0.881 1.00 0.00 C ATOM 706 O ALA A 45 -38.030 45.265 -0.680 1.00 0.00 O ATOM 707 CB ALA A 45 -36.223 42.715 -2.112 1.00 0.00 C ATOM 0 H ALA A 45 -36.545 41.373 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.840 44.088 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.212 43.482 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.235 42.260 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.956 41.950 -2.370 1.00 0.00 H new ATOM 713 N GLU A 46 -38.983 43.293 -1.197 1.00 0.00 N ATOM 714 CA GLU A 46 -40.324 43.850 -1.329 1.00 0.00 C ATOM 715 C GLU A 46 -40.756 44.537 -0.037 1.00 0.00 C ATOM 716 O GLU A 46 -41.521 45.502 -0.059 1.00 0.00 O ATOM 717 CB GLU A 46 -41.324 42.752 -1.695 1.00 0.00 C ATOM 718 CG GLU A 46 -41.576 41.760 -0.572 1.00 0.00 C ATOM 719 CD GLU A 46 -42.710 40.802 -0.883 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.382 40.996 -1.917 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.925 39.860 -0.092 1.00 0.00 O ATOM 0 H GLU A 46 -38.925 42.289 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.304 44.592 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.270 43.214 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -40.956 42.214 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.666 41.191 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.806 42.304 0.344 1.00 0.00 H new ATOM 728 N LYS A 47 -40.261 44.034 1.089 1.00 0.00 N ATOM 729 CA LYS A 47 -40.594 44.597 2.392 1.00 0.00 C ATOM 730 C LYS A 47 -39.855 45.912 2.621 1.00 0.00 C ATOM 731 O LYS A 47 -40.466 46.928 2.953 1.00 0.00 O ATOM 732 CB LYS A 47 -40.248 43.604 3.503 1.00 0.00 C ATOM 733 CG LYS A 47 -41.359 42.614 3.803 1.00 0.00 C ATOM 734 CD LYS A 47 -40.831 41.382 4.519 1.00 0.00 C ATOM 735 CE LYS A 47 -40.252 41.735 5.881 1.00 0.00 C ATOM 736 NZ LYS A 47 -39.739 40.533 6.594 1.00 0.00 N ATOM 0 H LYS A 47 -39.627 43.236 1.125 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.666 44.795 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.350 43.055 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.011 44.157 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -42.120 43.095 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -41.843 42.316 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -41.636 40.658 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -40.064 40.906 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -39.444 42.456 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -41.019 42.217 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -39.353 40.816 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -40.515 39.856 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -38.990 40.087 6.027 1.00 0.00 H new ATOM 750 N ARG A 48 -38.539 45.885 2.440 1.00 0.00 N ATOM 751 CA ARG A 48 -37.718 47.074 2.627 1.00 0.00 C ATOM 752 C ARG A 48 -37.833 47.596 4.056 1.00 0.00 C ATOM 753 O ARG A 48 -37.660 48.788 4.310 1.00 0.00 O ATOM 754 CB ARG A 48 -38.132 48.167 1.639 1.00 0.00 C ATOM 755 CG ARG A 48 -36.974 48.728 0.831 1.00 0.00 C ATOM 756 CD ARG A 48 -37.199 48.550 -0.663 1.00 0.00 C ATOM 757 NE ARG A 48 -36.604 49.635 -1.439 1.00 0.00 N ATOM 758 CZ ARG A 48 -35.305 49.720 -1.706 1.00 0.00 C ATOM 759 NH1 ARG A 48 -34.471 48.790 -1.263 1.00 0.00 N ATOM 760 NH2 ARG A 48 -34.839 50.738 -2.419 1.00 0.00 N ATOM 0 H ARG A 48 -38.019 45.052 2.164 1.00 0.00 H new ATOM 0 HA ARG A 48 -36.680 46.800 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -38.879 47.763 0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -38.608 48.979 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -36.850 49.787 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -36.050 48.229 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -36.773 47.599 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -38.269 48.504 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 48 -37.219 50.367 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -34.826 48.006 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -33.475 48.858 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -35.478 51.455 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -33.842 50.803 -2.624 1.00 0.00 H new ATOM 774 N LYS A 49 -38.128 46.695 4.987 1.00 0.00 N ATOM 775 CA LYS A 49 -38.267 47.062 6.392 1.00 0.00 C ATOM 776 C LYS A 49 -39.207 48.252 6.552 1.00 0.00 C ATOM 777 O LYS A 49 -39.892 48.646 5.609 1.00 0.00 O ATOM 778 CB LYS A 49 -36.898 47.395 6.991 1.00 0.00 C ATOM 779 CG LYS A 49 -36.575 46.603 8.246 1.00 0.00 C ATOM 780 CD LYS A 49 -35.127 46.792 8.667 1.00 0.00 C ATOM 781 CE LYS A 49 -34.402 45.459 8.780 1.00 0.00 C ATOM 782 NZ LYS A 49 -33.131 45.583 9.546 1.00 0.00 N ATOM 0 H LYS A 49 -38.276 45.704 4.794 1.00 0.00 H new ATOM 0 HA LYS A 49 -38.692 46.211 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -36.128 47.205 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -36.862 48.459 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -37.234 46.917 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -36.769 45.545 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -34.616 47.425 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -35.090 47.310 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -35.051 44.733 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -34.189 45.076 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -32.667 44.654 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -32.501 46.257 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -33.336 45.925 10.507 1.00 0.00 H new ATOM 796 N ALA A 50 -39.233 48.822 7.753 1.00 0.00 N ATOM 797 CA ALA A 50 -40.087 49.969 8.035 1.00 0.00 C ATOM 798 C ALA A 50 -39.679 51.177 7.199 1.00 0.00 C ATOM 799 O ALA A 50 -38.822 51.073 6.321 1.00 0.00 O ATOM 800 CB ALA A 50 -40.038 50.311 9.517 1.00 0.00 C ATOM 0 H ALA A 50 -38.673 48.508 8.545 1.00 0.00 H new ATOM 0 HA ALA A 50 -41.110 49.703 7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -40.680 51.169 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -40.385 49.457 10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -39.014 50.552 9.801 1.00 0.00 H new ATOM 806 N GLU A 51 -40.297 52.320 7.476 1.00 0.00 N ATOM 807 CA GLU A 51 -39.998 53.547 6.747 1.00 0.00 C ATOM 808 C GLU A 51 -38.508 53.870 6.814 1.00 0.00 C ATOM 809 O GLU A 51 -37.951 54.471 5.895 1.00 0.00 O ATOM 810 CB GLU A 51 -40.810 54.714 7.312 1.00 0.00 C ATOM 811 CG GLU A 51 -40.758 54.815 8.827 1.00 0.00 C ATOM 812 CD GLU A 51 -40.944 56.236 9.323 1.00 0.00 C ATOM 813 OE1 GLU A 51 -39.991 57.034 9.211 1.00 0.00 O ATOM 814 OE2 GLU A 51 -42.045 56.549 9.824 1.00 0.00 O ATOM 0 H GLU A 51 -41.008 52.422 8.200 1.00 0.00 H new ATOM 0 HA GLU A 51 -40.273 53.395 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -40.441 55.645 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -41.849 54.608 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -41.533 54.180 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -39.800 54.433 9.180 1.00 0.00 H new ATOM 821 N ILE A 52 -37.871 53.468 7.908 1.00 0.00 N ATOM 822 CA ILE A 52 -36.446 53.714 8.096 1.00 0.00 C ATOM 823 C ILE A 52 -35.709 52.429 8.457 1.00 0.00 C ATOM 824 O ILE A 52 -34.994 51.858 7.633 1.00 0.00 O ATOM 825 CB ILE A 52 -36.196 54.762 9.196 1.00 0.00 C ATOM 826 CG1 ILE A 52 -36.943 56.059 8.876 1.00 0.00 C ATOM 827 CG2 ILE A 52 -34.705 55.027 9.347 1.00 0.00 C ATOM 828 CD1 ILE A 52 -36.522 56.690 7.567 1.00 0.00 C ATOM 0 H ILE A 52 -38.319 52.971 8.678 1.00 0.00 H new ATOM 0 HA ILE A 52 -36.064 54.095 7.149 1.00 0.00 H new ATOM 0 HB ILE A 52 -36.573 54.371 10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -38.013 55.854 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -36.779 56.772 9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -34.545 55.770 10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -34.196 54.101 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -34.304 55.400 8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -37.092 57.605 7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -35.459 56.926 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -36.712 55.994 6.750 1.00 0.00 H new TER 840 ILE A 52