USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, 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 Set 1.1: A 50 THR OG1 : rot -33:sc= 0.454 USER MOD Set 1.2: A 52 THR OG1 : rot 45:sc= 0.52 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.6! K(o=-3.9!,f=0.77) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.3! K(o=-3.9!,f=0.81) USER MOD Set 3.1: A 17 THR OG1 : rot 156:sc= 0.0023 USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.133 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -70:sc= 0.744 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0581) USER MOD Single : A 9 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 1.16 K(o=1.2,f=-0.54) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 46 TYR OH : rot -158:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00561 (180deg=-0.123) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.286 -0.469 0.204 1.00 0.00 N ATOM 2 CA MET A 1 -15.417 -1.192 -0.753 1.00 0.00 C ATOM 3 C MET A 1 -14.866 -0.188 -1.780 1.00 0.00 C ATOM 4 O MET A 1 -15.036 1.023 -1.603 1.00 0.00 O ATOM 5 CB MET A 1 -16.203 -2.384 -1.337 1.00 0.00 C ATOM 6 CG MET A 1 -15.438 -3.318 -2.282 1.00 0.00 C ATOM 7 SD MET A 1 -15.729 -5.086 -2.019 1.00 0.00 S ATOM 8 CE MET A 1 -14.253 -5.736 -2.843 1.00 0.00 C ATOM 0 H1 MET A 1 -15.906 -0.575 1.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.315 0.540 -0.047 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.248 -0.863 0.166 1.00 0.00 H new ATOM 0 HA MET A 1 -14.539 -1.630 -0.277 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.585 -2.979 -0.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.067 -1.992 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.707 -3.070 -3.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.371 -3.122 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.461 -6.734 -3.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.978 -5.079 -3.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.430 -5.786 -2.130 1.00 0.00 H new ATOM 18 N GLY A 2 -14.198 -0.636 -2.847 1.00 0.00 N ATOM 19 CA GLY A 2 -13.637 0.199 -3.900 1.00 0.00 C ATOM 20 C GLY A 2 -12.189 -0.165 -4.197 1.00 0.00 C ATOM 21 O GLY A 2 -11.571 -0.980 -3.505 1.00 0.00 O ATOM 0 H GLY A 2 -14.030 -1.630 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.233 0.090 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.695 1.246 -3.604 1.00 0.00 H new ATOM 25 N THR A 3 -11.647 0.441 -5.252 1.00 0.00 N ATOM 26 CA THR A 3 -10.276 0.223 -5.669 1.00 0.00 C ATOM 27 C THR A 3 -9.370 1.117 -4.821 1.00 0.00 C ATOM 28 O THR A 3 -9.471 2.343 -4.873 1.00 0.00 O ATOM 29 CB THR A 3 -10.111 0.526 -7.168 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.229 0.124 -7.953 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.843 -0.119 -7.729 1.00 0.00 C ATOM 0 H THR A 3 -12.156 1.100 -5.841 1.00 0.00 H new ATOM 0 HA THR A 3 -10.000 -0.821 -5.521 1.00 0.00 H new ATOM 0 HB THR A 3 -10.035 1.611 -7.236 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.265 -0.854 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.755 0.114 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.973 0.269 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.896 -1.200 -7.598 1.00 0.00 H new ATOM 39 N TYR A 4 -8.528 0.501 -4.004 1.00 0.00 N ATOM 40 CA TYR A 4 -7.557 1.138 -3.132 1.00 0.00 C ATOM 41 C TYR A 4 -6.238 1.210 -3.914 1.00 0.00 C ATOM 42 O TYR A 4 -6.063 0.482 -4.900 1.00 0.00 O ATOM 43 CB TYR A 4 -7.410 0.298 -1.855 1.00 0.00 C ATOM 44 CG TYR A 4 -8.517 0.513 -0.846 1.00 0.00 C ATOM 45 CD1 TYR A 4 -9.693 -0.261 -0.886 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.363 1.508 0.138 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.731 -0.015 0.027 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.395 1.753 1.060 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.586 1.000 0.996 1.00 0.00 C ATOM 50 OH TYR A 4 -11.596 1.279 1.859 1.00 0.00 O ATOM 0 H TYR A 4 -8.505 -0.516 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.863 2.141 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.381 -0.757 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.454 0.533 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.797 -1.046 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.451 2.084 0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.637 -0.601 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.276 2.516 1.815 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.323 2.005 2.458 1.00 0.00 H new ATOM 60 N LYS A 5 -5.280 2.027 -3.467 1.00 0.00 N ATOM 61 CA LYS A 5 -3.982 2.217 -4.119 1.00 0.00 C ATOM 62 C LYS A 5 -2.844 2.159 -3.108 1.00 0.00 C ATOM 63 O LYS A 5 -3.037 2.540 -1.955 1.00 0.00 O ATOM 64 CB LYS A 5 -4.007 3.585 -4.811 1.00 0.00 C ATOM 65 CG LYS A 5 -2.795 3.892 -5.703 1.00 0.00 C ATOM 66 CD LYS A 5 -2.666 5.403 -5.944 1.00 0.00 C ATOM 67 CE LYS A 5 -1.781 5.687 -7.155 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.523 5.437 -8.406 1.00 0.00 N ATOM 0 H LYS A 5 -5.388 2.588 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.811 1.420 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.910 3.650 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.080 4.359 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.887 3.515 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.899 3.374 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.654 5.836 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.245 5.882 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.439 6.722 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.893 5.056 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.988 5.823 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.651 4.413 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.454 5.899 -8.356 1.00 0.00 H new ATOM 82 N LEU A 6 -1.685 1.652 -3.513 1.00 0.00 N ATOM 83 CA LEU A 6 -0.490 1.563 -2.684 1.00 0.00 C ATOM 84 C LEU A 6 0.630 2.263 -3.432 1.00 0.00 C ATOM 85 O LEU A 6 0.744 2.115 -4.652 1.00 0.00 O ATOM 86 CB LEU A 6 -0.108 0.106 -2.405 1.00 0.00 C ATOM 87 CG LEU A 6 1.268 -0.111 -1.732 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.312 0.482 -0.314 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.588 -1.612 -1.712 1.00 0.00 C ATOM 0 H LEU A 6 -1.548 1.281 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.674 2.034 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.876 -0.336 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.121 -0.440 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 6 2.026 0.414 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.295 0.308 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.121 1.554 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.551 0.005 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.557 -1.771 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.818 -2.141 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.616 -1.992 -2.733 1.00 0.00 H new ATOM 101 N ILE A 7 1.462 2.970 -2.677 1.00 0.00 N ATOM 102 CA ILE A 7 2.619 3.710 -3.144 1.00 0.00 C ATOM 103 C ILE A 7 3.825 3.207 -2.347 1.00 0.00 C ATOM 104 O ILE A 7 3.951 3.440 -1.144 1.00 0.00 O ATOM 105 CB ILE A 7 2.396 5.235 -3.042 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.135 5.658 -3.827 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.644 5.986 -3.550 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.854 7.165 -3.806 1.00 0.00 C ATOM 0 H ILE A 7 1.337 3.044 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 7 2.799 3.537 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 7 2.237 5.497 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.241 5.334 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.272 5.134 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.478 7.061 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.507 5.709 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.830 5.720 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.048 7.375 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.714 7.495 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.697 7.698 -4.246 1.00 0.00 H new ATOM 120 N LEU A 8 4.674 2.426 -3.001 1.00 0.00 N ATOM 121 CA LEU A 8 5.888 1.866 -2.444 1.00 0.00 C ATOM 122 C LEU A 8 6.944 2.954 -2.646 1.00 0.00 C ATOM 123 O LEU A 8 7.355 3.215 -3.781 1.00 0.00 O ATOM 124 CB LEU A 8 6.269 0.574 -3.192 1.00 0.00 C ATOM 125 CG LEU A 8 5.294 -0.591 -3.074 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.731 -1.711 -4.031 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.213 -1.169 -1.671 1.00 0.00 C ATOM 0 H LEU A 8 4.525 2.157 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 8 5.784 1.594 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.388 0.814 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.242 0.243 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 8 4.308 -0.201 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.038 -2.548 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.731 -1.336 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.734 -2.045 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.501 -1.994 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.196 -1.533 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.884 -0.395 -0.977 1.00 0.00 H new ATOM 139 N ASN A 9 7.304 3.646 -1.567 1.00 0.00 N ATOM 140 CA ASN A 9 8.302 4.714 -1.517 1.00 0.00 C ATOM 141 C ASN A 9 9.525 4.131 -0.798 1.00 0.00 C ATOM 142 O ASN A 9 9.859 4.543 0.317 1.00 0.00 O ATOM 143 CB ASN A 9 7.783 5.953 -0.741 1.00 0.00 C ATOM 144 CG ASN A 9 7.044 6.991 -1.558 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.125 7.027 -2.777 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.355 7.904 -0.902 1.00 0.00 N ATOM 0 H ASN A 9 6.885 3.467 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 9 8.539 5.050 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.121 5.607 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.633 6.437 -0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.883 8.650 -1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.294 7.864 0.115 1.00 0.00 H new ATOM 153 N GLY A 10 10.296 3.270 -1.458 1.00 0.00 N ATOM 154 CA GLY A 10 11.466 2.647 -0.868 1.00 0.00 C ATOM 155 C GLY A 10 12.799 3.227 -1.291 1.00 0.00 C ATOM 156 O GLY A 10 12.978 3.790 -2.370 1.00 0.00 O ATOM 0 H GLY A 10 10.121 2.987 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.386 2.720 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.456 1.586 -1.118 1.00 0.00 H new ATOM 160 N LYS A 11 13.770 3.031 -0.412 1.00 0.00 N ATOM 161 CA LYS A 11 15.153 3.464 -0.556 1.00 0.00 C ATOM 162 C LYS A 11 15.892 2.619 -1.580 1.00 0.00 C ATOM 163 O LYS A 11 16.955 3.049 -2.036 1.00 0.00 O ATOM 164 CB LYS A 11 15.845 3.348 0.805 1.00 0.00 C ATOM 165 CG LYS A 11 15.277 4.397 1.768 1.00 0.00 C ATOM 166 CD LYS A 11 15.469 4.013 3.231 1.00 0.00 C ATOM 167 CE LYS A 11 16.921 3.787 3.645 1.00 0.00 C ATOM 168 NZ LYS A 11 17.732 5.017 3.565 1.00 0.00 N ATOM 0 H LYS A 11 13.607 2.540 0.467 1.00 0.00 H new ATOM 0 HA LYS A 11 15.166 4.497 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.698 2.348 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.920 3.491 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.760 5.356 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.214 4.531 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.045 4.798 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.902 3.104 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.949 3.404 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.363 3.023 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.708 4.809 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.731 5.371 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.330 5.740 4.195 1.00 0.00 H new ATOM 182 N THR A 12 15.344 1.480 -2.002 1.00 0.00 N ATOM 183 CA THR A 12 15.986 0.607 -2.976 1.00 0.00 C ATOM 184 C THR A 12 15.053 0.198 -4.111 1.00 0.00 C ATOM 185 O THR A 12 15.522 0.062 -5.240 1.00 0.00 O ATOM 186 CB THR A 12 16.596 -0.598 -2.255 1.00 0.00 C ATOM 187 OG1 THR A 12 15.649 -1.271 -1.459 1.00 0.00 O ATOM 188 CG2 THR A 12 17.753 -0.172 -1.355 1.00 0.00 C ATOM 0 H THR A 12 14.440 1.139 -1.675 1.00 0.00 H new ATOM 0 HA THR A 12 16.787 1.166 -3.460 1.00 0.00 H new ATOM 0 HB THR A 12 16.953 -1.270 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.076 -2.034 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.167 -1.048 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.528 0.302 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.392 0.535 -0.608 1.00 0.00 H new ATOM 196 N LEU A 13 13.758 -0.001 -3.852 1.00 0.00 N ATOM 197 CA LEU A 13 12.759 -0.380 -4.852 1.00 0.00 C ATOM 198 C LEU A 13 11.548 0.480 -4.599 1.00 0.00 C ATOM 199 O LEU A 13 11.264 0.755 -3.438 1.00 0.00 O ATOM 200 CB LEU A 13 12.393 -1.869 -4.711 1.00 0.00 C ATOM 201 CG LEU A 13 11.175 -2.339 -5.545 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.283 -3.845 -5.811 1.00 0.00 C ATOM 203 CD2 LEU A 13 9.816 -2.130 -4.850 1.00 0.00 C ATOM 0 H LEU A 13 13.366 0.100 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 13 13.143 -0.233 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.259 -2.466 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.194 -2.078 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 13 11.203 -1.735 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.425 -4.173 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.200 -4.052 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.301 -4.382 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.016 -2.485 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.797 -2.688 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.672 -1.069 -4.644 1.00 0.00 H new ATOM 215 N LYS A 14 10.834 0.892 -5.645 1.00 0.00 N ATOM 216 CA LYS A 14 9.620 1.700 -5.550 1.00 0.00 C ATOM 217 C LYS A 14 8.636 1.223 -6.612 1.00 0.00 C ATOM 218 O LYS A 14 9.064 0.588 -7.586 1.00 0.00 O ATOM 219 CB LYS A 14 9.937 3.182 -5.764 1.00 0.00 C ATOM 220 CG LYS A 14 10.658 3.829 -4.580 1.00 0.00 C ATOM 221 CD LYS A 14 11.549 5.009 -4.942 1.00 0.00 C ATOM 222 CE LYS A 14 12.834 4.499 -5.597 1.00 0.00 C ATOM 223 NZ LYS A 14 13.723 5.619 -5.943 1.00 0.00 N ATOM 0 H LYS A 14 11.090 0.667 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 14 9.187 1.587 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.553 3.288 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.008 3.721 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.913 4.163 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.266 3.072 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.023 5.679 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.788 5.585 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.347 3.817 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.590 3.932 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.589 5.251 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.238 6.255 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.972 6.144 -5.080 1.00 0.00 H new ATOM 237 N GLY A 15 7.353 1.528 -6.465 1.00 0.00 N ATOM 238 CA GLY A 15 6.326 1.133 -7.427 1.00 0.00 C ATOM 239 C GLY A 15 4.925 1.407 -6.897 1.00 0.00 C ATOM 240 O GLY A 15 4.747 1.675 -5.711 1.00 0.00 O ATOM 0 H GLY A 15 6.992 2.059 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.474 1.675 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.428 0.072 -7.654 1.00 0.00 H new ATOM 244 N GLU A 16 3.898 1.304 -7.736 1.00 0.00 N ATOM 245 CA GLU A 16 2.520 1.532 -7.334 1.00 0.00 C ATOM 246 C GLU A 16 1.679 0.367 -7.821 1.00 0.00 C ATOM 247 O GLU A 16 2.000 -0.287 -8.819 1.00 0.00 O ATOM 248 CB GLU A 16 1.966 2.863 -7.866 1.00 0.00 C ATOM 249 CG GLU A 16 2.625 4.093 -7.229 1.00 0.00 C ATOM 250 CD GLU A 16 3.710 4.690 -8.129 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.861 4.201 -8.142 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.369 5.630 -8.883 1.00 0.00 O ATOM 0 H GLU A 16 4.003 1.058 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 16 2.482 1.600 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.108 2.902 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.892 2.900 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.865 4.848 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.062 3.815 -6.270 1.00 0.00 H new ATOM 259 N THR A 17 0.604 0.106 -7.103 1.00 0.00 N ATOM 260 CA THR A 17 -0.345 -0.944 -7.395 1.00 0.00 C ATOM 261 C THR A 17 -1.700 -0.501 -6.861 1.00 0.00 C ATOM 262 O THR A 17 -1.809 0.438 -6.064 1.00 0.00 O ATOM 263 CB THR A 17 0.139 -2.290 -6.798 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.678 -3.353 -7.236 1.00 0.00 O ATOM 265 CG2 THR A 17 0.122 -2.378 -5.267 1.00 0.00 C ATOM 0 H THR A 17 0.361 0.641 -6.269 1.00 0.00 H new ATOM 0 HA THR A 17 -0.435 -1.115 -8.468 1.00 0.00 H new ATOM 0 HB THR A 17 1.171 -2.356 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.177 -4.194 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.479 -3.360 -4.955 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.770 -1.607 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.896 -2.230 -4.905 1.00 0.00 H new ATOM 273 N THR A 18 -2.739 -1.186 -7.304 1.00 0.00 N ATOM 274 CA THR A 18 -4.107 -0.970 -6.916 1.00 0.00 C ATOM 275 C THR A 18 -4.692 -2.354 -6.628 1.00 0.00 C ATOM 276 O THR A 18 -4.256 -3.354 -7.205 1.00 0.00 O ATOM 277 CB THR A 18 -4.850 -0.179 -8.013 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.451 -0.504 -9.334 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.534 1.309 -7.888 1.00 0.00 C ATOM 0 H THR A 18 -2.638 -1.945 -7.978 1.00 0.00 H new ATOM 0 HA THR A 18 -4.206 -0.357 -6.020 1.00 0.00 H new ATOM 0 HB THR A 18 -5.900 -0.431 -7.863 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.964 0.034 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.062 1.860 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.853 1.668 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.461 1.464 -7.999 1.00 0.00 H new ATOM 287 N THR A 19 -5.602 -2.442 -5.664 1.00 0.00 N ATOM 288 CA THR A 19 -6.262 -3.681 -5.291 1.00 0.00 C ATOM 289 C THR A 19 -7.681 -3.293 -4.893 1.00 0.00 C ATOM 290 O THR A 19 -7.925 -2.155 -4.486 1.00 0.00 O ATOM 291 CB THR A 19 -5.458 -4.440 -4.212 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.670 -5.835 -4.332 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.795 -4.015 -2.777 1.00 0.00 C ATOM 0 H THR A 19 -5.905 -1.639 -5.113 1.00 0.00 H new ATOM 0 HA THR A 19 -6.313 -4.399 -6.110 1.00 0.00 H new ATOM 0 HB THR A 19 -4.413 -4.186 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.825 -6.308 -4.183 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.191 -4.591 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.582 -2.953 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.852 -4.198 -2.582 1.00 0.00 H new ATOM 301 N GLU A 20 -8.641 -4.190 -5.059 1.00 0.00 N ATOM 302 CA GLU A 20 -10.021 -3.932 -4.701 1.00 0.00 C ATOM 303 C GLU A 20 -10.226 -4.631 -3.371 1.00 0.00 C ATOM 304 O GLU A 20 -10.031 -5.842 -3.289 1.00 0.00 O ATOM 305 CB GLU A 20 -10.947 -4.385 -5.839 1.00 0.00 C ATOM 306 CG GLU A 20 -10.703 -3.430 -7.016 1.00 0.00 C ATOM 307 CD GLU A 20 -11.702 -3.518 -8.158 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.864 -4.598 -8.765 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.192 -2.439 -8.568 1.00 0.00 O ATOM 0 H GLU A 20 -8.481 -5.119 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.263 -2.877 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.732 -5.414 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.990 -4.353 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.703 -2.408 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.707 -3.622 -7.414 1.00 0.00 H new ATOM 316 N ALA A 21 -10.539 -3.868 -2.322 1.00 0.00 N ATOM 317 CA ALA A 21 -10.736 -4.410 -0.986 1.00 0.00 C ATOM 318 C ALA A 21 -12.065 -3.951 -0.407 1.00 0.00 C ATOM 319 O ALA A 21 -12.562 -2.863 -0.704 1.00 0.00 O ATOM 320 CB ALA A 21 -9.580 -3.985 -0.090 1.00 0.00 C ATOM 0 H ALA A 21 -10.662 -2.857 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.759 -5.498 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.727 -4.391 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.644 -4.363 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.541 -2.897 -0.038 1.00 0.00 H new ATOM 326 N VAL A 22 -12.585 -4.769 0.498 1.00 0.00 N ATOM 327 CA VAL A 22 -13.849 -4.532 1.169 1.00 0.00 C ATOM 328 C VAL A 22 -13.746 -3.324 2.084 1.00 0.00 C ATOM 329 O VAL A 22 -14.653 -2.491 2.084 1.00 0.00 O ATOM 330 CB VAL A 22 -14.274 -5.821 1.911 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.266 -6.297 2.974 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.670 -5.696 2.528 1.00 0.00 C ATOM 0 H VAL A 22 -12.128 -5.633 0.790 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.627 -4.296 0.443 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.296 -6.587 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.638 -7.205 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.306 -6.502 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.139 -5.521 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.927 -6.624 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.679 -4.874 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.399 -5.501 1.742 1.00 0.00 H new ATOM 342 N ASP A 23 -12.634 -3.174 2.808 1.00 0.00 N ATOM 343 CA ASP A 23 -12.379 -2.093 3.747 1.00 0.00 C ATOM 344 C ASP A 23 -10.903 -1.751 3.694 1.00 0.00 C ATOM 345 O ASP A 23 -10.093 -2.583 3.260 1.00 0.00 O ATOM 346 CB ASP A 23 -12.737 -2.523 5.181 1.00 0.00 C ATOM 347 CG ASP A 23 -14.215 -2.874 5.348 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.070 -1.979 5.139 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.515 -4.058 5.610 1.00 0.00 O ATOM 0 H ASP A 23 -11.858 -3.833 2.749 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.990 -1.232 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.131 -3.386 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.480 -1.719 5.870 1.00 0.00 H new ATOM 354 N ALA A 24 -10.548 -0.562 4.190 1.00 0.00 N ATOM 355 CA ALA A 24 -9.170 -0.092 4.239 1.00 0.00 C ATOM 356 C ALA A 24 -8.324 -1.090 5.031 1.00 0.00 C ATOM 357 O ALA A 24 -7.176 -1.347 4.681 1.00 0.00 O ATOM 358 CB ALA A 24 -9.128 1.305 4.872 1.00 0.00 C ATOM 0 H ALA A 24 -11.220 0.104 4.571 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.760 -0.019 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.097 1.657 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.725 1.993 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.532 1.258 5.883 1.00 0.00 H new ATOM 364 N ALA A 25 -8.920 -1.719 6.051 1.00 0.00 N ATOM 365 CA ALA A 25 -8.267 -2.701 6.894 1.00 0.00 C ATOM 366 C ALA A 25 -7.780 -3.889 6.068 1.00 0.00 C ATOM 367 O ALA A 25 -6.678 -4.383 6.305 1.00 0.00 O ATOM 368 CB ALA A 25 -9.242 -3.118 7.992 1.00 0.00 C ATOM 0 H ALA A 25 -9.892 -1.548 6.311 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.380 -2.270 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.768 -3.858 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.520 -2.245 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.135 -3.549 7.541 1.00 0.00 H new ATOM 374 N THR A 26 -8.585 -4.373 5.122 1.00 0.00 N ATOM 375 CA THR A 26 -8.214 -5.491 4.266 1.00 0.00 C ATOM 376 C THR A 26 -7.210 -5.008 3.217 1.00 0.00 C ATOM 377 O THR A 26 -6.250 -5.720 2.925 1.00 0.00 O ATOM 378 CB THR A 26 -9.468 -6.091 3.624 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.451 -6.329 4.621 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.179 -7.407 2.908 1.00 0.00 C ATOM 0 H THR A 26 -9.514 -3.997 4.930 1.00 0.00 H new ATOM 0 HA THR A 26 -7.739 -6.277 4.853 1.00 0.00 H new ATOM 0 HB THR A 26 -9.825 -5.371 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.006 -7.092 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.099 -7.792 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.444 -7.239 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.786 -8.131 3.622 1.00 0.00 H new ATOM 388 N ALA A 27 -7.411 -3.803 2.666 1.00 0.00 N ATOM 389 CA ALA A 27 -6.512 -3.232 1.671 1.00 0.00 C ATOM 390 C ALA A 27 -5.101 -3.183 2.250 1.00 0.00 C ATOM 391 O ALA A 27 -4.150 -3.614 1.605 1.00 0.00 O ATOM 392 CB ALA A 27 -6.976 -1.824 1.282 1.00 0.00 C ATOM 0 H ALA A 27 -8.202 -3.203 2.901 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.518 -3.852 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.296 -1.409 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.982 -1.875 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.981 -1.185 2.165 1.00 0.00 H new ATOM 398 N GLU A 28 -4.987 -2.736 3.501 1.00 0.00 N ATOM 399 CA GLU A 28 -3.731 -2.617 4.216 1.00 0.00 C ATOM 400 C GLU A 28 -3.034 -3.971 4.338 1.00 0.00 C ATOM 401 O GLU A 28 -1.817 -4.033 4.199 1.00 0.00 O ATOM 402 CB GLU A 28 -3.997 -1.999 5.596 1.00 0.00 C ATOM 403 CG GLU A 28 -2.721 -1.499 6.292 1.00 0.00 C ATOM 404 CD GLU A 28 -2.880 -1.545 7.809 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.920 -1.095 8.345 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.035 -2.170 8.492 1.00 0.00 O ATOM 0 H GLU A 28 -5.792 -2.441 4.054 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.060 -1.965 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.693 -1.167 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.483 -2.740 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.872 -2.114 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.504 -0.479 5.975 1.00 0.00 H new ATOM 413 N LYS A 29 -3.765 -5.062 4.593 1.00 0.00 N ATOM 414 CA LYS A 29 -3.165 -6.396 4.711 1.00 0.00 C ATOM 415 C LYS A 29 -2.599 -6.821 3.365 1.00 0.00 C ATOM 416 O LYS A 29 -1.427 -7.190 3.279 1.00 0.00 O ATOM 417 CB LYS A 29 -4.209 -7.437 5.133 1.00 0.00 C ATOM 418 CG LYS A 29 -4.785 -7.202 6.529 1.00 0.00 C ATOM 419 CD LYS A 29 -6.075 -8.010 6.692 1.00 0.00 C ATOM 420 CE LYS A 29 -6.808 -7.531 7.935 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.025 -8.308 8.236 1.00 0.00 N ATOM 0 H LYS A 29 -4.777 -5.047 4.722 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.380 -6.342 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.024 -7.435 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.755 -8.427 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.060 -7.497 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.987 -6.141 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.708 -7.890 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.845 -9.072 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.132 -7.584 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.078 -6.483 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.475 -7.930 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.688 -8.238 7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.771 -9.305 8.389 1.00 0.00 H new ATOM 435 N VAL A 30 -3.422 -6.718 2.317 1.00 0.00 N ATOM 436 CA VAL A 30 -3.012 -7.099 0.969 1.00 0.00 C ATOM 437 C VAL A 30 -1.778 -6.299 0.568 1.00 0.00 C ATOM 438 O VAL A 30 -0.799 -6.862 0.073 1.00 0.00 O ATOM 439 CB VAL A 30 -4.202 -6.933 0.006 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.830 -6.980 -1.484 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.183 -8.073 0.284 1.00 0.00 C ATOM 0 H VAL A 30 -4.379 -6.372 2.381 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.725 -8.150 0.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.620 -5.943 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.729 -6.855 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.127 -6.178 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.369 -7.941 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.041 -7.986 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.687 -9.029 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.521 -8.018 1.319 1.00 0.00 H new ATOM 451 N PHE A 31 -1.802 -4.989 0.797 1.00 0.00 N ATOM 452 CA PHE A 31 -0.701 -4.110 0.477 1.00 0.00 C ATOM 453 C PHE A 31 0.516 -4.420 1.334 1.00 0.00 C ATOM 454 O PHE A 31 1.614 -4.424 0.785 1.00 0.00 O ATOM 455 CB PHE A 31 -1.164 -2.664 0.594 1.00 0.00 C ATOM 456 CG PHE A 31 -2.129 -2.195 -0.487 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.122 -2.740 -1.794 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.980 -1.113 -0.201 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.943 -2.200 -2.795 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.796 -0.572 -1.208 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.777 -1.113 -2.504 1.00 0.00 C ATOM 0 H PHE A 31 -2.600 -4.510 1.215 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.384 -4.274 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.641 -2.531 1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.287 -2.017 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.480 -3.578 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.006 -0.697 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.932 -2.622 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.442 0.265 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.405 -0.691 -3.275 1.00 0.00 H new ATOM 471 N LYS A 32 0.368 -4.712 2.632 1.00 0.00 N ATOM 472 CA LYS A 32 1.497 -5.054 3.502 1.00 0.00 C ATOM 473 C LYS A 32 2.232 -6.223 2.893 1.00 0.00 C ATOM 474 O LYS A 32 3.450 -6.169 2.745 1.00 0.00 O ATOM 475 CB LYS A 32 1.049 -5.383 4.936 1.00 0.00 C ATOM 476 CG LYS A 32 1.268 -4.192 5.884 1.00 0.00 C ATOM 477 CD LYS A 32 2.007 -4.636 7.148 1.00 0.00 C ATOM 478 CE LYS A 32 2.495 -3.402 7.905 1.00 0.00 C ATOM 479 NZ LYS A 32 3.312 -3.766 9.075 1.00 0.00 N ATOM 0 H LYS A 32 -0.535 -4.718 3.106 1.00 0.00 H new ATOM 0 HA LYS A 32 2.155 -4.189 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.006 -5.658 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.604 -6.247 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.841 -3.416 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.307 -3.754 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.346 -5.228 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.851 -5.273 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.080 -2.772 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.638 -2.812 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.624 -2.902 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.746 -4.346 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.143 -4.307 8.763 1.00 0.00 H new ATOM 493 N GLN A 33 1.493 -7.257 2.506 1.00 0.00 N ATOM 494 CA GLN A 33 2.070 -8.430 1.912 1.00 0.00 C ATOM 495 C GLN A 33 2.735 -8.060 0.592 1.00 0.00 C ATOM 496 O GLN A 33 3.837 -8.528 0.333 1.00 0.00 O ATOM 497 CB GLN A 33 0.970 -9.473 1.694 1.00 0.00 C ATOM 498 CG GLN A 33 1.582 -10.863 1.529 1.00 0.00 C ATOM 499 CD GLN A 33 1.883 -11.462 2.897 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.983 -11.919 3.597 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.110 -11.382 3.372 1.00 0.00 N ATOM 0 H GLN A 33 0.478 -7.293 2.601 1.00 0.00 H new ATOM 0 HA GLN A 33 2.829 -8.850 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.283 -9.469 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.387 -9.217 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.896 -11.510 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.497 -10.800 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.858 -11.003 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.312 -11.699 4.320 1.00 0.00 H new ATOM 510 N TYR A 34 2.088 -7.220 -0.221 1.00 0.00 N ATOM 511 CA TYR A 34 2.634 -6.825 -1.518 1.00 0.00 C ATOM 512 C TYR A 34 3.978 -6.122 -1.339 1.00 0.00 C ATOM 513 O TYR A 34 4.946 -6.397 -2.038 1.00 0.00 O ATOM 514 CB TYR A 34 1.632 -5.927 -2.257 1.00 0.00 C ATOM 515 CG TYR A 34 1.869 -5.784 -3.750 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.693 -4.759 -4.252 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.229 -6.660 -4.646 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.852 -4.590 -5.640 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.368 -6.484 -6.035 1.00 0.00 C ATOM 520 CZ TYR A 34 2.168 -5.436 -6.543 1.00 0.00 C ATOM 521 OH TYR A 34 2.289 -5.277 -7.888 1.00 0.00 O ATOM 0 H TYR A 34 1.184 -6.801 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 34 2.802 -7.718 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.629 -6.324 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.656 -4.935 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.206 -4.099 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.628 -7.472 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.499 -3.811 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.861 -7.152 -6.715 1.00 0.00 H new ATOM 0 HH TYR A 34 1.746 -5.952 -8.347 1.00 0.00 H new ATOM 531 N ALA A 35 4.057 -5.198 -0.389 1.00 0.00 N ATOM 532 CA ALA A 35 5.269 -4.440 -0.120 1.00 0.00 C ATOM 533 C ALA A 35 6.370 -5.352 0.398 1.00 0.00 C ATOM 534 O ALA A 35 7.470 -5.341 -0.148 1.00 0.00 O ATOM 535 CB ALA A 35 4.952 -3.335 0.864 1.00 0.00 C ATOM 0 H ALA A 35 3.276 -4.953 0.219 1.00 0.00 H new ATOM 0 HA ALA A 35 5.634 -3.992 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.856 -2.762 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.194 -2.677 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.578 -3.770 1.791 1.00 0.00 H new ATOM 541 N ASN A 36 6.058 -6.180 1.396 1.00 0.00 N ATOM 542 CA ASN A 36 7.002 -7.133 1.979 1.00 0.00 C ATOM 543 C ASN A 36 7.514 -8.081 0.891 1.00 0.00 C ATOM 544 O ASN A 36 8.668 -8.497 0.949 1.00 0.00 O ATOM 545 CB ASN A 36 6.377 -7.900 3.167 1.00 0.00 C ATOM 546 CG ASN A 36 6.331 -9.420 3.007 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.033 -10.154 3.690 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.461 -9.931 2.153 1.00 0.00 N ATOM 0 H ASN A 36 5.134 -6.208 1.826 1.00 0.00 H new ATOM 0 HA ASN A 36 7.851 -6.582 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.940 -7.662 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.361 -7.536 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.372 -10.943 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.879 -9.313 1.587 1.00 0.00 H new ATOM 555 N ASP A 37 6.685 -8.402 -0.109 1.00 0.00 N ATOM 556 CA ASP A 37 7.073 -9.289 -1.202 1.00 0.00 C ATOM 557 C ASP A 37 8.169 -8.623 -2.033 1.00 0.00 C ATOM 558 O ASP A 37 9.088 -9.289 -2.504 1.00 0.00 O ATOM 559 CB ASP A 37 5.878 -9.669 -2.081 1.00 0.00 C ATOM 560 CG ASP A 37 6.226 -10.764 -3.095 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.161 -11.564 -2.866 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.512 -10.845 -4.123 1.00 0.00 O ATOM 0 H ASP A 37 5.729 -8.053 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 37 7.456 -10.215 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.059 -10.010 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.524 -8.785 -2.612 1.00 0.00 H new ATOM 567 N ASN A 38 8.077 -7.301 -2.206 1.00 0.00 N ATOM 568 CA ASN A 38 9.060 -6.493 -2.927 1.00 0.00 C ATOM 569 C ASN A 38 10.219 -6.112 -1.987 1.00 0.00 C ATOM 570 O ASN A 38 11.179 -5.474 -2.420 1.00 0.00 O ATOM 571 CB ASN A 38 8.441 -5.186 -3.452 1.00 0.00 C ATOM 572 CG ASN A 38 7.467 -5.343 -4.602 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.829 -5.260 -5.772 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.200 -5.511 -4.290 1.00 0.00 N ATOM 0 H ASN A 38 7.299 -6.752 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 38 9.414 -7.092 -3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.927 -4.691 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.247 -4.524 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.497 -5.575 -5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.920 -5.578 -3.311 1.00 0.00 H new ATOM 581 N GLY A 39 10.146 -6.453 -0.697 1.00 0.00 N ATOM 582 CA GLY A 39 11.157 -6.148 0.302 1.00 0.00 C ATOM 583 C GLY A 39 11.115 -4.694 0.731 1.00 0.00 C ATOM 584 O GLY A 39 12.170 -4.099 0.954 1.00 0.00 O ATOM 0 H GLY A 39 9.352 -6.966 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.010 -6.787 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.144 -6.379 -0.099 1.00 0.00 H new ATOM 588 N VAL A 40 9.918 -4.116 0.817 1.00 0.00 N ATOM 589 CA VAL A 40 9.689 -2.745 1.229 1.00 0.00 C ATOM 590 C VAL A 40 8.929 -2.801 2.533 1.00 0.00 C ATOM 591 O VAL A 40 7.859 -3.411 2.611 1.00 0.00 O ATOM 592 CB VAL A 40 8.806 -1.983 0.230 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.594 -0.526 0.672 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.343 -2.028 -1.202 1.00 0.00 C ATOM 0 H VAL A 40 9.056 -4.612 0.593 1.00 0.00 H new ATOM 0 HA VAL A 40 10.650 -2.237 1.304 1.00 0.00 H new ATOM 0 HB VAL A 40 7.845 -2.498 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.965 -0.013 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.108 -0.509 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.558 -0.022 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.675 -1.472 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.337 -1.581 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.401 -3.064 -1.536 1.00 0.00 H new ATOM 604 N ASP A 41 9.468 -2.144 3.546 1.00 0.00 N ATOM 605 CA ASP A 41 8.820 -2.066 4.834 1.00 0.00 C ATOM 606 C ASP A 41 9.354 -0.827 5.520 1.00 0.00 C ATOM 607 O ASP A 41 10.515 -0.788 5.927 1.00 0.00 O ATOM 608 CB ASP A 41 9.047 -3.312 5.661 1.00 0.00 C ATOM 609 CG ASP A 41 8.282 -3.201 6.981 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.144 -2.665 6.989 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.840 -3.679 7.991 1.00 0.00 O ATOM 0 H ASP A 41 10.361 -1.654 3.495 1.00 0.00 H new ATOM 0 HA ASP A 41 7.739 -1.999 4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.715 -4.192 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.112 -3.442 5.856 1.00 0.00 H new ATOM 616 N GLY A 42 8.532 0.211 5.553 1.00 0.00 N ATOM 617 CA GLY A 42 8.840 1.489 6.152 1.00 0.00 C ATOM 618 C GLY A 42 7.653 2.025 6.927 1.00 0.00 C ATOM 619 O GLY A 42 6.824 1.266 7.415 1.00 0.00 O ATOM 0 H GLY A 42 7.597 0.179 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.697 1.386 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.123 2.200 5.376 1.00 0.00 H new ATOM 623 N GLU A 43 7.595 3.342 7.086 1.00 0.00 N ATOM 624 CA GLU A 43 6.518 4.016 7.797 1.00 0.00 C ATOM 625 C GLU A 43 5.317 4.082 6.848 1.00 0.00 C ATOM 626 O GLU A 43 5.385 4.734 5.801 1.00 0.00 O ATOM 627 CB GLU A 43 6.980 5.397 8.308 1.00 0.00 C ATOM 628 CG GLU A 43 6.001 5.988 9.340 1.00 0.00 C ATOM 629 CD GLU A 43 6.494 7.311 9.950 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.221 7.278 10.974 1.00 0.00 O ATOM 631 OE2 GLU A 43 6.149 8.394 9.418 1.00 0.00 O ATOM 0 H GLU A 43 8.303 3.978 6.720 1.00 0.00 H new ATOM 0 HA GLU A 43 6.224 3.468 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.969 5.305 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.076 6.082 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.035 6.152 8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.843 5.263 10.139 1.00 0.00 H new ATOM 638 N TRP A 44 4.260 3.338 7.180 1.00 0.00 N ATOM 639 CA TRP A 44 3.021 3.245 6.419 1.00 0.00 C ATOM 640 C TRP A 44 2.100 4.432 6.762 1.00 0.00 C ATOM 641 O TRP A 44 1.928 4.749 7.939 1.00 0.00 O ATOM 642 CB TRP A 44 2.332 1.904 6.733 1.00 0.00 C ATOM 643 CG TRP A 44 3.012 0.661 6.217 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.122 0.096 6.739 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.687 -0.168 5.058 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.525 -0.983 5.982 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.692 -1.168 4.906 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.661 -0.161 4.095 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.706 -2.064 3.832 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.667 -1.043 3.003 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.691 -1.985 2.866 1.00 0.00 C ATOM 0 H TRP A 44 4.248 2.762 8.022 1.00 0.00 H new ATOM 0 HA TRP A 44 3.240 3.286 5.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.235 1.816 7.815 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.322 1.935 6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.626 0.443 7.629 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.334 -1.567 6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.847 0.542 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.486 -2.806 3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.878 -0.994 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.701 -2.652 2.017 1.00 0.00 H new ATOM 662 N THR A 45 1.443 5.024 5.766 1.00 0.00 N ATOM 663 CA THR A 45 0.521 6.157 5.879 1.00 0.00 C ATOM 664 C THR A 45 -0.800 5.851 5.150 1.00 0.00 C ATOM 665 O THR A 45 -0.886 4.839 4.449 1.00 0.00 O ATOM 666 CB THR A 45 1.193 7.424 5.320 1.00 0.00 C ATOM 667 OG1 THR A 45 1.259 7.330 3.914 1.00 0.00 O ATOM 668 CG2 THR A 45 2.617 7.638 5.839 1.00 0.00 C ATOM 0 H THR A 45 1.545 4.708 4.801 1.00 0.00 H new ATOM 0 HA THR A 45 0.282 6.328 6.929 1.00 0.00 H new ATOM 0 HB THR A 45 0.586 8.267 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.685 8.135 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.030 8.548 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.598 7.730 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.238 6.788 5.558 1.00 0.00 H new ATOM 676 N TYR A 46 -1.831 6.693 5.265 1.00 0.00 N ATOM 677 CA TYR A 46 -3.119 6.492 4.603 1.00 0.00 C ATOM 678 C TYR A 46 -3.659 7.844 4.140 1.00 0.00 C ATOM 679 O TYR A 46 -3.662 8.804 4.907 1.00 0.00 O ATOM 680 CB TYR A 46 -4.094 5.782 5.556 1.00 0.00 C ATOM 681 CG TYR A 46 -5.484 5.543 4.985 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.643 4.813 3.792 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.621 6.050 5.644 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.920 4.620 3.235 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.904 5.840 5.108 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.059 5.137 3.891 1.00 0.00 C ATOM 687 OH TYR A 46 -9.290 4.993 3.326 1.00 0.00 O ATOM 0 H TYR A 46 -1.792 7.543 5.828 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.998 5.854 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.665 4.822 5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.187 6.375 6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.776 4.397 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.507 6.602 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.029 4.078 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.773 6.217 5.627 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.897 5.674 3.685 1.00 0.00 H new ATOM 697 N ASP A 47 -4.128 7.917 2.899 1.00 0.00 N ATOM 698 CA ASP A 47 -4.686 9.082 2.228 1.00 0.00 C ATOM 699 C ASP A 47 -6.088 8.681 1.776 1.00 0.00 C ATOM 700 O ASP A 47 -6.303 8.329 0.611 1.00 0.00 O ATOM 701 CB ASP A 47 -3.845 9.505 1.011 1.00 0.00 C ATOM 702 CG ASP A 47 -2.477 10.090 1.346 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.473 9.344 1.401 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.367 11.332 1.436 1.00 0.00 O ATOM 0 H ASP A 47 -4.127 7.099 2.290 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.699 9.935 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.705 8.638 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.408 10.241 0.437 1.00 0.00 H new ATOM 709 N ASP A 48 -7.057 8.721 2.691 1.00 0.00 N ATOM 710 CA ASP A 48 -8.462 8.366 2.445 1.00 0.00 C ATOM 711 C ASP A 48 -9.057 9.107 1.253 1.00 0.00 C ATOM 712 O ASP A 48 -9.855 8.561 0.488 1.00 0.00 O ATOM 713 CB ASP A 48 -9.298 8.707 3.673 1.00 0.00 C ATOM 714 CG ASP A 48 -10.684 8.075 3.558 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.581 8.724 2.978 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.900 6.954 4.080 1.00 0.00 O ATOM 0 H ASP A 48 -6.884 9.010 3.654 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.481 7.298 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.799 8.347 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.390 9.789 3.771 1.00 0.00 H new ATOM 721 N ALA A 49 -8.579 10.337 1.067 1.00 0.00 N ATOM 722 CA ALA A 49 -8.940 11.278 0.012 1.00 0.00 C ATOM 723 C ALA A 49 -8.869 10.662 -1.391 1.00 0.00 C ATOM 724 O ALA A 49 -9.522 11.138 -2.321 1.00 0.00 O ATOM 725 CB ALA A 49 -7.951 12.437 0.081 1.00 0.00 C ATOM 0 H ALA A 49 -7.878 10.728 1.697 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.971 11.592 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.188 13.165 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.018 12.914 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.939 12.061 -0.071 1.00 0.00 H new ATOM 731 N THR A 50 -7.982 9.690 -1.581 1.00 0.00 N ATOM 732 CA THR A 50 -7.763 8.946 -2.813 1.00 0.00 C ATOM 733 C THR A 50 -7.627 7.457 -2.426 1.00 0.00 C ATOM 734 O THR A 50 -7.103 6.649 -3.191 1.00 0.00 O ATOM 735 CB THR A 50 -6.584 9.579 -3.585 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.315 8.862 -4.773 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.320 9.719 -2.726 1.00 0.00 C ATOM 0 H THR A 50 -7.360 9.384 -0.833 1.00 0.00 H new ATOM 0 HA THR A 50 -8.592 8.997 -3.519 1.00 0.00 H new ATOM 0 HB THR A 50 -6.891 10.590 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.503 7.911 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.525 10.169 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.533 10.353 -1.865 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.003 8.734 -2.382 1.00 0.00 H new ATOM 745 N LYS A 51 -8.081 7.081 -1.212 1.00 0.00 N ATOM 746 CA LYS A 51 -8.040 5.757 -0.593 1.00 0.00 C ATOM 747 C LYS A 51 -6.743 5.042 -0.976 1.00 0.00 C ATOM 748 O LYS A 51 -6.729 3.923 -1.495 1.00 0.00 O ATOM 749 CB LYS A 51 -9.348 4.992 -0.836 1.00 0.00 C ATOM 750 CG LYS A 51 -9.802 5.037 -2.299 1.00 0.00 C ATOM 751 CD LYS A 51 -10.937 4.046 -2.589 1.00 0.00 C ATOM 752 CE LYS A 51 -12.221 4.432 -1.842 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.801 5.690 -2.353 1.00 0.00 N ATOM 0 H LYS A 51 -8.522 7.762 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.998 5.836 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.217 3.953 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.131 5.412 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.133 6.046 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.954 4.814 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.132 4.018 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.630 3.042 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.952 3.630 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.004 4.538 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.761 5.810 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.208 6.491 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.844 5.656 -3.392 1.00 0.00 H new ATOM 767 N THR A 52 -5.649 5.753 -0.742 1.00 0.00 N ATOM 768 CA THR A 52 -4.307 5.318 -1.041 1.00 0.00 C ATOM 769 C THR A 52 -3.536 5.108 0.258 1.00 0.00 C ATOM 770 O THR A 52 -3.848 5.701 1.286 1.00 0.00 O ATOM 771 CB THR A 52 -3.662 6.397 -1.928 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.358 6.558 -3.150 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.214 6.098 -2.307 1.00 0.00 C ATOM 0 H THR A 52 -5.681 6.682 -0.323 1.00 0.00 H new ATOM 0 HA THR A 52 -4.301 4.366 -1.572 1.00 0.00 H new ATOM 0 HB THR A 52 -3.705 7.296 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.322 6.583 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.828 6.903 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.610 6.019 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.168 5.158 -2.857 1.00 0.00 H new ATOM 781 N PHE A 53 -2.496 4.295 0.191 1.00 0.00 N ATOM 782 CA PHE A 53 -1.580 3.948 1.259 1.00 0.00 C ATOM 783 C PHE A 53 -0.176 4.187 0.732 1.00 0.00 C ATOM 784 O PHE A 53 0.061 3.967 -0.456 1.00 0.00 O ATOM 785 CB PHE A 53 -1.729 2.464 1.570 1.00 0.00 C ATOM 786 CG PHE A 53 -2.971 2.135 2.352 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.947 2.142 3.757 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.136 1.777 1.660 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.083 1.737 4.476 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.275 1.373 2.377 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.239 1.338 3.784 1.00 0.00 C ATOM 0 H PHE A 53 -2.253 3.825 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.778 4.536 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.740 1.904 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.857 2.130 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.058 2.458 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.158 1.811 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.068 1.732 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.175 1.090 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.105 1.002 4.335 1.00 0.00 H new ATOM 801 N THR A 54 0.757 4.623 1.574 1.00 0.00 N ATOM 802 CA THR A 54 2.129 4.846 1.147 1.00 0.00 C ATOM 803 C THR A 54 3.039 4.240 2.202 1.00 0.00 C ATOM 804 O THR A 54 2.743 4.383 3.385 1.00 0.00 O ATOM 805 CB THR A 54 2.401 6.345 0.983 1.00 0.00 C ATOM 806 OG1 THR A 54 1.317 6.992 0.338 1.00 0.00 O ATOM 807 CG2 THR A 54 3.718 6.616 0.259 1.00 0.00 C ATOM 0 H THR A 54 0.584 4.828 2.558 1.00 0.00 H new ATOM 0 HA THR A 54 2.312 4.378 0.180 1.00 0.00 H new ATOM 0 HB THR A 54 2.498 6.765 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.514 7.948 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.868 7.692 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.541 6.183 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.686 6.167 -0.734 1.00 0.00 H new ATOM 815 N VAL A 55 4.108 3.559 1.812 1.00 0.00 N ATOM 816 CA VAL A 55 5.066 2.958 2.734 1.00 0.00 C ATOM 817 C VAL A 55 6.407 3.610 2.421 1.00 0.00 C ATOM 818 O VAL A 55 6.928 3.431 1.319 1.00 0.00 O ATOM 819 CB VAL A 55 5.031 1.421 2.668 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.193 0.828 1.270 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.093 0.823 3.598 1.00 0.00 C ATOM 0 H VAL A 55 4.339 3.405 0.830 1.00 0.00 H new ATOM 0 HA VAL A 55 4.827 3.147 3.781 1.00 0.00 H new ATOM 0 HB VAL A 55 4.026 1.151 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.155 -0.260 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.388 1.185 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.152 1.135 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.056 -0.265 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.080 1.169 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.899 1.139 4.623 1.00 0.00 H new ATOM 831 N THR A 56 6.932 4.400 3.357 1.00 0.00 N ATOM 832 CA THR A 56 8.195 5.099 3.173 1.00 0.00 C ATOM 833 C THR A 56 9.325 4.366 3.899 1.00 0.00 C ATOM 834 O THR A 56 9.466 4.471 5.125 1.00 0.00 O ATOM 835 CB THR A 56 8.105 6.562 3.624 1.00 0.00 C ATOM 836 OG1 THR A 56 6.786 7.087 3.512 1.00 0.00 O ATOM 837 CG2 THR A 56 9.069 7.411 2.791 1.00 0.00 C ATOM 0 H THR A 56 6.492 4.571 4.261 1.00 0.00 H new ATOM 0 HA THR A 56 8.419 5.105 2.106 1.00 0.00 H new ATOM 0 HB THR A 56 8.379 6.597 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.779 8.020 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.006 8.451 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.087 7.049 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.800 7.338 1.737 1.00 0.00 H new ATOM 845 N GLU A 57 10.053 3.531 3.161 1.00 0.00 N ATOM 846 CA GLU A 57 11.195 2.765 3.647 1.00 0.00 C ATOM 847 C GLU A 57 12.233 3.802 4.059 1.00 0.00 C ATOM 848 O GLU A 57 12.407 4.783 3.311 1.00 0.00 O ATOM 849 CB GLU A 57 11.733 1.872 2.521 1.00 0.00 C ATOM 850 CG GLU A 57 12.523 0.642 2.958 1.00 0.00 C ATOM 851 CD GLU A 57 13.604 0.279 1.916 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.349 0.435 0.699 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.736 -0.084 2.330 1.00 0.00 O ATOM 0 H GLU A 57 9.856 3.364 2.174 1.00 0.00 H new ATOM 0 HA GLU A 57 10.935 2.112 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.891 1.541 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.371 2.478 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.992 0.831 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.845 -0.201 3.093 1.00 0.00 H new TER 860 GLU A 57