USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 174:sc= -0.196 (180deg=-0.462) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 3 TYR OH : rot -90:sc= 1.18 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= -0.172 USER MOD Single : X 13 LYS NZ :NH3+ -113:sc= -2.42! (180deg=-5.39!) USER MOD Single : X 16 THR OG1 : rot 180:sc= 0 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot -22:sc= 0.318 USER MOD Single : X 28 LYS NZ :NH3+ 144:sc= -0.109 (180deg=-0.979) USER MOD Single : X 31 LYS NZ :NH3+ -158:sc= -0.012 (180deg=-0.129) USER MOD Single : X 32 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.018) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -2.01! K(o=-2!,f=-0.13) USER MOD Single : X 37 ASN : amide:sc= -0.176 K(o=-0.18,f=-3!) USER MOD Single : X 44 THR OG1 : rot -99:sc= -0.431 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.1) USER MOD Single : X 51 THR OG1 : rot 81:sc= 1.04 USER MOD Single : X 53 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -13.834 7.494 15.462 1.00 0.00 N ATOM 2 CA MET X 1 -13.880 8.983 15.494 1.00 0.00 C ATOM 3 C MET X 1 -14.585 9.490 14.239 1.00 0.00 C ATOM 4 O MET X 1 -15.694 10.017 14.310 1.00 0.00 O ATOM 5 CB MET X 1 -12.455 9.533 15.555 1.00 0.00 C ATOM 6 CG MET X 1 -12.184 10.100 16.951 1.00 0.00 C ATOM 7 SD MET X 1 -13.312 11.478 17.273 1.00 0.00 S ATOM 8 CE MET X 1 -12.645 11.940 18.890 1.00 0.00 C ATOM 0 H1 MET X 1 -13.267 7.147 16.262 1.00 0.00 H new ATOM 0 H2 MET X 1 -14.800 7.115 15.532 1.00 0.00 H new ATOM 0 H3 MET X 1 -13.403 7.179 14.570 1.00 0.00 H new ATOM 0 HA MET X 1 -14.428 9.319 16.374 1.00 0.00 H new ATOM 0 HB2 MET X 1 -11.739 8.743 15.327 1.00 0.00 H new ATOM 0 HB3 MET X 1 -12.322 10.311 14.803 1.00 0.00 H new ATOM 0 HG2 MET X 1 -12.319 9.323 17.703 1.00 0.00 H new ATOM 0 HG3 MET X 1 -11.150 10.438 17.023 1.00 0.00 H new ATOM 0 HE1 MET X 1 -13.203 12.789 19.285 1.00 0.00 H new ATOM 0 HE2 MET X 1 -12.734 11.097 19.575 1.00 0.00 H new ATOM 0 HE3 MET X 1 -11.595 12.213 18.786 1.00 0.00 H new ATOM 20 N GLN X 2 -13.936 9.321 13.092 1.00 0.00 N ATOM 21 CA GLN X 2 -14.515 9.758 11.826 1.00 0.00 C ATOM 22 C GLN X 2 -14.538 8.607 10.827 1.00 0.00 C ATOM 23 O GLN X 2 -13.529 7.935 10.619 1.00 0.00 O ATOM 24 CB GLN X 2 -13.708 10.921 11.243 1.00 0.00 C ATOM 25 CG GLN X 2 -14.161 11.173 9.803 1.00 0.00 C ATOM 26 CD GLN X 2 -13.638 12.520 9.312 1.00 0.00 C ATOM 27 OE1 GLN X 2 -14.009 13.565 9.847 1.00 0.00 O ATOM 28 NE2 GLN X 2 -12.797 12.558 8.314 1.00 0.00 N ATOM 0 H GLN X 2 -13.016 8.888 13.012 1.00 0.00 H new ATOM 0 HA GLN X 2 -15.536 10.089 12.015 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -13.853 11.818 11.845 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -12.643 10.689 11.267 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -13.797 10.376 9.155 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -15.250 11.156 9.749 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -12.491 11.691 7.872 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -12.446 13.454 7.976 1.00 0.00 H new ATOM 37 N TYR X 3 -15.694 8.386 10.213 1.00 0.00 N ATOM 38 CA TYR X 3 -15.835 7.312 9.237 1.00 0.00 C ATOM 39 C TYR X 3 -16.771 7.737 8.110 1.00 0.00 C ATOM 40 O TYR X 3 -17.539 8.690 8.253 1.00 0.00 O ATOM 41 CB TYR X 3 -16.387 6.056 9.920 1.00 0.00 C ATOM 42 CG TYR X 3 -15.461 4.888 9.670 1.00 0.00 C ATOM 43 CD1 TYR X 3 -14.175 4.883 10.222 1.00 0.00 C ATOM 44 CD2 TYR X 3 -15.893 3.809 8.889 1.00 0.00 C ATOM 45 CE1 TYR X 3 -13.320 3.797 9.993 1.00 0.00 C ATOM 46 CE2 TYR X 3 -15.037 2.723 8.661 1.00 0.00 C ATOM 47 CZ TYR X 3 -13.751 2.718 9.213 1.00 0.00 C ATOM 48 OH TYR X 3 -12.908 1.649 8.988 1.00 0.00 O ATOM 0 H TYR X 3 -16.541 8.931 10.372 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.854 7.093 8.816 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -16.488 6.228 10.991 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -17.383 5.831 9.538 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -13.842 5.716 10.824 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -16.885 3.814 8.463 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -12.327 3.793 10.419 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -15.370 1.890 8.059 1.00 0.00 H new ATOM 0 HH TYR X 3 -12.378 1.815 8.181 1.00 0.00 H new ATOM 58 N LYS X 4 -16.703 7.025 6.990 1.00 0.00 N ATOM 59 CA LYS X 4 -17.550 7.335 5.843 1.00 0.00 C ATOM 60 C LYS X 4 -18.238 6.074 5.335 1.00 0.00 C ATOM 61 O LYS X 4 -17.660 4.988 5.359 1.00 0.00 O ATOM 62 CB LYS X 4 -16.719 7.951 4.713 1.00 0.00 C ATOM 63 CG LYS X 4 -16.682 9.478 4.855 1.00 0.00 C ATOM 64 CD LYS X 4 -16.365 10.107 3.496 1.00 0.00 C ATOM 65 CE LYS X 4 -16.635 11.612 3.552 1.00 0.00 C ATOM 66 NZ LYS X 4 -17.520 12.002 2.417 1.00 0.00 N ATOM 0 H LYS X 4 -16.074 6.234 6.852 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.305 8.053 6.164 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.705 7.551 4.738 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -17.146 7.678 3.748 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -17.641 9.843 5.223 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -15.928 9.768 5.587 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -15.323 9.924 3.233 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -16.975 9.646 2.719 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -17.106 11.873 4.500 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -15.696 12.163 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -17.703 13.025 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -17.054 11.767 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -18.420 11.486 2.486 1.00 0.00 H new ATOM 80 N LEU X 5 -19.476 6.227 4.880 1.00 0.00 N ATOM 81 CA LEU X 5 -20.234 5.093 4.372 1.00 0.00 C ATOM 82 C LEU X 5 -20.567 5.288 2.897 1.00 0.00 C ATOM 83 O LEU X 5 -21.446 6.076 2.548 1.00 0.00 O ATOM 84 CB LEU X 5 -21.530 4.941 5.174 1.00 0.00 C ATOM 85 CG LEU X 5 -21.677 3.497 5.651 1.00 0.00 C ATOM 86 CD1 LEU X 5 -20.692 3.233 6.792 1.00 0.00 C ATOM 87 CD2 LEU X 5 -23.105 3.270 6.152 1.00 0.00 C ATOM 0 H LEU X 5 -19.972 7.118 4.853 1.00 0.00 H new ATOM 0 HA LEU X 5 -19.628 4.193 4.478 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.521 5.617 6.029 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -22.385 5.219 4.557 1.00 0.00 H new ATOM 0 HG LEU X 5 -21.467 2.819 4.824 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -20.797 2.203 7.132 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -19.674 3.397 6.439 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -20.903 3.911 7.619 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -23.212 2.240 6.493 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -23.313 3.949 6.979 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -23.809 3.459 5.342 1.00 0.00 H new ATOM 99 N ILE X 6 -19.864 4.562 2.034 1.00 0.00 N ATOM 100 CA ILE X 6 -20.105 4.665 0.599 1.00 0.00 C ATOM 101 C ILE X 6 -20.934 3.481 0.114 1.00 0.00 C ATOM 102 O ILE X 6 -20.542 2.327 0.269 1.00 0.00 O ATOM 103 CB ILE X 6 -18.778 4.706 -0.159 1.00 0.00 C ATOM 104 CG1 ILE X 6 -17.726 5.416 0.696 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.965 5.470 -1.472 1.00 0.00 C ATOM 106 CD1 ILE X 6 -18.229 6.812 1.065 1.00 0.00 C ATOM 0 H ILE X 6 -19.131 3.903 2.298 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.655 5.587 0.408 1.00 0.00 H new ATOM 0 HB ILE X 6 -18.449 3.689 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -17.526 4.839 1.599 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -16.786 5.489 0.149 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -18.019 5.500 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -19.716 4.968 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.293 6.487 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -17.481 7.319 1.674 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -18.407 7.387 0.156 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -19.158 6.727 1.628 1.00 0.00 H new ATOM 118 N LEU X 7 -22.084 3.772 -0.479 1.00 0.00 N ATOM 119 CA LEU X 7 -22.952 2.722 -0.985 1.00 0.00 C ATOM 120 C LEU X 7 -23.006 2.780 -2.504 1.00 0.00 C ATOM 121 O LEU X 7 -23.619 3.680 -3.078 1.00 0.00 O ATOM 122 CB LEU X 7 -24.362 2.883 -0.409 1.00 0.00 C ATOM 123 CG LEU X 7 -24.271 3.335 1.050 1.00 0.00 C ATOM 124 CD1 LEU X 7 -24.434 4.854 1.127 1.00 0.00 C ATOM 125 CD2 LEU X 7 -25.382 2.663 1.863 1.00 0.00 C ATOM 0 H LEU X 7 -22.434 4.720 -0.620 1.00 0.00 H new ATOM 0 HA LEU X 7 -22.551 1.756 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -24.923 3.613 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -24.903 1.939 -0.475 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.300 3.053 1.456 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -24.369 5.175 2.167 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -23.645 5.334 0.549 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -25.405 5.137 0.720 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -25.318 2.985 2.902 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -26.353 2.945 1.455 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -25.267 1.580 1.810 1.00 0.00 H new ATOM 137 N ASN X 8 -22.362 1.818 -3.151 1.00 0.00 N ATOM 138 CA ASN X 8 -22.348 1.782 -4.605 1.00 0.00 C ATOM 139 C ASN X 8 -23.336 0.743 -5.115 1.00 0.00 C ATOM 140 O ASN X 8 -23.161 -0.456 -4.898 1.00 0.00 O ATOM 141 CB ASN X 8 -20.942 1.446 -5.108 1.00 0.00 C ATOM 142 CG ASN X 8 -20.311 2.674 -5.754 1.00 0.00 C ATOM 143 OD1 ASN X 8 -19.949 3.625 -5.061 1.00 0.00 O ATOM 144 ND2 ASN X 8 -20.157 2.711 -7.050 1.00 0.00 N ATOM 0 H ASN X 8 -21.849 1.062 -2.698 1.00 0.00 H new ATOM 0 HA ASN X 8 -22.638 2.763 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -20.323 1.103 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -20.990 0.630 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -19.736 3.529 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -20.458 1.922 -7.622 1.00 0.00 H new ATOM 151 N GLY X 9 -24.369 1.212 -5.801 1.00 0.00 N ATOM 152 CA GLY X 9 -25.378 0.315 -6.349 1.00 0.00 C ATOM 153 C GLY X 9 -25.011 -0.089 -7.771 1.00 0.00 C ATOM 154 O GLY X 9 -25.867 -0.146 -8.653 1.00 0.00 O ATOM 0 H GLY X 9 -24.530 2.201 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -25.464 -0.573 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.352 0.805 -6.343 1.00 0.00 H new ATOM 158 N LYS X 10 -23.727 -0.353 -7.984 1.00 0.00 N ATOM 159 CA LYS X 10 -23.246 -0.735 -9.303 1.00 0.00 C ATOM 160 C LYS X 10 -23.279 0.470 -10.233 1.00 0.00 C ATOM 161 O LYS X 10 -22.255 0.875 -10.783 1.00 0.00 O ATOM 162 CB LYS X 10 -24.119 -1.854 -9.878 1.00 0.00 C ATOM 163 CG LYS X 10 -23.321 -2.644 -10.917 1.00 0.00 C ATOM 164 CD LYS X 10 -24.282 -3.460 -11.785 1.00 0.00 C ATOM 165 CE LYS X 10 -23.605 -4.767 -12.203 1.00 0.00 C ATOM 166 NZ LYS X 10 -24.568 -5.604 -12.974 1.00 0.00 N ATOM 0 H LYS X 10 -23.006 -0.310 -7.264 1.00 0.00 H new ATOM 0 HA LYS X 10 -22.221 -1.094 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -24.451 -2.517 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -25.014 -1.432 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -22.740 -1.963 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -22.611 -3.306 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -25.197 -3.672 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -24.568 -2.887 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -22.725 -4.555 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -23.261 -5.308 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -24.107 -6.492 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -25.395 -5.818 -12.381 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -24.875 -5.087 -13.823 1.00 0.00 H new ATOM 180 N THR X 11 -24.465 1.041 -10.396 1.00 0.00 N ATOM 181 CA THR X 11 -24.635 2.207 -11.254 1.00 0.00 C ATOM 182 C THR X 11 -24.990 3.440 -10.427 1.00 0.00 C ATOM 183 O THR X 11 -25.216 4.521 -10.973 1.00 0.00 O ATOM 184 CB THR X 11 -25.739 1.940 -12.281 1.00 0.00 C ATOM 185 OG1 THR X 11 -26.990 1.843 -11.616 1.00 0.00 O ATOM 186 CG2 THR X 11 -25.446 0.632 -13.017 1.00 0.00 C ATOM 0 H THR X 11 -25.322 0.717 -9.947 1.00 0.00 H new ATOM 0 HA THR X 11 -23.694 2.394 -11.771 1.00 0.00 H new ATOM 0 HB THR X 11 -25.774 2.759 -13.000 1.00 0.00 H new ATOM 0 HG1 THR X 11 -27.697 1.674 -12.273 1.00 0.00 H new ATOM 0 HG21 THR X 11 -26.232 0.442 -13.748 1.00 0.00 H new ATOM 0 HG22 THR X 11 -24.486 0.709 -13.528 1.00 0.00 H new ATOM 0 HG23 THR X 11 -25.411 -0.189 -12.300 1.00 0.00 H new ATOM 194 N LEU X 12 -25.045 3.273 -9.108 1.00 0.00 N ATOM 195 CA LEU X 12 -25.383 4.384 -8.222 1.00 0.00 C ATOM 196 C LEU X 12 -24.309 4.580 -7.155 1.00 0.00 C ATOM 197 O LEU X 12 -23.636 3.630 -6.753 1.00 0.00 O ATOM 198 CB LEU X 12 -26.728 4.119 -7.543 1.00 0.00 C ATOM 199 CG LEU X 12 -27.857 4.715 -8.387 1.00 0.00 C ATOM 200 CD1 LEU X 12 -28.045 3.877 -9.653 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.157 4.713 -7.575 1.00 0.00 C ATOM 0 H LEU X 12 -24.862 2.389 -8.633 1.00 0.00 H new ATOM 0 HA LEU X 12 -25.446 5.290 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -26.880 3.047 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -26.736 4.558 -6.545 1.00 0.00 H new ATOM 0 HG LEU X 12 -27.603 5.738 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.849 4.301 -10.254 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.121 3.878 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -28.299 2.854 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -29.962 5.137 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -29.412 3.690 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.024 5.310 -6.673 1.00 0.00 H new ATOM 213 N LYS X 13 -24.162 5.819 -6.700 1.00 0.00 N ATOM 214 CA LYS X 13 -23.175 6.139 -5.676 1.00 0.00 C ATOM 215 C LYS X 13 -23.742 7.164 -4.699 1.00 0.00 C ATOM 216 O LYS X 13 -24.633 7.938 -5.049 1.00 0.00 O ATOM 217 CB LYS X 13 -21.907 6.694 -6.325 1.00 0.00 C ATOM 218 CG LYS X 13 -21.423 5.728 -7.408 1.00 0.00 C ATOM 219 CD LYS X 13 -20.073 6.204 -7.951 1.00 0.00 C ATOM 220 CE LYS X 13 -20.275 7.476 -8.777 1.00 0.00 C ATOM 221 NZ LYS X 13 -20.385 8.648 -7.864 1.00 0.00 N ATOM 0 H LYS X 13 -24.711 6.616 -7.023 1.00 0.00 H new ATOM 0 HA LYS X 13 -22.930 5.227 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -22.107 7.673 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -21.131 6.832 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -21.328 4.723 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -22.153 5.675 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -19.386 6.398 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -19.622 5.426 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -19.440 7.613 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -21.176 7.389 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -21.348 9.037 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -20.181 8.349 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -19.702 9.378 -8.152 1.00 0.00 H new ATOM 235 N GLY X 14 -23.224 7.165 -3.477 1.00 0.00 N ATOM 236 CA GLY X 14 -23.695 8.103 -2.465 1.00 0.00 C ATOM 237 C GLY X 14 -22.609 8.389 -1.434 1.00 0.00 C ATOM 238 O GLY X 14 -21.606 7.681 -1.358 1.00 0.00 O ATOM 0 H GLY X 14 -22.486 6.534 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -24.002 9.034 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.575 7.695 -1.967 1.00 0.00 H new ATOM 242 N GLU X 15 -22.822 9.435 -0.642 1.00 0.00 N ATOM 243 CA GLU X 15 -21.861 9.813 0.389 1.00 0.00 C ATOM 244 C GLU X 15 -22.586 10.259 1.655 1.00 0.00 C ATOM 245 O GLU X 15 -23.601 10.951 1.588 1.00 0.00 O ATOM 246 CB GLU X 15 -20.965 10.945 -0.118 1.00 0.00 C ATOM 247 CG GLU X 15 -21.834 12.104 -0.610 1.00 0.00 C ATOM 248 CD GLU X 15 -21.942 12.066 -2.131 1.00 0.00 C ATOM 249 OE1 GLU X 15 -22.169 10.992 -2.662 1.00 0.00 O ATOM 250 OE2 GLU X 15 -21.795 13.111 -2.742 1.00 0.00 O ATOM 0 H GLU X 15 -23.647 10.033 -0.693 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.245 8.945 0.623 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -20.305 11.285 0.680 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -20.329 10.585 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -22.827 12.039 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -21.403 13.053 -0.291 1.00 0.00 H new ATOM 257 N THR X 16 -22.060 9.855 2.807 1.00 0.00 N ATOM 258 CA THR X 16 -22.670 10.216 4.083 1.00 0.00 C ATOM 259 C THR X 16 -21.597 10.440 5.147 1.00 0.00 C ATOM 260 O THR X 16 -20.408 10.252 4.891 1.00 0.00 O ATOM 261 CB THR X 16 -23.622 9.108 4.538 1.00 0.00 C ATOM 262 OG1 THR X 16 -23.231 7.877 3.946 1.00 0.00 O ATOM 263 CG2 THR X 16 -25.051 9.452 4.110 1.00 0.00 C ATOM 0 H THR X 16 -21.220 9.282 2.884 1.00 0.00 H new ATOM 0 HA THR X 16 -23.229 11.142 3.949 1.00 0.00 H new ATOM 0 HB THR X 16 -23.583 9.018 5.624 1.00 0.00 H new ATOM 0 HG1 THR X 16 -23.839 7.166 4.238 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.728 8.662 4.435 1.00 0.00 H new ATOM 0 HG22 THR X 16 -25.350 10.396 4.565 1.00 0.00 H new ATOM 0 HG23 THR X 16 -25.094 9.543 3.025 1.00 0.00 H new ATOM 271 N THR X 17 -22.028 10.843 6.338 1.00 0.00 N ATOM 272 CA THR X 17 -21.095 11.090 7.435 1.00 0.00 C ATOM 273 C THR X 17 -21.456 10.233 8.644 1.00 0.00 C ATOM 274 O THR X 17 -22.630 10.081 8.984 1.00 0.00 O ATOM 275 CB THR X 17 -21.126 12.569 7.825 1.00 0.00 C ATOM 276 OG1 THR X 17 -22.437 13.081 7.633 1.00 0.00 O ATOM 277 CG2 THR X 17 -20.137 13.351 6.957 1.00 0.00 C ATOM 0 H THR X 17 -23.008 11.005 6.569 1.00 0.00 H new ATOM 0 HA THR X 17 -20.091 10.826 7.102 1.00 0.00 H new ATOM 0 HB THR X 17 -20.845 12.673 8.873 1.00 0.00 H new ATOM 0 HG1 THR X 17 -22.458 14.028 7.884 1.00 0.00 H new ATOM 0 HG21 THR X 17 -20.161 14.404 7.237 1.00 0.00 H new ATOM 0 HG22 THR X 17 -19.131 12.958 7.108 1.00 0.00 H new ATOM 0 HG23 THR X 17 -20.413 13.248 5.908 1.00 0.00 H new ATOM 285 N THR X 18 -20.437 9.665 9.281 1.00 0.00 N ATOM 286 CA THR X 18 -20.649 8.811 10.444 1.00 0.00 C ATOM 287 C THR X 18 -19.406 8.789 11.329 1.00 0.00 C ATOM 288 O THR X 18 -18.291 9.015 10.855 1.00 0.00 O ATOM 289 CB THR X 18 -20.991 7.388 9.996 1.00 0.00 C ATOM 290 OG1 THR X 18 -21.517 6.661 11.098 1.00 0.00 O ATOM 291 CG2 THR X 18 -19.734 6.688 9.477 1.00 0.00 C ATOM 0 H THR X 18 -19.460 9.780 9.013 1.00 0.00 H new ATOM 0 HA THR X 18 -21.481 9.216 11.020 1.00 0.00 H new ATOM 0 HB THR X 18 -21.731 7.431 9.197 1.00 0.00 H new ATOM 0 HG1 THR X 18 -21.738 5.750 10.813 1.00 0.00 H new ATOM 0 HG21 THR X 18 -19.986 5.676 9.160 1.00 0.00 H new ATOM 0 HG22 THR X 18 -19.331 7.244 8.630 1.00 0.00 H new ATOM 0 HG23 THR X 18 -18.988 6.645 10.270 1.00 0.00 H new ATOM 299 N GLU X 19 -19.604 8.519 12.616 1.00 0.00 N ATOM 300 CA GLU X 19 -18.493 8.474 13.559 1.00 0.00 C ATOM 301 C GLU X 19 -18.151 7.026 13.893 1.00 0.00 C ATOM 302 O GLU X 19 -19.039 6.190 14.053 1.00 0.00 O ATOM 303 CB GLU X 19 -18.861 9.223 14.841 1.00 0.00 C ATOM 304 CG GLU X 19 -18.739 10.731 14.607 1.00 0.00 C ATOM 305 CD GLU X 19 -19.825 11.197 13.643 1.00 0.00 C ATOM 306 OE1 GLU X 19 -20.704 10.405 13.342 1.00 0.00 O ATOM 307 OE2 GLU X 19 -19.760 12.339 13.218 1.00 0.00 O ATOM 0 H GLU X 19 -20.518 8.329 13.027 1.00 0.00 H new ATOM 0 HA GLU X 19 -17.626 8.952 13.102 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -19.878 8.972 15.141 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -18.204 8.917 15.655 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -18.829 11.263 15.554 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.755 10.966 14.201 1.00 0.00 H new ATOM 314 N ALA X 20 -16.856 6.732 13.972 1.00 0.00 N ATOM 315 CA ALA X 20 -16.408 5.375 14.258 1.00 0.00 C ATOM 316 C ALA X 20 -16.150 5.178 15.749 1.00 0.00 C ATOM 317 O ALA X 20 -15.743 6.103 16.453 1.00 0.00 O ATOM 318 CB ALA X 20 -15.128 5.077 13.474 1.00 0.00 C ATOM 0 H ALA X 20 -16.105 7.410 13.843 1.00 0.00 H new ATOM 0 HA ALA X 20 -17.198 4.688 13.954 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -14.797 4.061 13.691 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -15.324 5.174 12.406 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -14.350 5.783 13.766 1.00 0.00 H new ATOM 324 N VAL X 21 -16.394 3.958 16.215 1.00 0.00 N ATOM 325 CA VAL X 21 -16.195 3.615 17.617 1.00 0.00 C ATOM 326 C VAL X 21 -16.522 2.140 17.839 1.00 0.00 C ATOM 327 O VAL X 21 -16.243 1.580 18.898 1.00 0.00 O ATOM 328 CB VAL X 21 -17.093 4.480 18.502 1.00 0.00 C ATOM 329 CG1 VAL X 21 -18.539 3.995 18.386 1.00 0.00 C ATOM 330 CG2 VAL X 21 -16.636 4.367 19.959 1.00 0.00 C ATOM 0 H VAL X 21 -16.732 3.187 15.638 1.00 0.00 H new ATOM 0 HA VAL X 21 -15.153 3.798 17.881 1.00 0.00 H new ATOM 0 HB VAL X 21 -17.028 5.519 18.179 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -19.181 4.610 19.016 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -18.867 4.072 17.349 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -18.601 2.956 18.710 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -17.276 4.984 20.590 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -16.701 3.328 20.281 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -15.605 4.709 20.044 1.00 0.00 H new ATOM 340 N ASP X 22 -17.116 1.525 16.819 1.00 0.00 N ATOM 341 CA ASP X 22 -17.489 0.115 16.881 1.00 0.00 C ATOM 342 C ASP X 22 -18.343 -0.252 15.668 1.00 0.00 C ATOM 343 O ASP X 22 -19.342 -0.962 15.788 1.00 0.00 O ATOM 344 CB ASP X 22 -18.274 -0.170 18.166 1.00 0.00 C ATOM 345 CG ASP X 22 -17.648 -1.345 18.911 1.00 0.00 C ATOM 346 OD1 ASP X 22 -16.439 -1.341 19.076 1.00 0.00 O ATOM 347 OD2 ASP X 22 -18.386 -2.233 19.304 1.00 0.00 O ATOM 0 H ASP X 22 -17.350 1.983 15.938 1.00 0.00 H new ATOM 0 HA ASP X 22 -16.580 -0.487 16.878 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -18.278 0.714 18.803 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -19.313 -0.394 17.925 1.00 0.00 H new ATOM 352 N ALA X 23 -17.946 0.250 14.502 1.00 0.00 N ATOM 353 CA ALA X 23 -18.682 -0.013 13.270 1.00 0.00 C ATOM 354 C ALA X 23 -18.864 -1.509 13.042 1.00 0.00 C ATOM 355 O ALA X 23 -19.794 -1.928 12.356 1.00 0.00 O ATOM 356 CB ALA X 23 -17.935 0.595 12.082 1.00 0.00 C ATOM 0 H ALA X 23 -17.122 0.839 14.385 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.668 0.443 13.363 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -18.488 0.396 11.164 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -17.842 1.672 12.223 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.942 0.151 12.011 1.00 0.00 H new ATOM 362 N ALA X 24 -17.971 -2.309 13.611 1.00 0.00 N ATOM 363 CA ALA X 24 -18.050 -3.756 13.448 1.00 0.00 C ATOM 364 C ALA X 24 -19.389 -4.282 13.951 1.00 0.00 C ATOM 365 O ALA X 24 -20.036 -5.094 13.289 1.00 0.00 O ATOM 366 CB ALA X 24 -16.913 -4.428 14.218 1.00 0.00 C ATOM 0 H ALA X 24 -17.191 -1.986 14.184 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.959 -3.989 12.387 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -16.977 -5.509 14.092 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -15.956 -4.075 13.835 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -16.994 -4.180 15.276 1.00 0.00 H new ATOM 372 N THR X 25 -19.802 -3.816 15.124 1.00 0.00 N ATOM 373 CA THR X 25 -21.068 -4.248 15.703 1.00 0.00 C ATOM 374 C THR X 25 -22.247 -3.574 15.003 1.00 0.00 C ATOM 375 O THR X 25 -23.235 -4.225 14.667 1.00 0.00 O ATOM 376 CB THR X 25 -21.099 -3.908 17.195 1.00 0.00 C ATOM 377 OG1 THR X 25 -20.810 -2.528 17.370 1.00 0.00 O ATOM 378 CG2 THR X 25 -20.056 -4.748 17.935 1.00 0.00 C ATOM 0 H THR X 25 -19.283 -3.144 15.689 1.00 0.00 H new ATOM 0 HA THR X 25 -21.154 -5.326 15.569 1.00 0.00 H new ATOM 0 HB THR X 25 -22.088 -4.127 17.597 1.00 0.00 H new ATOM 0 HG1 THR X 25 -20.327 -2.193 16.586 1.00 0.00 H new ATOM 0 HG21 THR X 25 -20.080 -4.504 18.997 1.00 0.00 H new ATOM 0 HG22 THR X 25 -20.279 -5.806 17.800 1.00 0.00 H new ATOM 0 HG23 THR X 25 -19.065 -4.532 17.535 1.00 0.00 H new ATOM 386 N ALA X 26 -22.138 -2.266 14.796 1.00 0.00 N ATOM 387 CA ALA X 26 -23.206 -1.509 14.149 1.00 0.00 C ATOM 388 C ALA X 26 -23.394 -1.940 12.695 1.00 0.00 C ATOM 389 O ALA X 26 -24.519 -1.993 12.200 1.00 0.00 O ATOM 390 CB ALA X 26 -22.887 -0.014 14.200 1.00 0.00 C ATOM 0 H ALA X 26 -21.326 -1.710 15.065 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.132 -1.710 14.688 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.687 0.546 13.716 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -22.799 0.304 15.239 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -21.947 0.175 13.682 1.00 0.00 H new ATOM 396 N GLU X 27 -22.292 -2.235 12.011 1.00 0.00 N ATOM 397 CA GLU X 27 -22.368 -2.645 10.611 1.00 0.00 C ATOM 398 C GLU X 27 -23.255 -3.874 10.445 1.00 0.00 C ATOM 399 O GLU X 27 -23.819 -4.100 9.375 1.00 0.00 O ATOM 400 CB GLU X 27 -20.970 -2.951 10.071 1.00 0.00 C ATOM 401 CG GLU X 27 -20.309 -1.653 9.602 1.00 0.00 C ATOM 402 CD GLU X 27 -21.096 -1.065 8.435 1.00 0.00 C ATOM 403 OE1 GLU X 27 -21.705 -1.833 7.710 1.00 0.00 O ATOM 404 OE2 GLU X 27 -21.079 0.147 8.285 1.00 0.00 O ATOM 0 H GLU X 27 -21.348 -2.199 12.396 1.00 0.00 H new ATOM 0 HA GLU X 27 -22.805 -1.821 10.047 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -20.364 -3.421 10.846 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -21.035 -3.658 9.244 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -20.269 -0.937 10.423 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -19.280 -1.847 9.298 1.00 0.00 H new ATOM 411 N LYS X 28 -23.378 -4.668 11.505 1.00 0.00 N ATOM 412 CA LYS X 28 -24.205 -5.867 11.439 1.00 0.00 C ATOM 413 C LYS X 28 -25.659 -5.487 11.192 1.00 0.00 C ATOM 414 O LYS X 28 -26.321 -6.050 10.320 1.00 0.00 O ATOM 415 CB LYS X 28 -24.096 -6.651 12.748 1.00 0.00 C ATOM 416 CG LYS X 28 -24.758 -8.021 12.579 1.00 0.00 C ATOM 417 CD LYS X 28 -24.608 -8.826 13.872 1.00 0.00 C ATOM 418 CE LYS X 28 -24.054 -10.214 13.548 1.00 0.00 C ATOM 419 NZ LYS X 28 -22.720 -10.076 12.896 1.00 0.00 N ATOM 0 H LYS X 28 -22.924 -4.507 12.404 1.00 0.00 H new ATOM 0 HA LYS X 28 -23.853 -6.490 10.617 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -23.049 -6.773 13.025 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -24.577 -6.100 13.556 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -25.813 -7.899 12.335 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -24.299 -8.558 11.749 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -23.940 -8.308 14.560 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -25.573 -8.915 14.371 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -23.966 -10.804 14.460 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -24.740 -10.746 12.889 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -22.101 -10.852 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -22.833 -10.114 11.863 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -22.295 -9.166 13.165 1.00 0.00 H new ATOM 433 N VAL X 29 -26.148 -4.519 11.960 1.00 0.00 N ATOM 434 CA VAL X 29 -27.521 -4.060 11.809 1.00 0.00 C ATOM 435 C VAL X 29 -27.686 -3.299 10.495 1.00 0.00 C ATOM 436 O VAL X 29 -28.686 -3.455 9.795 1.00 0.00 O ATOM 437 CB VAL X 29 -27.911 -3.171 12.999 1.00 0.00 C ATOM 438 CG1 VAL X 29 -26.931 -3.405 14.149 1.00 0.00 C ATOM 439 CG2 VAL X 29 -27.869 -1.693 12.597 1.00 0.00 C ATOM 0 H VAL X 29 -25.617 -4.041 12.688 1.00 0.00 H new ATOM 0 HA VAL X 29 -28.182 -4.926 11.788 1.00 0.00 H new ATOM 0 HB VAL X 29 -28.923 -3.426 13.312 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -27.206 -2.775 14.995 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -26.966 -4.452 14.450 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -25.921 -3.155 13.823 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -28.148 -1.076 13.451 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.861 -1.432 12.274 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -28.568 -1.518 11.779 1.00 0.00 H new ATOM 449 N PHE X 30 -26.700 -2.465 10.177 1.00 0.00 N ATOM 450 CA PHE X 30 -26.742 -1.669 8.955 1.00 0.00 C ATOM 451 C PHE X 30 -26.702 -2.560 7.716 1.00 0.00 C ATOM 452 O PHE X 30 -27.330 -2.253 6.703 1.00 0.00 O ATOM 453 CB PHE X 30 -25.561 -0.696 8.926 1.00 0.00 C ATOM 454 CG PHE X 30 -26.066 0.695 8.618 1.00 0.00 C ATOM 455 CD1 PHE X 30 -26.784 0.933 7.440 1.00 0.00 C ATOM 456 CD2 PHE X 30 -25.822 1.743 9.513 1.00 0.00 C ATOM 457 CE1 PHE X 30 -27.257 2.219 7.156 1.00 0.00 C ATOM 458 CE2 PHE X 30 -26.295 3.029 9.230 1.00 0.00 C ATOM 459 CZ PHE X 30 -27.012 3.268 8.051 1.00 0.00 C ATOM 0 H PHE X 30 -25.865 -2.323 10.746 1.00 0.00 H new ATOM 0 HA PHE X 30 -27.678 -1.110 8.947 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -25.045 -0.704 9.886 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -24.837 -1.007 8.173 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -26.973 0.124 6.750 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -25.269 1.559 10.422 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -27.811 2.402 6.247 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -26.107 3.838 9.921 1.00 0.00 H new ATOM 0 HZ PHE X 30 -27.376 4.261 7.832 1.00 0.00 H new ATOM 469 N LYS X 31 -25.964 -3.662 7.799 1.00 0.00 N ATOM 470 CA LYS X 31 -25.861 -4.582 6.673 1.00 0.00 C ATOM 471 C LYS X 31 -27.245 -5.091 6.291 1.00 0.00 C ATOM 472 O LYS X 31 -27.648 -5.019 5.130 1.00 0.00 O ATOM 473 CB LYS X 31 -24.961 -5.762 7.041 1.00 0.00 C ATOM 474 CG LYS X 31 -24.682 -6.599 5.790 1.00 0.00 C ATOM 475 CD LYS X 31 -23.781 -5.810 4.836 1.00 0.00 C ATOM 476 CE LYS X 31 -24.559 -5.469 3.562 1.00 0.00 C ATOM 477 NZ LYS X 31 -24.802 -6.715 2.780 1.00 0.00 N ATOM 0 H LYS X 31 -25.434 -3.938 8.625 1.00 0.00 H new ATOM 0 HA LYS X 31 -25.426 -4.054 5.825 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.025 -5.401 7.466 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -25.441 -6.376 7.803 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -24.202 -7.537 6.067 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -25.619 -6.854 5.294 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -23.435 -4.896 5.319 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -22.895 -6.395 4.588 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -25.507 -4.997 3.818 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -23.998 -4.753 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -24.980 -6.471 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -23.967 -7.332 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -25.629 -7.212 3.167 1.00 0.00 H new ATOM 491 N GLN X 32 -27.973 -5.590 7.284 1.00 0.00 N ATOM 492 CA GLN X 32 -29.322 -6.091 7.051 1.00 0.00 C ATOM 493 C GLN X 32 -30.204 -4.963 6.533 1.00 0.00 C ATOM 494 O GLN X 32 -30.990 -5.149 5.603 1.00 0.00 O ATOM 495 CB GLN X 32 -29.910 -6.652 8.349 1.00 0.00 C ATOM 496 CG GLN X 32 -28.833 -6.664 9.436 1.00 0.00 C ATOM 497 CD GLN X 32 -29.402 -7.247 10.726 1.00 0.00 C ATOM 498 OE1 GLN X 32 -29.076 -8.375 11.096 1.00 0.00 O ATOM 499 NE2 GLN X 32 -30.239 -6.540 11.435 1.00 0.00 N ATOM 0 H GLN X 32 -27.655 -5.658 8.251 1.00 0.00 H new ATOM 0 HA GLN X 32 -29.280 -6.889 6.310 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -30.757 -6.045 8.669 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.286 -7.662 8.184 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -27.978 -7.254 9.106 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -28.472 -5.651 9.613 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -30.507 -5.606 11.126 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -30.625 -6.922 12.299 1.00 0.00 H new ATOM 508 N TYR X 33 -30.055 -3.786 7.134 1.00 0.00 N ATOM 509 CA TYR X 33 -30.829 -2.624 6.720 1.00 0.00 C ATOM 510 C TYR X 33 -30.499 -2.274 5.273 1.00 0.00 C ATOM 511 O TYR X 33 -31.390 -2.016 4.466 1.00 0.00 O ATOM 512 CB TYR X 33 -30.506 -1.433 7.623 1.00 0.00 C ATOM 513 CG TYR X 33 -31.679 -1.138 8.528 1.00 0.00 C ATOM 514 CD1 TYR X 33 -32.825 -0.522 8.009 1.00 0.00 C ATOM 515 CD2 TYR X 33 -31.618 -1.474 9.885 1.00 0.00 C ATOM 516 CE1 TYR X 33 -33.910 -0.242 8.850 1.00 0.00 C ATOM 517 CE2 TYR X 33 -32.703 -1.196 10.725 1.00 0.00 C ATOM 518 CZ TYR X 33 -33.848 -0.579 10.207 1.00 0.00 C ATOM 519 OH TYR X 33 -34.915 -0.301 11.037 1.00 0.00 O ATOM 0 H TYR X 33 -29.409 -3.614 7.904 1.00 0.00 H new ATOM 0 HA TYR X 33 -31.891 -2.857 6.802 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -29.620 -1.649 8.221 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -30.275 -0.558 7.016 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -32.872 -0.263 6.962 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -30.734 -1.948 10.285 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -34.794 0.234 8.451 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -32.657 -1.457 11.772 1.00 0.00 H new ATOM 0 HH TYR X 33 -34.708 -0.601 11.947 1.00 0.00 H new ATOM 529 N ALA X 34 -29.207 -2.283 4.951 1.00 0.00 N ATOM 530 CA ALA X 34 -28.767 -1.982 3.597 1.00 0.00 C ATOM 531 C ALA X 34 -29.318 -3.030 2.641 1.00 0.00 C ATOM 532 O ALA X 34 -29.802 -2.706 1.556 1.00 0.00 O ATOM 533 CB ALA X 34 -27.237 -1.971 3.535 1.00 0.00 C ATOM 0 H ALA X 34 -28.454 -2.494 5.606 1.00 0.00 H new ATOM 0 HA ALA X 34 -29.137 -0.999 3.307 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -26.916 -1.745 2.518 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -26.851 -1.212 4.215 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.854 -2.949 3.828 1.00 0.00 H new ATOM 539 N ASN X 35 -29.256 -4.291 3.063 1.00 0.00 N ATOM 540 CA ASN X 35 -29.770 -5.383 2.246 1.00 0.00 C ATOM 541 C ASN X 35 -31.272 -5.220 2.060 1.00 0.00 C ATOM 542 O ASN X 35 -31.795 -5.380 0.956 1.00 0.00 O ATOM 543 CB ASN X 35 -29.475 -6.726 2.919 1.00 0.00 C ATOM 544 CG ASN X 35 -29.314 -7.812 1.861 1.00 0.00 C ATOM 545 OD1 ASN X 35 -28.917 -8.934 2.175 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.604 -7.545 0.617 1.00 0.00 N ATOM 0 H ASN X 35 -28.859 -4.578 3.957 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.281 -5.360 1.272 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -28.567 -6.651 3.517 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -30.285 -6.987 3.600 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.502 -8.267 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -29.933 -6.615 0.358 1.00 0.00 H new ATOM 553 N ASP X 36 -31.960 -4.884 3.147 1.00 0.00 N ATOM 554 CA ASP X 36 -33.400 -4.681 3.095 1.00 0.00 C ATOM 555 C ASP X 36 -33.731 -3.600 2.074 1.00 0.00 C ATOM 556 O ASP X 36 -34.798 -3.611 1.459 1.00 0.00 O ATOM 557 CB ASP X 36 -33.919 -4.265 4.472 1.00 0.00 C ATOM 558 CG ASP X 36 -35.426 -4.483 4.553 1.00 0.00 C ATOM 559 OD1 ASP X 36 -36.158 -3.591 4.156 1.00 0.00 O ATOM 560 OD2 ASP X 36 -35.828 -5.541 5.012 1.00 0.00 O ATOM 0 H ASP X 36 -31.545 -4.748 4.069 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.880 -5.614 2.800 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -33.418 -4.844 5.248 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -33.685 -3.216 4.656 1.00 0.00 H new ATOM 565 N ASN X 37 -32.797 -2.670 1.897 1.00 0.00 N ATOM 566 CA ASN X 37 -32.978 -1.584 0.944 1.00 0.00 C ATOM 567 C ASN X 37 -32.447 -1.998 -0.421 1.00 0.00 C ATOM 568 O ASN X 37 -32.612 -1.283 -1.410 1.00 0.00 O ATOM 569 CB ASN X 37 -32.233 -0.336 1.424 1.00 0.00 C ATOM 570 CG ASN X 37 -32.936 0.255 2.642 1.00 0.00 C ATOM 571 OD1 ASN X 37 -33.663 -0.448 3.343 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.760 1.514 2.937 1.00 0.00 N ATOM 0 H ASN X 37 -31.910 -2.648 2.400 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.042 -1.360 0.865 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -31.204 -0.591 1.676 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -32.191 0.403 0.624 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -33.226 1.917 3.750 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -32.157 2.095 2.354 1.00 0.00 H new ATOM 579 N GLY X 38 -31.811 -3.163 -0.465 1.00 0.00 N ATOM 580 CA GLY X 38 -31.257 -3.673 -1.710 1.00 0.00 C ATOM 581 C GLY X 38 -29.827 -3.191 -1.918 1.00 0.00 C ATOM 582 O GLY X 38 -29.296 -3.267 -3.026 1.00 0.00 O ATOM 0 H GLY X 38 -31.667 -3.768 0.343 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.278 -4.763 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.877 -3.350 -2.546 1.00 0.00 H new ATOM 586 N VAL X 39 -29.199 -2.696 -0.853 1.00 0.00 N ATOM 587 CA VAL X 39 -27.828 -2.215 -0.962 1.00 0.00 C ATOM 588 C VAL X 39 -26.846 -3.358 -0.726 1.00 0.00 C ATOM 589 O VAL X 39 -26.678 -3.824 0.400 1.00 0.00 O ATOM 590 CB VAL X 39 -27.578 -1.105 0.060 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.098 -0.717 0.042 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.428 0.118 -0.296 1.00 0.00 C ATOM 0 H VAL X 39 -29.610 -2.619 0.077 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.678 -1.819 -1.967 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.849 -1.461 1.054 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.920 0.074 0.770 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.491 -1.586 0.295 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -25.827 -0.362 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.250 0.909 0.432 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.157 0.472 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.483 -0.156 -0.284 1.00 0.00 H new ATOM 602 N ASP X 40 -26.202 -3.802 -1.799 1.00 0.00 N ATOM 603 CA ASP X 40 -25.235 -4.887 -1.710 1.00 0.00 C ATOM 604 C ASP X 40 -23.911 -4.480 -2.347 1.00 0.00 C ATOM 605 O ASP X 40 -23.832 -3.469 -3.043 1.00 0.00 O ATOM 606 CB ASP X 40 -25.777 -6.133 -2.410 1.00 0.00 C ATOM 607 CG ASP X 40 -25.132 -7.382 -1.819 1.00 0.00 C ATOM 608 OD1 ASP X 40 -25.034 -7.456 -0.605 1.00 0.00 O ATOM 609 OD2 ASP X 40 -24.744 -8.245 -2.589 1.00 0.00 O ATOM 0 H ASP X 40 -26.332 -3.428 -2.739 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.066 -5.108 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.860 -6.183 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -25.572 -6.078 -3.479 1.00 0.00 H new ATOM 614 N GLY X 41 -22.879 -5.280 -2.108 1.00 0.00 N ATOM 615 CA GLY X 41 -21.563 -5.003 -2.668 1.00 0.00 C ATOM 616 C GLY X 41 -20.469 -5.613 -1.804 1.00 0.00 C ATOM 617 O GLY X 41 -20.749 -6.372 -0.877 1.00 0.00 O ATOM 0 H GLY X 41 -22.928 -6.121 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.501 -5.405 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.414 -3.926 -2.744 1.00 0.00 H new ATOM 621 N GLU X 42 -19.221 -5.270 -2.105 1.00 0.00 N ATOM 622 CA GLU X 42 -18.099 -5.790 -1.337 1.00 0.00 C ATOM 623 C GLU X 42 -17.764 -4.832 -0.204 1.00 0.00 C ATOM 624 O GLU X 42 -17.387 -3.685 -0.441 1.00 0.00 O ATOM 625 CB GLU X 42 -16.878 -5.972 -2.238 1.00 0.00 C ATOM 626 CG GLU X 42 -15.973 -7.058 -1.651 1.00 0.00 C ATOM 627 CD GLU X 42 -14.767 -7.280 -2.555 1.00 0.00 C ATOM 628 OE1 GLU X 42 -14.394 -6.351 -3.252 1.00 0.00 O ATOM 629 OE2 GLU X 42 -14.232 -8.377 -2.537 1.00 0.00 O ATOM 0 H GLU X 42 -18.964 -4.642 -2.866 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.376 -6.759 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.192 -6.249 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.331 -5.033 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -15.641 -6.766 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -16.531 -7.988 -1.542 1.00 0.00 H new ATOM 636 N TRP X 43 -17.919 -5.299 1.028 1.00 0.00 N ATOM 637 CA TRP X 43 -17.646 -4.453 2.180 1.00 0.00 C ATOM 638 C TRP X 43 -16.323 -4.827 2.842 1.00 0.00 C ATOM 639 O TRP X 43 -15.914 -5.987 2.836 1.00 0.00 O ATOM 640 CB TRP X 43 -18.783 -4.587 3.195 1.00 0.00 C ATOM 641 CG TRP X 43 -19.979 -5.202 2.534 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.151 -4.566 2.303 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.142 -6.558 2.023 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.023 -5.443 1.679 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.447 -6.682 1.484 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.295 -7.678 1.971 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -21.892 -7.876 0.916 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -19.740 -8.881 1.401 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.035 -8.981 0.874 1.00 0.00 C ATOM 0 H TRP X 43 -18.228 -6.245 1.253 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.574 -3.421 1.835 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.463 -5.203 4.035 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.041 -3.608 3.598 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.371 -3.541 2.563 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -22.974 -5.203 1.398 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.295 -7.613 2.372 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -22.891 -7.947 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.080 -9.735 1.368 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.371 -9.910 0.436 1.00 0.00 H new ATOM 660 N THR X 44 -15.665 -3.823 3.413 1.00 0.00 N ATOM 661 CA THR X 44 -14.390 -4.027 4.089 1.00 0.00 C ATOM 662 C THR X 44 -14.151 -2.907 5.097 1.00 0.00 C ATOM 663 O THR X 44 -14.830 -1.881 5.067 1.00 0.00 O ATOM 664 CB THR X 44 -13.254 -4.053 3.063 1.00 0.00 C ATOM 665 OG1 THR X 44 -12.035 -3.690 3.697 1.00 0.00 O ATOM 666 CG2 THR X 44 -13.559 -3.067 1.936 1.00 0.00 C ATOM 0 H THR X 44 -15.995 -2.858 3.421 1.00 0.00 H new ATOM 0 HA THR X 44 -14.417 -4.981 4.616 1.00 0.00 H new ATOM 0 HB THR X 44 -13.162 -5.057 2.649 1.00 0.00 H new ATOM 0 HG1 THR X 44 -11.838 -2.748 3.513 1.00 0.00 H new ATOM 0 HG21 THR X 44 -12.749 -3.087 1.206 1.00 0.00 H new ATOM 0 HG22 THR X 44 -14.493 -3.348 1.449 1.00 0.00 H new ATOM 0 HG23 THR X 44 -13.652 -2.062 2.347 1.00 0.00 H new ATOM 674 N TYR X 45 -13.187 -3.105 5.989 1.00 0.00 N ATOM 675 CA TYR X 45 -12.881 -2.095 6.996 1.00 0.00 C ATOM 676 C TYR X 45 -11.576 -1.380 6.666 1.00 0.00 C ATOM 677 O TYR X 45 -10.492 -1.945 6.818 1.00 0.00 O ATOM 678 CB TYR X 45 -12.773 -2.747 8.376 1.00 0.00 C ATOM 679 CG TYR X 45 -14.045 -3.502 8.678 1.00 0.00 C ATOM 680 CD1 TYR X 45 -15.230 -2.801 8.932 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.038 -4.901 8.705 1.00 0.00 C ATOM 682 CE1 TYR X 45 -16.409 -3.502 9.214 1.00 0.00 C ATOM 683 CE2 TYR X 45 -15.218 -5.601 8.986 1.00 0.00 C ATOM 684 CZ TYR X 45 -16.403 -4.901 9.241 1.00 0.00 C ATOM 685 OH TYR X 45 -17.567 -5.590 9.519 1.00 0.00 O ATOM 0 H TYR X 45 -12.610 -3.945 6.036 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.689 -1.363 7.002 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -11.920 -3.425 8.404 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -12.600 -1.986 9.137 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -15.235 -1.721 8.910 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -13.123 -5.441 8.509 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -17.324 -2.962 9.411 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -15.214 -6.681 9.006 1.00 0.00 H new ATOM 0 HH TYR X 45 -17.390 -6.554 9.497 1.00 0.00 H new ATOM 695 N ASP X 46 -11.685 -0.132 6.219 1.00 0.00 N ATOM 696 CA ASP X 46 -10.503 0.650 5.877 1.00 0.00 C ATOM 697 C ASP X 46 -10.164 1.623 7.001 1.00 0.00 C ATOM 698 O ASP X 46 -11.036 2.336 7.500 1.00 0.00 O ATOM 699 CB ASP X 46 -10.743 1.426 4.581 1.00 0.00 C ATOM 700 CG ASP X 46 -10.936 0.455 3.422 1.00 0.00 C ATOM 701 OD1 ASP X 46 -10.639 -0.714 3.598 1.00 0.00 O ATOM 702 OD2 ASP X 46 -11.380 0.895 2.372 1.00 0.00 O ATOM 0 H ASP X 46 -12.571 0.355 6.086 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.666 -0.034 5.737 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.623 2.061 4.685 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -9.897 2.083 4.379 1.00 0.00 H new ATOM 707 N ASP X 47 -8.897 1.646 7.398 1.00 0.00 N ATOM 708 CA ASP X 47 -8.460 2.535 8.469 1.00 0.00 C ATOM 709 C ASP X 47 -7.709 3.738 7.906 1.00 0.00 C ATOM 710 O ASP X 47 -7.962 4.877 8.297 1.00 0.00 O ATOM 711 CB ASP X 47 -7.554 1.777 9.444 1.00 0.00 C ATOM 712 CG ASP X 47 -7.570 0.287 9.123 1.00 0.00 C ATOM 713 OD1 ASP X 47 -8.539 -0.366 9.474 1.00 0.00 O ATOM 714 OD2 ASP X 47 -6.611 -0.181 8.530 1.00 0.00 O ATOM 0 H ASP X 47 -8.160 1.065 6.999 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.345 2.892 8.996 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -6.536 2.160 9.379 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -7.891 1.940 10.468 1.00 0.00 H new ATOM 719 N ALA X 48 -6.783 3.481 6.988 1.00 0.00 N ATOM 720 CA ALA X 48 -6.003 4.556 6.386 1.00 0.00 C ATOM 721 C ALA X 48 -6.921 5.609 5.772 1.00 0.00 C ATOM 722 O ALA X 48 -6.564 6.783 5.690 1.00 0.00 O ATOM 723 CB ALA X 48 -5.077 3.993 5.307 1.00 0.00 C ATOM 0 H ALA X 48 -6.556 2.547 6.647 1.00 0.00 H new ATOM 0 HA ALA X 48 -5.405 5.023 7.168 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.499 4.804 4.864 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.399 3.266 5.753 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.672 3.507 4.534 1.00 0.00 H new ATOM 729 N THR X 49 -8.105 5.182 5.341 1.00 0.00 N ATOM 730 CA THR X 49 -9.061 6.105 4.738 1.00 0.00 C ATOM 731 C THR X 49 -10.336 6.178 5.572 1.00 0.00 C ATOM 732 O THR X 49 -11.326 6.780 5.155 1.00 0.00 O ATOM 733 CB THR X 49 -9.407 5.646 3.319 1.00 0.00 C ATOM 734 OG1 THR X 49 -10.304 4.548 3.386 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.131 5.224 2.589 1.00 0.00 C ATOM 0 H THR X 49 -8.423 4.214 5.397 1.00 0.00 H new ATOM 0 HA THR X 49 -8.606 7.095 4.701 1.00 0.00 H new ATOM 0 HB THR X 49 -9.876 6.466 2.775 1.00 0.00 H new ATOM 0 HG1 THR X 49 -10.529 4.253 2.479 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.380 4.898 1.579 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.445 6.069 2.538 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.657 4.404 3.129 1.00 0.00 H new ATOM 743 N LYS X 50 -10.305 5.563 6.750 1.00 0.00 N ATOM 744 CA LYS X 50 -11.466 5.568 7.632 1.00 0.00 C ATOM 745 C LYS X 50 -12.752 5.678 6.820 1.00 0.00 C ATOM 746 O LYS X 50 -13.605 6.519 7.101 1.00 0.00 O ATOM 747 CB LYS X 50 -11.373 6.743 8.607 1.00 0.00 C ATOM 748 CG LYS X 50 -9.952 6.822 9.170 1.00 0.00 C ATOM 749 CD LYS X 50 -9.927 7.767 10.375 1.00 0.00 C ATOM 750 CE LYS X 50 -9.589 9.184 9.905 1.00 0.00 C ATOM 751 NZ LYS X 50 -9.939 10.160 10.977 1.00 0.00 N ATOM 0 H LYS X 50 -9.496 5.059 7.113 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.481 4.632 8.191 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -11.627 7.673 8.099 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -12.091 6.616 9.417 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -9.612 5.830 9.467 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -9.265 7.178 8.402 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -10.895 7.760 10.876 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -9.189 7.428 11.102 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -8.528 9.256 9.665 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -10.138 9.417 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -10.361 11.009 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -10.621 9.727 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -9.079 10.426 11.498 1.00 0.00 H new ATOM 765 N THR X 51 -12.882 4.824 5.810 1.00 0.00 N ATOM 766 CA THR X 51 -14.068 4.840 4.963 1.00 0.00 C ATOM 767 C THR X 51 -14.572 3.425 4.700 1.00 0.00 C ATOM 768 O THR X 51 -13.787 2.485 4.575 1.00 0.00 O ATOM 769 CB THR X 51 -13.754 5.528 3.632 1.00 0.00 C ATOM 770 OG1 THR X 51 -13.554 6.916 3.856 1.00 0.00 O ATOM 771 CG2 THR X 51 -14.921 5.328 2.665 1.00 0.00 C ATOM 0 H THR X 51 -12.188 4.119 5.560 1.00 0.00 H new ATOM 0 HA THR X 51 -14.848 5.395 5.485 1.00 0.00 H new ATOM 0 HB THR X 51 -12.851 5.095 3.202 1.00 0.00 H new ATOM 0 HG1 THR X 51 -12.642 7.067 4.182 1.00 0.00 H new ATOM 0 HG21 THR X 51 -14.697 5.818 1.718 1.00 0.00 H new ATOM 0 HG22 THR X 51 -15.074 4.262 2.495 1.00 0.00 H new ATOM 0 HG23 THR X 51 -15.826 5.761 3.092 1.00 0.00 H new ATOM 779 N PHE X 52 -15.889 3.291 4.605 1.00 0.00 N ATOM 780 CA PHE X 52 -16.512 2.000 4.346 1.00 0.00 C ATOM 781 C PHE X 52 -17.260 2.067 3.019 1.00 0.00 C ATOM 782 O PHE X 52 -17.982 3.029 2.760 1.00 0.00 O ATOM 783 CB PHE X 52 -17.471 1.669 5.497 1.00 0.00 C ATOM 784 CG PHE X 52 -18.513 0.664 5.063 1.00 0.00 C ATOM 785 CD1 PHE X 52 -19.566 1.060 4.232 1.00 0.00 C ATOM 786 CD2 PHE X 52 -18.436 -0.659 5.514 1.00 0.00 C ATOM 787 CE1 PHE X 52 -20.541 0.133 3.850 1.00 0.00 C ATOM 788 CE2 PHE X 52 -19.413 -1.586 5.133 1.00 0.00 C ATOM 789 CZ PHE X 52 -20.465 -1.190 4.300 1.00 0.00 C ATOM 0 H PHE X 52 -16.548 4.063 4.704 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.757 1.216 4.283 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -16.908 1.272 6.342 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -17.961 2.580 5.840 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -19.626 2.081 3.885 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.623 -0.964 6.156 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -21.353 0.438 3.207 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -19.355 -2.606 5.482 1.00 0.00 H new ATOM 0 HZ PHE X 52 -21.218 -1.905 4.004 1.00 0.00 H new ATOM 799 N THR X 53 -17.069 1.067 2.167 1.00 0.00 N ATOM 800 CA THR X 53 -17.725 1.077 0.864 1.00 0.00 C ATOM 801 C THR X 53 -18.242 -0.303 0.477 1.00 0.00 C ATOM 802 O THR X 53 -17.761 -1.325 0.968 1.00 0.00 O ATOM 803 CB THR X 53 -16.745 1.567 -0.204 1.00 0.00 C ATOM 804 OG1 THR X 53 -17.372 1.517 -1.478 1.00 0.00 O ATOM 805 CG2 THR X 53 -15.503 0.673 -0.209 1.00 0.00 C ATOM 0 H THR X 53 -16.479 0.255 2.348 1.00 0.00 H new ATOM 0 HA THR X 53 -18.579 1.751 0.931 1.00 0.00 H new ATOM 0 HB THR X 53 -16.450 2.593 0.016 1.00 0.00 H new ATOM 0 HG1 THR X 53 -16.746 1.832 -2.163 1.00 0.00 H new ATOM 0 HG21 THR X 53 -14.806 1.023 -0.970 1.00 0.00 H new ATOM 0 HG22 THR X 53 -15.023 0.712 0.769 1.00 0.00 H new ATOM 0 HG23 THR X 53 -15.795 -0.354 -0.429 1.00 0.00 H new ATOM 813 N VAL X 54 -19.222 -0.315 -0.423 1.00 0.00 N ATOM 814 CA VAL X 54 -19.806 -1.563 -0.899 1.00 0.00 C ATOM 815 C VAL X 54 -20.237 -1.414 -2.356 1.00 0.00 C ATOM 816 O VAL X 54 -21.004 -0.515 -2.699 1.00 0.00 O ATOM 817 CB VAL X 54 -21.007 -1.957 -0.029 1.00 0.00 C ATOM 818 CG1 VAL X 54 -20.863 -1.335 1.360 1.00 0.00 C ATOM 819 CG2 VAL X 54 -22.307 -1.459 -0.670 1.00 0.00 C ATOM 0 H VAL X 54 -19.627 0.525 -0.836 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.055 -2.350 -0.830 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.038 -3.043 0.055 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -21.718 -1.617 1.975 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -19.946 -1.695 1.826 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -20.823 -0.249 1.270 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -23.153 -1.744 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -22.274 -0.374 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -22.420 -1.905 -1.658 1.00 0.00 H new ATOM 829 N THR X 55 -19.734 -2.298 -3.208 1.00 0.00 N ATOM 830 CA THR X 55 -20.070 -2.252 -4.627 1.00 0.00 C ATOM 831 C THR X 55 -20.678 -3.573 -5.083 1.00 0.00 C ATOM 832 O THR X 55 -20.016 -4.612 -5.067 1.00 0.00 O ATOM 833 CB THR X 55 -18.816 -1.954 -5.450 1.00 0.00 C ATOM 834 OG1 THR X 55 -18.024 -0.992 -4.767 1.00 0.00 O ATOM 835 CG2 THR X 55 -19.219 -1.406 -6.820 1.00 0.00 C ATOM 0 H THR X 55 -19.097 -3.050 -2.945 1.00 0.00 H new ATOM 0 HA THR X 55 -20.803 -1.460 -4.779 1.00 0.00 H new ATOM 0 HB THR X 55 -18.242 -2.871 -5.584 1.00 0.00 H new ATOM 0 HG1 THR X 55 -17.218 -0.800 -5.291 1.00 0.00 H new ATOM 0 HG21 THR X 55 -18.324 -1.194 -7.405 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.828 -2.144 -7.342 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.793 -0.489 -6.690 1.00 0.00 H new ATOM 843 N GLU X 56 -21.942 -3.521 -5.490 1.00 0.00 N ATOM 844 CA GLU X 56 -22.643 -4.713 -5.955 1.00 0.00 C ATOM 845 C GLU X 56 -21.656 -5.751 -6.478 1.00 0.00 C ATOM 846 O GLU X 56 -20.973 -5.454 -7.445 1.00 0.00 O ATOM 847 CB GLU X 56 -23.625 -4.337 -7.064 1.00 0.00 C ATOM 848 CG GLU X 56 -24.852 -5.244 -6.989 1.00 0.00 C ATOM 849 CD GLU X 56 -25.725 -5.045 -8.223 1.00 0.00 C ATOM 850 OE1 GLU X 56 -26.236 -3.949 -8.391 1.00 0.00 O ATOM 851 OE2 GLU X 56 -25.870 -5.989 -8.981 1.00 0.00 O ATOM 852 OXT GLU X 56 -21.597 -6.825 -5.904 1.00 0.00 O ATOM 0 H GLU X 56 -22.501 -2.668 -5.507 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.187 -5.142 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -23.924 -3.294 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -23.145 -4.436 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -24.540 -6.286 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -25.425 -5.021 -6.089 1.00 0.00 H new