USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.185 K(o=0.21,f=-1) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.0258 K(o=0.21,f=-2.2!) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.01 K(o=2.2,f=-1.7) USER MOD Set 2.2: A 31 GLN : amide:sc= 1.23 K(o=2.2,f=-0.61) USER MOD Single : A 17 HIS : no HD1:sc= 0.974 K(o=0.97,f=-4.2!) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 1.16 (180deg=-0.745) USER MOD Single : A 25 GLN : amide:sc= 0.711 K(o=0.71,f=-1.1) USER MOD Single : A 28 SER OG : rot -50:sc= 1.14 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= -0.918 (180deg=-2.99!) USER MOD Single : A 37 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.3) USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.472 USER MOD Single : A 41 SER OG : rot 180:sc= 0.112 USER MOD Single : A 42 LYS NZ :NH3+ -152:sc= 1.36 (180deg=1.23) USER MOD Single : A 44 MET CE :methyl -169:sc= -0.0147 (180deg=-0.233) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -56:sc= -0.757! USER MOD Single : A 51 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.26) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 166:sc= -0.03 (180deg=-0.274) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 68 ASN : amide:sc= 0.674 K(o=0.67,f=-6.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 75 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.4) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.52 (180deg=-0.562) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0699 K(o=-0.07,f=-0.69) USER MOD Single : A 90 GLN : amide:sc= 0.258 K(o=0.26,f=-3.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.143 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.915 15.040 -0.062 1.00 10.00 N ATOM 2 CA ASP A 16 10.115 15.000 1.156 1.00 10.00 C ATOM 3 C ASP A 16 9.097 13.865 1.065 1.00 10.00 C ATOM 4 O ASP A 16 9.148 13.057 0.135 1.00 10.00 O ATOM 5 CB ASP A 16 9.406 16.344 1.375 1.00 10.00 C ATOM 6 CG ASP A 16 9.264 16.703 2.843 1.00 10.00 C ATOM 7 OD1 ASP A 16 8.350 16.168 3.505 1.00 10.00 O ATOM 8 OD2 ASP A 16 10.057 17.534 3.343 1.00 10.00 O ATOM 0 HA ASP A 16 10.771 14.819 2.008 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.963 17.130 0.866 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.417 16.307 0.918 1.00 10.00 H new ATOM 13 N HIS A 17 8.171 13.812 2.009 1.00 10.00 N ATOM 14 CA HIS A 17 7.159 12.763 2.022 1.00 10.00 C ATOM 15 C HIS A 17 5.784 13.333 1.712 1.00 10.00 C ATOM 16 O HIS A 17 5.369 14.336 2.295 1.00 10.00 O ATOM 17 CB HIS A 17 7.129 12.058 3.381 1.00 10.00 C ATOM 18 CG HIS A 17 8.013 10.849 3.465 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.959 10.719 4.457 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.046 9.746 2.676 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.540 9.548 4.251 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.021 8.927 3.187 1.00 10.00 N ATOM 0 H HIS A 17 8.098 14.481 2.776 1.00 10.00 H new ATOM 0 HA HIS A 17 7.421 12.038 1.251 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.428 12.767 4.153 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.104 11.761 3.601 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.426 9.551 1.814 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.333 9.145 4.864 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.298 8.015 2.823 1.00 10.00 H new ATOM 30 N ILE A 18 5.082 12.685 0.799 1.00 10.00 N ATOM 31 CA ILE A 18 3.746 13.110 0.413 1.00 10.00 C ATOM 32 C ILE A 18 2.724 12.100 0.936 1.00 10.00 C ATOM 33 O ILE A 18 2.986 10.896 0.957 1.00 10.00 O ATOM 34 CB ILE A 18 3.637 13.278 -1.125 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.193 13.555 -1.552 1.00 10.00 C ATOM 36 CG2 ILE A 18 4.186 12.056 -1.846 1.00 10.00 C ATOM 37 CD1 ILE A 18 2.062 13.952 -3.008 1.00 10.00 C ATOM 0 H ILE A 18 5.417 11.856 0.307 1.00 10.00 H new ATOM 0 HA ILE A 18 3.538 14.084 0.856 1.00 10.00 H new ATOM 0 HB ILE A 18 4.241 14.140 -1.407 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.591 12.665 -1.370 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.783 14.349 -0.928 1.00 10.00 H new ATOM 0 HG21 ILE A 18 4.098 12.199 -2.923 1.00 10.00 H new ATOM 0 HG22 ILE A 18 5.235 11.919 -1.583 1.00 10.00 H new ATOM 0 HG23 ILE A 18 3.619 11.173 -1.550 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.013 14.133 -3.243 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.637 14.860 -3.191 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.441 13.149 -3.640 1.00 10.00 H new ATOM 49 N ASN A 19 1.574 12.587 1.380 1.00 10.00 N ATOM 50 CA ASN A 19 0.545 11.715 1.927 1.00 10.00 C ATOM 51 C ASN A 19 -0.638 11.587 0.976 1.00 10.00 C ATOM 52 O ASN A 19 -1.069 12.565 0.362 1.00 10.00 O ATOM 53 CB ASN A 19 0.073 12.234 3.291 1.00 10.00 C ATOM 54 CG ASN A 19 1.092 12.001 4.391 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.103 10.954 5.039 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.951 12.982 4.622 1.00 10.00 N ATOM 0 H ASN A 19 1.331 13.578 1.372 1.00 10.00 H new ATOM 0 HA ASN A 19 0.983 10.725 2.056 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.137 13.301 3.216 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.863 11.743 3.558 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.651 12.884 5.357 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.912 13.836 4.065 1.00 10.00 H new ATOM 63 N LEU A 20 -1.136 10.368 0.842 1.00 10.00 N ATOM 64 CA LEU A 20 -2.275 10.084 -0.015 1.00 10.00 C ATOM 65 C LEU A 20 -3.398 9.458 0.803 1.00 10.00 C ATOM 66 O LEU A 20 -3.173 9.014 1.929 1.00 10.00 O ATOM 67 CB LEU A 20 -1.868 9.134 -1.141 1.00 10.00 C ATOM 68 CG LEU A 20 -0.697 9.605 -2.005 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.226 8.478 -2.912 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.089 10.826 -2.824 1.00 10.00 C ATOM 0 H LEU A 20 -0.763 9.550 1.323 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.625 11.020 -0.451 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.610 8.169 -0.704 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.731 8.971 -1.786 1.00 10.00 H new ATOM 0 HG LEU A 20 0.126 9.889 -1.349 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.608 8.826 -3.522 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.097 7.633 -2.304 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.045 8.167 -3.561 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.242 11.144 -3.431 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.927 10.574 -3.474 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.380 11.635 -2.154 1.00 10.00 H new ATOM 82 N LYS A 21 -4.598 9.425 0.247 1.00 10.00 N ATOM 83 CA LYS A 21 -5.740 8.844 0.941 1.00 10.00 C ATOM 84 C LYS A 21 -6.366 7.722 0.124 1.00 10.00 C ATOM 85 O LYS A 21 -6.522 7.833 -1.093 1.00 10.00 O ATOM 86 CB LYS A 21 -6.791 9.914 1.233 1.00 10.00 C ATOM 87 CG LYS A 21 -6.411 10.853 2.362 1.00 10.00 C ATOM 88 CD LYS A 21 -7.323 12.068 2.403 1.00 10.00 C ATOM 89 CE LYS A 21 -7.149 12.850 3.693 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.873 14.144 3.654 1.00 10.00 N ATOM 0 H LYS A 21 -4.808 9.792 -0.681 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.379 8.429 1.882 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.962 10.498 0.329 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.734 9.426 1.480 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.466 10.323 3.313 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.378 11.176 2.237 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.108 12.715 1.552 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.361 11.749 2.307 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -7.513 12.255 4.531 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -6.089 13.032 3.868 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.207 14.920 3.845 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.298 14.276 2.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.622 14.145 4.376 1.00 10.00 H new ATOM 104 N VAL A 22 -6.697 6.632 0.796 1.00 10.00 N ATOM 105 CA VAL A 22 -7.327 5.488 0.153 1.00 10.00 C ATOM 106 C VAL A 22 -8.829 5.502 0.427 1.00 10.00 C ATOM 107 O VAL A 22 -9.254 5.538 1.584 1.00 10.00 O ATOM 108 CB VAL A 22 -6.718 4.160 0.652 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.465 2.963 0.080 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.244 4.089 0.289 1.00 10.00 C ATOM 0 H VAL A 22 -6.538 6.514 1.797 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.149 5.562 -0.920 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.816 4.128 1.737 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.013 2.042 0.449 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.509 3.004 0.389 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.408 2.984 -1.008 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.826 3.148 0.646 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.133 4.148 -0.794 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.714 4.921 0.754 1.00 10.00 H new ATOM 120 N ALA A 23 -9.625 5.489 -0.632 1.00 10.00 N ATOM 121 CA ALA A 23 -11.073 5.516 -0.498 1.00 10.00 C ATOM 122 C ALA A 23 -11.661 4.114 -0.491 1.00 10.00 C ATOM 123 O ALA A 23 -11.735 3.450 -1.529 1.00 10.00 O ATOM 124 CB ALA A 23 -11.696 6.332 -1.618 1.00 10.00 C ATOM 0 H ALA A 23 -9.291 5.460 -1.595 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.304 5.984 0.459 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.780 6.341 -1.502 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.318 7.354 -1.578 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.438 5.887 -2.579 1.00 10.00 H new ATOM 130 N GLY A 24 -12.061 3.662 0.686 1.00 10.00 N ATOM 131 CA GLY A 24 -12.671 2.361 0.807 1.00 10.00 C ATOM 132 C GLY A 24 -14.167 2.459 0.613 1.00 10.00 C ATOM 133 O GLY A 24 -14.745 3.532 0.789 1.00 10.00 O ATOM 0 H GLY A 24 -11.973 4.177 1.562 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.246 1.683 0.067 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.452 1.940 1.788 1.00 10.00 H new ATOM 137 N GLN A 25 -14.802 1.356 0.248 1.00 10.00 N ATOM 138 CA GLN A 25 -16.244 1.355 0.030 1.00 10.00 C ATOM 139 C GLN A 25 -16.989 1.075 1.330 1.00 10.00 C ATOM 140 O GLN A 25 -18.218 1.142 1.385 1.00 10.00 O ATOM 141 CB GLN A 25 -16.625 0.319 -1.031 1.00 10.00 C ATOM 142 CG GLN A 25 -15.887 0.486 -2.350 1.00 10.00 C ATOM 143 CD GLN A 25 -15.953 1.901 -2.898 1.00 10.00 C ATOM 144 OE1 GLN A 25 -16.922 2.629 -2.672 1.00 10.00 O ATOM 145 NE2 GLN A 25 -14.923 2.297 -3.627 1.00 10.00 N ATOM 0 H GLN A 25 -14.348 0.455 0.097 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.533 2.344 -0.326 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.426 -0.678 -0.639 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.697 0.381 -1.216 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.843 0.205 -2.213 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.308 -0.201 -3.084 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.140 1.664 -3.791 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -14.911 3.236 -4.026 1.00 10.00 H new ATOM 154 N ASP A 26 -16.237 0.762 2.376 1.00 10.00 N ATOM 155 CA ASP A 26 -16.817 0.474 3.681 1.00 10.00 C ATOM 156 C ASP A 26 -16.719 1.692 4.596 1.00 10.00 C ATOM 157 O ASP A 26 -17.276 1.707 5.695 1.00 10.00 O ATOM 158 CB ASP A 26 -16.109 -0.718 4.330 1.00 10.00 C ATOM 159 CG ASP A 26 -14.720 -0.370 4.826 1.00 10.00 C ATOM 160 OD1 ASP A 26 -13.972 0.309 4.091 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.367 -0.779 5.951 1.00 10.00 O ATOM 0 H ASP A 26 -15.219 0.701 2.346 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.869 0.227 3.536 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.708 -1.082 5.165 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.040 -1.532 3.608 1.00 10.00 H new ATOM 166 N GLY A 27 -15.996 2.707 4.141 1.00 10.00 N ATOM 167 CA GLY A 27 -15.844 3.918 4.922 1.00 10.00 C ATOM 168 C GLY A 27 -14.464 4.063 5.535 1.00 10.00 C ATOM 169 O GLY A 27 -14.129 5.119 6.067 1.00 10.00 O ATOM 0 H GLY A 27 -15.512 2.713 3.243 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.045 4.780 4.286 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.590 3.927 5.716 1.00 10.00 H new ATOM 173 N SER A 28 -13.658 3.012 5.469 1.00 10.00 N ATOM 174 CA SER A 28 -12.314 3.061 6.033 1.00 10.00 C ATOM 175 C SER A 28 -11.377 3.832 5.100 1.00 10.00 C ATOM 176 O SER A 28 -11.414 3.660 3.876 1.00 10.00 O ATOM 177 CB SER A 28 -11.787 1.643 6.284 1.00 10.00 C ATOM 178 OG SER A 28 -11.675 0.902 5.080 1.00 10.00 O ATOM 0 H SER A 28 -13.907 2.123 5.035 1.00 10.00 H new ATOM 0 HA SER A 28 -12.353 3.583 6.989 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.812 1.698 6.769 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.456 1.123 6.970 1.00 10.00 H new ATOM 0 HG SER A 28 -12.513 0.968 4.576 1.00 10.00 H new ATOM 184 N VAL A 29 -10.562 4.699 5.682 1.00 10.00 N ATOM 185 CA VAL A 29 -9.613 5.500 4.920 1.00 10.00 C ATOM 186 C VAL A 29 -8.196 5.271 5.431 1.00 10.00 C ATOM 187 O VAL A 29 -7.949 5.295 6.639 1.00 10.00 O ATOM 188 CB VAL A 29 -9.963 7.008 4.990 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.108 7.466 6.434 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.919 7.846 4.261 1.00 10.00 C ATOM 0 H VAL A 29 -10.539 4.867 6.688 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.674 5.185 3.878 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.921 7.152 4.490 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.354 8.528 6.456 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.904 6.899 6.917 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.170 7.299 6.964 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.189 8.900 4.326 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.943 7.692 4.721 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.878 7.546 3.214 1.00 10.00 H new ATOM 200 N VAL A 30 -7.275 5.021 4.514 1.00 10.00 N ATOM 201 CA VAL A 30 -5.891 4.785 4.887 1.00 10.00 C ATOM 202 C VAL A 30 -4.977 5.874 4.337 1.00 10.00 C ATOM 203 O VAL A 30 -4.982 6.164 3.141 1.00 10.00 O ATOM 204 CB VAL A 30 -5.392 3.402 4.408 1.00 10.00 C ATOM 205 CG1 VAL A 30 -3.930 3.194 4.766 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.241 2.291 5.003 1.00 10.00 C ATOM 0 H VAL A 30 -7.460 4.977 3.512 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.855 4.806 5.976 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.486 3.371 3.322 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.606 2.213 4.417 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.326 3.966 4.290 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -3.808 3.253 5.848 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -5.874 1.326 4.654 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.181 2.330 6.091 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.278 2.419 4.692 1.00 10.00 H new ATOM 216 N GLN A 31 -4.223 6.484 5.235 1.00 10.00 N ATOM 217 CA GLN A 31 -3.271 7.522 4.894 1.00 10.00 C ATOM 218 C GLN A 31 -2.000 6.860 4.383 1.00 10.00 C ATOM 219 O GLN A 31 -1.311 6.156 5.129 1.00 10.00 O ATOM 220 CB GLN A 31 -2.980 8.380 6.128 1.00 10.00 C ATOM 221 CG GLN A 31 -2.023 9.535 5.881 1.00 10.00 C ATOM 222 CD GLN A 31 -1.746 10.326 7.146 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.599 10.433 8.026 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.551 10.881 7.248 1.00 10.00 N ATOM 0 H GLN A 31 -4.256 6.269 6.231 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.676 8.172 4.118 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.921 8.779 6.508 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.566 7.742 6.909 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.085 9.149 5.482 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.443 10.198 5.124 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.129 10.769 6.496 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.309 11.421 8.079 1.00 10.00 H new ATOM 233 N PHE A 32 -1.711 7.063 3.112 1.00 10.00 N ATOM 234 CA PHE A 32 -0.545 6.464 2.488 1.00 10.00 C ATOM 235 C PHE A 32 0.621 7.437 2.428 1.00 10.00 C ATOM 236 O PHE A 32 0.611 8.394 1.655 1.00 10.00 O ATOM 237 CB PHE A 32 -0.899 5.981 1.080 1.00 10.00 C ATOM 238 CG PHE A 32 -0.947 4.486 0.951 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.015 3.765 1.454 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.078 3.803 0.324 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.060 2.390 1.331 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.041 2.430 0.198 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.029 1.721 0.703 1.00 10.00 C ATOM 0 H PHE A 32 -2.272 7.642 2.487 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.237 5.615 3.098 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.868 6.393 0.797 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.167 6.375 0.375 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.823 4.283 1.949 1.00 10.00 H new ATOM 0 HD2 PHE A 32 0.919 4.352 -0.073 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.901 1.839 1.726 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.849 1.911 -0.296 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.060 0.646 0.607 1.00 10.00 H new ATOM 253 N LYS A 33 1.611 7.196 3.267 1.00 10.00 N ATOM 254 CA LYS A 33 2.807 8.017 3.300 1.00 10.00 C ATOM 255 C LYS A 33 3.847 7.379 2.392 1.00 10.00 C ATOM 256 O LYS A 33 4.400 6.322 2.712 1.00 10.00 O ATOM 257 CB LYS A 33 3.327 8.130 4.732 1.00 10.00 C ATOM 258 CG LYS A 33 4.576 8.980 4.873 1.00 10.00 C ATOM 259 CD LYS A 33 4.794 9.373 6.320 1.00 10.00 C ATOM 260 CE LYS A 33 6.160 9.995 6.534 1.00 10.00 C ATOM 261 NZ LYS A 33 6.467 10.154 7.978 1.00 10.00 N ATOM 0 H LYS A 33 1.610 6.430 3.941 1.00 10.00 H new ATOM 0 HA LYS A 33 2.586 9.025 2.949 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.542 8.551 5.360 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.537 7.130 5.111 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.441 8.428 4.506 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.485 9.875 4.257 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.021 10.078 6.626 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.692 8.493 6.955 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.922 9.372 6.066 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.199 10.968 6.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.408 10.582 8.088 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 5.753 10.769 8.419 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.454 9.222 8.440 1.00 10.00 H new ATOM 275 N ILE A 34 4.074 7.992 1.240 1.00 10.00 N ATOM 276 CA ILE A 34 5.017 7.456 0.267 1.00 10.00 C ATOM 277 C ILE A 34 5.839 8.581 -0.362 1.00 10.00 C ATOM 278 O ILE A 34 5.518 9.757 -0.199 1.00 10.00 O ATOM 279 CB ILE A 34 4.271 6.642 -0.843 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.242 7.385 -2.181 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.841 6.320 -0.421 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.647 6.573 -3.311 1.00 10.00 C ATOM 0 H ILE A 34 3.620 8.860 0.955 1.00 10.00 H new ATOM 0 HA ILE A 34 5.694 6.781 0.790 1.00 10.00 H new ATOM 0 HB ILE A 34 4.831 5.716 -0.973 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.669 8.305 -2.064 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.258 7.675 -2.449 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.347 5.754 -1.211 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.856 5.728 0.494 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.296 7.247 -0.244 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.659 7.162 -4.228 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.234 5.666 -3.455 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.619 6.305 -3.065 1.00 10.00 H new ATOM 294 N LYS A 35 6.915 8.221 -1.049 1.00 10.00 N ATOM 295 CA LYS A 35 7.745 9.206 -1.721 1.00 10.00 C ATOM 296 C LYS A 35 7.268 9.371 -3.159 1.00 10.00 C ATOM 297 O LYS A 35 6.669 8.460 -3.725 1.00 10.00 O ATOM 298 CB LYS A 35 9.217 8.795 -1.672 1.00 10.00 C ATOM 299 CG LYS A 35 9.993 9.493 -0.567 1.00 10.00 C ATOM 300 CD LYS A 35 11.175 8.663 -0.098 1.00 10.00 C ATOM 301 CE LYS A 35 11.881 9.324 1.076 1.00 10.00 C ATOM 302 NZ LYS A 35 12.517 8.325 1.973 1.00 10.00 N ATOM 0 H LYS A 35 7.231 7.257 -1.154 1.00 10.00 H new ATOM 0 HA LYS A 35 7.655 10.164 -1.208 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.283 7.716 -1.529 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.683 9.018 -2.632 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.347 10.459 -0.926 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.329 9.689 0.275 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.833 7.670 0.193 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.878 8.530 -0.920 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.640 10.012 0.703 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.164 9.917 1.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.042 8.337 2.898 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.432 7.377 1.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.523 8.560 2.097 1.00 10.00 H new ATOM 316 N ARG A 36 7.557 10.515 -3.759 1.00 10.00 N ATOM 317 CA ARG A 36 7.109 10.802 -5.121 1.00 10.00 C ATOM 318 C ARG A 36 7.741 9.858 -6.145 1.00 10.00 C ATOM 319 O ARG A 36 7.188 9.647 -7.224 1.00 10.00 O ATOM 320 CB ARG A 36 7.415 12.256 -5.486 1.00 10.00 C ATOM 321 CG ARG A 36 6.917 13.257 -4.456 1.00 10.00 C ATOM 322 CD ARG A 36 6.905 14.674 -5.006 1.00 10.00 C ATOM 323 NE ARG A 36 5.687 14.959 -5.770 1.00 10.00 N ATOM 324 CZ ARG A 36 4.759 15.846 -5.401 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.900 16.539 -4.274 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.685 16.037 -6.156 1.00 10.00 N ATOM 0 H ARG A 36 8.100 11.263 -3.328 1.00 10.00 H new ATOM 0 HA ARG A 36 6.031 10.642 -5.148 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.492 12.374 -5.604 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.962 12.483 -6.451 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.911 12.982 -4.138 1.00 10.00 H new ATOM 0 HG3 ARG A 36 7.553 13.216 -3.572 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.990 15.383 -4.182 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.776 14.822 -5.645 1.00 10.00 H new ATOM 0 HE ARG A 36 5.538 14.447 -6.640 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.721 16.395 -3.686 1.00 10.00 H new ATOM 0 HH12 ARG A 36 4.187 17.215 -3.998 1.00 10.00 H new ATOM 0 HH21 ARG A 36 3.567 15.506 -7.019 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.977 16.715 -5.873 1.00 10.00 H new ATOM 340 N HIS A 37 8.894 9.292 -5.811 1.00 10.00 N ATOM 341 CA HIS A 37 9.576 8.374 -6.721 1.00 10.00 C ATOM 342 C HIS A 37 9.143 6.924 -6.473 1.00 10.00 C ATOM 343 O HIS A 37 9.477 6.026 -7.249 1.00 10.00 O ATOM 344 CB HIS A 37 11.104 8.515 -6.590 1.00 10.00 C ATOM 345 CG HIS A 37 11.712 7.742 -5.452 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.173 6.456 -5.624 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.917 8.112 -4.165 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.645 6.078 -4.450 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.514 7.048 -3.539 1.00 10.00 N ATOM 0 H HIS A 37 9.375 9.449 -4.925 1.00 10.00 H new ATOM 0 HA HIS A 37 9.291 8.639 -7.739 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.566 8.188 -7.521 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.348 9.570 -6.466 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.660 9.061 -3.718 1.00 10.00 H new ATOM 0 HE1 HIS A 37 13.081 5.110 -4.251 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.804 7.005 -2.562 1.00 10.00 H new ATOM 357 N THR A 38 8.390 6.711 -5.401 1.00 10.00 N ATOM 358 CA THR A 38 7.921 5.384 -5.033 1.00 10.00 C ATOM 359 C THR A 38 6.755 4.943 -5.923 1.00 10.00 C ATOM 360 O THR A 38 5.716 5.598 -5.957 1.00 10.00 O ATOM 361 CB THR A 38 7.491 5.374 -3.554 1.00 10.00 C ATOM 362 OG1 THR A 38 8.575 5.842 -2.740 1.00 10.00 O ATOM 363 CG2 THR A 38 7.075 3.984 -3.098 1.00 10.00 C ATOM 0 H THR A 38 8.089 7.450 -4.766 1.00 10.00 H new ATOM 0 HA THR A 38 8.740 4.679 -5.177 1.00 10.00 H new ATOM 0 HB THR A 38 6.629 6.032 -3.449 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.364 5.689 -1.795 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.779 4.019 -2.050 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.235 3.639 -3.701 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.913 3.297 -3.216 1.00 10.00 H new ATOM 371 N PRO A 39 6.923 3.829 -6.662 1.00 10.00 N ATOM 372 CA PRO A 39 5.885 3.304 -7.558 1.00 10.00 C ATOM 373 C PRO A 39 4.565 3.026 -6.844 1.00 10.00 C ATOM 374 O PRO A 39 4.544 2.599 -5.686 1.00 10.00 O ATOM 375 CB PRO A 39 6.485 1.997 -8.088 1.00 10.00 C ATOM 376 CG PRO A 39 7.955 2.145 -7.907 1.00 10.00 C ATOM 377 CD PRO A 39 8.140 2.996 -6.683 1.00 10.00 C ATOM 0 HA PRO A 39 5.637 4.025 -8.337 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.104 1.137 -7.538 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.230 1.843 -9.137 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.432 1.173 -7.782 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.410 2.613 -8.780 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.228 2.390 -5.781 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.042 3.604 -6.748 1.00 10.00 H new ATOM 385 N LEU A 40 3.461 3.250 -7.554 1.00 10.00 N ATOM 386 CA LEU A 40 2.129 3.029 -6.999 1.00 10.00 C ATOM 387 C LEU A 40 1.834 1.541 -6.868 1.00 10.00 C ATOM 388 O LEU A 40 0.817 1.144 -6.300 1.00 10.00 O ATOM 389 CB LEU A 40 1.068 3.685 -7.880 1.00 10.00 C ATOM 390 CG LEU A 40 1.081 5.214 -7.884 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.177 5.748 -8.982 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.650 5.757 -6.527 1.00 10.00 C ATOM 0 H LEU A 40 3.464 3.585 -8.517 1.00 10.00 H new ATOM 0 HA LEU A 40 2.102 3.480 -6.007 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.200 3.334 -8.903 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.085 3.347 -7.551 1.00 10.00 H new ATOM 0 HG LEU A 40 2.099 5.550 -8.080 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.197 6.838 -8.972 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.527 5.388 -9.949 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.843 5.402 -8.814 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.666 6.847 -6.549 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.359 5.413 -6.301 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.335 5.400 -5.758 1.00 10.00 H new ATOM 404 N SER A 41 2.732 0.725 -7.402 1.00 10.00 N ATOM 405 CA SER A 41 2.594 -0.718 -7.344 1.00 10.00 C ATOM 406 C SER A 41 2.564 -1.192 -5.891 1.00 10.00 C ATOM 407 O SER A 41 1.897 -2.168 -5.562 1.00 10.00 O ATOM 408 CB SER A 41 3.753 -1.366 -8.098 1.00 10.00 C ATOM 409 OG SER A 41 4.271 -0.478 -9.081 1.00 10.00 O ATOM 0 H SER A 41 3.572 1.045 -7.885 1.00 10.00 H new ATOM 0 HA SER A 41 1.655 -1.011 -7.813 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.541 -1.641 -7.397 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.415 -2.286 -8.574 1.00 10.00 H new ATOM 0 HG SER A 41 5.014 -0.909 -9.553 1.00 10.00 H new ATOM 415 N LYS A 42 3.268 -0.467 -5.023 1.00 10.00 N ATOM 416 CA LYS A 42 3.313 -0.804 -3.606 1.00 10.00 C ATOM 417 C LYS A 42 1.966 -0.519 -2.950 1.00 10.00 C ATOM 418 O LYS A 42 1.564 -1.204 -2.013 1.00 10.00 O ATOM 419 CB LYS A 42 4.406 -0.003 -2.892 1.00 10.00 C ATOM 420 CG LYS A 42 5.765 -0.069 -3.567 1.00 10.00 C ATOM 421 CD LYS A 42 6.854 0.545 -2.697 1.00 10.00 C ATOM 422 CE LYS A 42 7.458 -0.482 -1.751 1.00 10.00 C ATOM 423 NZ LYS A 42 8.836 -0.114 -1.335 1.00 10.00 N ATOM 0 H LYS A 42 3.814 0.356 -5.278 1.00 10.00 H new ATOM 0 HA LYS A 42 3.539 -1.867 -3.520 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.094 1.040 -2.828 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.502 -0.370 -1.870 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.014 -1.108 -3.784 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.723 0.455 -4.522 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.637 0.961 -3.332 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.438 1.371 -2.121 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.826 -0.577 -0.868 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.475 -1.457 -2.238 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.374 -0.976 -1.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 9.306 0.400 -2.107 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.794 0.492 -0.491 1.00 10.00 H new ATOM 437 N LEU A 43 1.267 0.482 -3.470 1.00 10.00 N ATOM 438 CA LEU A 43 -0.035 0.871 -2.944 1.00 10.00 C ATOM 439 C LEU A 43 -1.049 -0.245 -3.165 1.00 10.00 C ATOM 440 O LEU A 43 -1.873 -0.537 -2.299 1.00 10.00 O ATOM 441 CB LEU A 43 -0.505 2.163 -3.622 1.00 10.00 C ATOM 442 CG LEU A 43 -1.583 2.954 -2.876 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.359 4.445 -3.063 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.973 2.564 -3.360 1.00 10.00 C ATOM 0 H LEU A 43 1.583 1.043 -4.261 1.00 10.00 H new ATOM 0 HA LEU A 43 0.054 1.048 -1.872 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.360 2.811 -3.766 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.885 1.914 -4.613 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.513 2.715 -1.815 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.131 4.999 -2.529 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -0.379 4.718 -2.671 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.406 4.690 -4.124 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.722 3.139 -2.816 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -3.059 2.773 -4.426 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -3.134 1.500 -3.185 1.00 10.00 H new ATOM 456 N MET A 44 -0.949 -0.893 -4.317 1.00 10.00 N ATOM 457 CA MET A 44 -1.857 -1.980 -4.668 1.00 10.00 C ATOM 458 C MET A 44 -1.402 -3.303 -4.056 1.00 10.00 C ATOM 459 O MET A 44 -2.010 -4.345 -4.291 1.00 10.00 O ATOM 460 CB MET A 44 -1.957 -2.123 -6.189 1.00 10.00 C ATOM 461 CG MET A 44 -2.500 -0.887 -6.886 1.00 10.00 C ATOM 462 SD MET A 44 -2.874 -1.174 -8.630 1.00 10.00 S ATOM 463 CE MET A 44 -1.243 -1.541 -9.273 1.00 10.00 C ATOM 0 H MET A 44 -0.247 -0.685 -5.027 1.00 10.00 H new ATOM 0 HA MET A 44 -2.839 -1.733 -4.264 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.969 -2.350 -6.589 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.599 -2.972 -6.423 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.404 -0.555 -6.375 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.772 -0.080 -6.803 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.275 -1.548 -10.363 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.539 -0.780 -8.935 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.921 -2.518 -8.913 1.00 10.00 H new ATOM 473 N LYS A 45 -0.335 -3.258 -3.271 1.00 10.00 N ATOM 474 CA LYS A 45 0.187 -4.461 -2.635 1.00 10.00 C ATOM 475 C LYS A 45 0.099 -4.373 -1.116 1.00 10.00 C ATOM 476 O LYS A 45 -0.478 -5.246 -0.477 1.00 10.00 O ATOM 477 CB LYS A 45 1.633 -4.713 -3.067 1.00 10.00 C ATOM 478 CG LYS A 45 1.752 -5.222 -4.492 1.00 10.00 C ATOM 479 CD LYS A 45 3.186 -5.568 -4.854 1.00 10.00 C ATOM 480 CE LYS A 45 3.282 -6.114 -6.269 1.00 10.00 C ATOM 481 NZ LYS A 45 4.678 -6.451 -6.646 1.00 10.00 N ATOM 0 H LYS A 45 0.185 -2.406 -3.059 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.430 -5.299 -2.959 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.201 -3.788 -2.970 1.00 10.00 H new ATOM 0 HB3 LYS A 45 2.086 -5.437 -2.390 1.00 10.00 H new ATOM 0 HG2 LYS A 45 1.124 -6.104 -4.616 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.377 -4.465 -5.180 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.811 -4.680 -4.761 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.573 -6.305 -4.150 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.659 -7.004 -6.356 1.00 10.00 H new ATOM 0 HE3 LYS A 45 2.886 -5.378 -6.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 4.696 -6.819 -7.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.269 -5.597 -6.589 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.049 -7.173 -5.996 1.00 10.00 H new ATOM 495 N ALA A 46 0.647 -3.305 -0.542 1.00 10.00 N ATOM 496 CA ALA A 46 0.637 -3.119 0.907 1.00 10.00 C ATOM 497 C ALA A 46 -0.785 -3.132 1.461 1.00 10.00 C ATOM 498 O ALA A 46 -1.074 -3.812 2.445 1.00 10.00 O ATOM 499 CB ALA A 46 1.339 -1.819 1.277 1.00 10.00 C ATOM 0 H ALA A 46 1.104 -2.554 -1.059 1.00 10.00 H new ATOM 0 HA ALA A 46 1.176 -3.953 1.356 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.324 -1.693 2.360 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.372 -1.851 0.929 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.824 -0.981 0.807 1.00 10.00 H new ATOM 505 N TYR A 47 -1.674 -2.390 0.816 1.00 10.00 N ATOM 506 CA TYR A 47 -3.066 -2.322 1.245 1.00 10.00 C ATOM 507 C TYR A 47 -3.785 -3.634 0.932 1.00 10.00 C ATOM 508 O TYR A 47 -4.716 -4.030 1.635 1.00 10.00 O ATOM 509 CB TYR A 47 -3.766 -1.144 0.558 1.00 10.00 C ATOM 510 CG TYR A 47 -5.220 -0.970 0.948 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.238 -1.241 0.041 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.573 -0.530 2.216 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.566 -1.077 0.386 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.900 -0.367 2.571 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.892 -0.639 1.652 1.00 10.00 C ATOM 516 OH TYR A 47 -9.215 -0.470 2.002 1.00 10.00 O ATOM 0 H TYR A 47 -1.457 -1.826 -0.006 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.097 -2.167 2.323 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.226 -0.227 0.795 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.705 -1.280 -0.522 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.986 -1.586 -0.951 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.799 -0.311 2.937 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.344 -1.291 -0.332 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.158 -0.028 3.563 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.271 -0.157 2.929 1.00 10.00 H new ATOM 526 N CYS A 48 -3.320 -4.314 -0.108 1.00 10.00 N ATOM 527 CA CYS A 48 -3.907 -5.579 -0.524 1.00 10.00 C ATOM 528 C CYS A 48 -3.611 -6.665 0.506 1.00 10.00 C ATOM 529 O CYS A 48 -4.494 -7.444 0.876 1.00 10.00 O ATOM 530 CB CYS A 48 -3.363 -5.986 -1.894 1.00 10.00 C ATOM 531 SG CYS A 48 -4.408 -7.148 -2.794 1.00 10.00 S ATOM 0 H CYS A 48 -2.534 -4.008 -0.681 1.00 10.00 H new ATOM 0 HA CYS A 48 -4.988 -5.456 -0.598 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.231 -5.090 -2.500 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.376 -6.430 -1.763 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.617 -8.201 -2.061 1.00 10.00 H new ATOM 537 N GLU A 49 -2.365 -6.699 0.975 1.00 10.00 N ATOM 538 CA GLU A 49 -1.939 -7.676 1.970 1.00 10.00 C ATOM 539 C GLU A 49 -2.657 -7.442 3.295 1.00 10.00 C ATOM 540 O GLU A 49 -3.014 -8.390 3.996 1.00 10.00 O ATOM 541 CB GLU A 49 -0.424 -7.600 2.180 1.00 10.00 C ATOM 542 CG GLU A 49 0.392 -7.938 0.939 1.00 10.00 C ATOM 543 CD GLU A 49 0.138 -9.343 0.432 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.739 -10.294 0.976 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.656 -9.501 -0.517 1.00 10.00 O ATOM 0 H GLU A 49 -1.630 -6.056 0.679 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.196 -8.669 1.602 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.164 -6.595 2.511 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.144 -8.282 2.983 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.156 -7.224 0.150 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.452 -7.825 1.165 1.00 10.00 H new ATOM 552 N ARG A 50 -2.884 -6.175 3.627 1.00 10.00 N ATOM 553 CA ARG A 50 -3.566 -5.821 4.868 1.00 10.00 C ATOM 554 C ARG A 50 -4.992 -6.359 4.877 1.00 10.00 C ATOM 555 O ARG A 50 -5.464 -6.864 5.896 1.00 10.00 O ATOM 556 CB ARG A 50 -3.576 -4.306 5.078 1.00 10.00 C ATOM 557 CG ARG A 50 -2.220 -3.744 5.465 1.00 10.00 C ATOM 558 CD ARG A 50 -2.350 -2.578 6.432 1.00 10.00 C ATOM 559 NE ARG A 50 -1.044 -2.129 6.914 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.869 -1.266 7.914 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.915 -0.750 8.549 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.357 -0.920 8.283 1.00 10.00 N ATOM 0 H ARG A 50 -2.606 -5.377 3.055 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.015 -6.280 5.689 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.914 -3.822 4.162 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.299 -4.059 5.855 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.617 -4.529 5.921 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.692 -3.417 4.569 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.860 -1.751 5.939 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.969 -2.874 7.279 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.213 -2.501 6.454 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.861 -1.014 8.272 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.773 -0.090 9.314 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.165 -1.314 7.801 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.492 -0.259 9.048 1.00 10.00 H new ATOM 576 N GLN A 51 -5.668 -6.272 3.742 1.00 10.00 N ATOM 577 CA GLN A 51 -7.039 -6.760 3.640 1.00 10.00 C ATOM 578 C GLN A 51 -7.060 -8.276 3.455 1.00 10.00 C ATOM 579 O GLN A 51 -8.097 -8.920 3.620 1.00 10.00 O ATOM 580 CB GLN A 51 -7.766 -6.074 2.480 1.00 10.00 C ATOM 581 CG GLN A 51 -7.967 -4.579 2.681 1.00 10.00 C ATOM 582 CD GLN A 51 -8.653 -4.249 3.994 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.998 -3.998 5.009 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.975 -4.254 3.986 1.00 10.00 N ATOM 0 H GLN A 51 -5.294 -5.871 2.882 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.557 -6.519 4.568 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.200 -6.235 1.562 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.738 -6.547 2.342 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.999 -4.079 2.646 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.560 -4.183 1.857 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.479 -4.467 3.125 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.491 -4.045 4.841 1.00 10.00 H new ATOM 593 N GLY A 52 -5.908 -8.841 3.116 1.00 10.00 N ATOM 594 CA GLY A 52 -5.809 -10.273 2.916 1.00 10.00 C ATOM 595 C GLY A 52 -6.502 -10.716 1.645 1.00 10.00 C ATOM 596 O GLY A 52 -7.091 -11.793 1.594 1.00 10.00 O ATOM 0 H GLY A 52 -5.037 -8.330 2.976 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.759 -10.562 2.876 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.250 -10.790 3.769 1.00 10.00 H new ATOM 600 N LEU A 53 -6.430 -9.886 0.617 1.00 10.00 N ATOM 601 CA LEU A 53 -7.062 -10.198 -0.654 1.00 10.00 C ATOM 602 C LEU A 53 -6.030 -10.218 -1.768 1.00 10.00 C ATOM 603 O LEU A 53 -4.894 -9.784 -1.577 1.00 10.00 O ATOM 604 CB LEU A 53 -8.158 -9.177 -0.973 1.00 10.00 C ATOM 605 CG LEU A 53 -9.372 -9.220 -0.045 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.288 -8.040 -0.317 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.127 -10.530 -0.210 1.00 10.00 C ATOM 0 H LEU A 53 -5.940 -8.991 0.638 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.516 -11.186 -0.577 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.725 -8.178 -0.934 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.496 -9.338 -1.997 1.00 10.00 H new ATOM 0 HG LEU A 53 -9.020 -9.156 0.985 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.148 -8.085 0.352 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.744 -7.111 -0.147 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.631 -8.076 -1.351 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.987 -10.541 0.459 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.468 -10.626 -1.241 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.468 -11.363 0.033 1.00 10.00 H new ATOM 619 N SER A 54 -6.419 -10.734 -2.920 1.00 10.00 N ATOM 620 CA SER A 54 -5.526 -10.794 -4.062 1.00 10.00 C ATOM 621 C SER A 54 -5.688 -9.540 -4.917 1.00 10.00 C ATOM 622 O SER A 54 -6.804 -9.046 -5.106 1.00 10.00 O ATOM 623 CB SER A 54 -5.810 -12.049 -4.898 1.00 10.00 C ATOM 624 OG SER A 54 -4.826 -12.236 -5.904 1.00 10.00 O ATOM 0 H SER A 54 -7.349 -11.118 -3.089 1.00 10.00 H new ATOM 0 HA SER A 54 -4.499 -10.845 -3.702 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.837 -12.923 -4.247 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.794 -11.965 -5.360 1.00 10.00 H new ATOM 0 HG SER A 54 -5.033 -13.044 -6.418 1.00 10.00 H new ATOM 630 N MET A 55 -4.574 -9.030 -5.432 1.00 10.00 N ATOM 631 CA MET A 55 -4.578 -7.830 -6.267 1.00 10.00 C ATOM 632 C MET A 55 -5.396 -8.060 -7.535 1.00 10.00 C ATOM 633 O MET A 55 -5.893 -7.119 -8.151 1.00 10.00 O ATOM 634 CB MET A 55 -3.141 -7.447 -6.628 1.00 10.00 C ATOM 635 CG MET A 55 -3.003 -6.060 -7.234 1.00 10.00 C ATOM 636 SD MET A 55 -1.301 -5.670 -7.693 1.00 10.00 S ATOM 637 CE MET A 55 -1.067 -6.751 -9.101 1.00 10.00 C ATOM 0 H MET A 55 -3.648 -9.432 -5.285 1.00 10.00 H new ATOM 0 HA MET A 55 -5.037 -7.015 -5.707 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.525 -7.503 -5.731 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.747 -8.180 -7.331 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.639 -5.988 -8.116 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.362 -5.318 -6.521 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.169 -6.454 -9.643 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.959 -7.779 -8.756 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.930 -6.679 -9.762 1.00 10.00 H new ATOM 647 N ARG A 56 -5.548 -9.326 -7.903 1.00 10.00 N ATOM 648 CA ARG A 56 -6.299 -9.700 -9.092 1.00 10.00 C ATOM 649 C ARG A 56 -7.803 -9.656 -8.825 1.00 10.00 C ATOM 650 O ARG A 56 -8.609 -9.719 -9.752 1.00 10.00 O ATOM 651 CB ARG A 56 -5.887 -11.100 -9.546 1.00 10.00 C ATOM 652 CG ARG A 56 -6.330 -11.440 -10.956 1.00 10.00 C ATOM 653 CD ARG A 56 -5.891 -12.837 -11.346 1.00 10.00 C ATOM 654 NE ARG A 56 -6.327 -13.185 -12.695 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.502 -13.416 -13.712 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.186 -13.328 -13.549 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.000 -13.742 -14.898 1.00 10.00 N ATOM 0 H ARG A 56 -5.157 -10.116 -7.390 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.073 -8.984 -9.882 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.802 -11.187 -9.485 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.305 -11.833 -8.857 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.415 -11.364 -11.028 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -5.913 -10.716 -11.656 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.805 -12.907 -11.286 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.297 -13.557 -10.636 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.330 -13.256 -12.869 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.800 -13.081 -12.637 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.562 -13.507 -14.335 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.010 -13.814 -15.025 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -5.373 -13.921 -15.683 1.00 10.00 H new ATOM 671 N GLN A 57 -8.179 -9.530 -7.558 1.00 10.00 N ATOM 672 CA GLN A 57 -9.586 -9.487 -7.179 1.00 10.00 C ATOM 673 C GLN A 57 -10.082 -8.046 -7.074 1.00 10.00 C ATOM 674 O GLN A 57 -11.220 -7.740 -7.434 1.00 10.00 O ATOM 675 CB GLN A 57 -9.796 -10.211 -5.846 1.00 10.00 C ATOM 676 CG GLN A 57 -11.242 -10.227 -5.377 1.00 10.00 C ATOM 677 CD GLN A 57 -11.395 -10.789 -3.978 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.631 -11.659 -3.557 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.377 -10.289 -3.244 1.00 10.00 N ATOM 0 H GLN A 57 -7.529 -9.456 -6.775 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.161 -9.991 -7.955 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.444 -11.238 -5.942 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.182 -9.733 -5.083 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.639 -9.212 -5.402 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.838 -10.820 -6.070 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.987 -9.569 -3.631 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.523 -10.624 -2.292 1.00 10.00 H new ATOM 688 N ILE A 58 -9.226 -7.165 -6.587 1.00 10.00 N ATOM 689 CA ILE A 58 -9.589 -5.764 -6.424 1.00 10.00 C ATOM 690 C ILE A 58 -9.101 -4.920 -7.599 1.00 10.00 C ATOM 691 O ILE A 58 -8.308 -5.381 -8.421 1.00 10.00 O ATOM 692 CB ILE A 58 -9.037 -5.184 -5.105 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.551 -5.519 -4.942 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.838 -5.712 -3.921 1.00 10.00 C ATOM 695 CD1 ILE A 58 -6.947 -4.997 -3.655 1.00 10.00 C ATOM 0 H ILE A 58 -8.275 -7.392 -6.297 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.678 -5.725 -6.393 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.137 -4.099 -5.138 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.425 -6.601 -4.979 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.000 -5.105 -5.786 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.438 -5.295 -2.996 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.883 -5.420 -4.029 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.767 -6.799 -3.889 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.893 -5.272 -3.610 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.040 -3.911 -3.623 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.472 -5.431 -2.804 1.00 10.00 H new ATOM 707 N ARG A 59 -9.609 -3.693 -7.683 1.00 10.00 N ATOM 708 CA ARG A 59 -9.243 -2.761 -8.745 1.00 10.00 C ATOM 709 C ARG A 59 -9.003 -1.377 -8.158 1.00 10.00 C ATOM 710 O ARG A 59 -9.698 -0.965 -7.233 1.00 10.00 O ATOM 711 CB ARG A 59 -10.356 -2.678 -9.797 1.00 10.00 C ATOM 712 CG ARG A 59 -10.663 -3.998 -10.491 1.00 10.00 C ATOM 713 CD ARG A 59 -9.481 -4.492 -11.306 1.00 10.00 C ATOM 714 NE ARG A 59 -9.815 -5.680 -12.088 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.546 -6.927 -11.705 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.940 -7.155 -10.548 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.880 -7.949 -12.485 1.00 10.00 N ATOM 0 H ARG A 59 -10.285 -3.318 -7.018 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.331 -3.123 -9.221 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.265 -2.312 -9.319 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.074 -1.942 -10.550 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.930 -4.747 -9.746 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.528 -3.874 -11.143 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -9.145 -3.700 -11.975 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.650 -4.719 -10.639 1.00 10.00 H new ATOM 0 HE ARG A 59 -10.284 -5.546 -12.984 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.678 -6.374 -9.947 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.736 -8.112 -10.259 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -10.343 -7.779 -13.378 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.674 -8.904 -12.191 1.00 10.00 H new ATOM 731 N PHE A 60 -8.024 -0.664 -8.691 1.00 10.00 N ATOM 732 CA PHE A 60 -7.704 0.674 -8.210 1.00 10.00 C ATOM 733 C PHE A 60 -7.916 1.714 -9.310 1.00 10.00 C ATOM 734 O PHE A 60 -7.519 1.507 -10.461 1.00 10.00 O ATOM 735 CB PHE A 60 -6.257 0.728 -7.708 1.00 10.00 C ATOM 736 CG PHE A 60 -6.030 0.009 -6.409 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.948 -1.375 -6.371 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.889 0.717 -5.230 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.734 -2.037 -5.178 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.674 0.062 -4.032 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.595 -1.317 -4.006 1.00 10.00 C ATOM 0 H PHE A 60 -7.435 -0.988 -9.458 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.375 0.906 -7.383 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.604 0.298 -8.468 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.964 1.771 -7.589 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -6.053 -1.941 -7.285 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.948 1.795 -5.245 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.675 -3.115 -5.161 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.568 0.627 -3.118 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.425 -1.832 -3.072 1.00 10.00 H new ATOM 751 N ARG A 61 -8.543 2.827 -8.952 1.00 10.00 N ATOM 752 CA ARG A 61 -8.812 3.898 -9.906 1.00 10.00 C ATOM 753 C ARG A 61 -8.300 5.242 -9.395 1.00 10.00 C ATOM 754 O ARG A 61 -8.351 5.525 -8.199 1.00 10.00 O ATOM 755 CB ARG A 61 -10.314 4.002 -10.192 1.00 10.00 C ATOM 756 CG ARG A 61 -10.840 2.933 -11.137 1.00 10.00 C ATOM 757 CD ARG A 61 -12.290 3.202 -11.513 1.00 10.00 C ATOM 758 NE ARG A 61 -12.867 2.116 -12.304 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.176 1.927 -12.468 1.00 10.00 C ATOM 760 NH1 ARG A 61 -15.048 2.741 -11.883 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.611 0.911 -13.206 1.00 10.00 N ATOM 0 H ARG A 61 -8.876 3.013 -8.006 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.283 3.652 -10.827 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.858 3.939 -9.250 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.525 4.983 -10.617 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.226 2.905 -12.037 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.759 1.954 -10.665 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.879 3.341 -10.606 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.350 4.132 -12.078 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.228 1.463 -12.758 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.716 3.514 -11.306 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -16.049 2.593 -12.011 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.943 0.277 -13.646 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.612 0.765 -13.333 1.00 10.00 H new ATOM 775 N PHE A 62 -7.805 6.057 -10.316 1.00 10.00 N ATOM 776 CA PHE A 62 -7.293 7.380 -9.998 1.00 10.00 C ATOM 777 C PHE A 62 -7.584 8.336 -11.152 1.00 10.00 C ATOM 778 O PHE A 62 -7.313 8.016 -12.311 1.00 10.00 O ATOM 779 CB PHE A 62 -5.788 7.331 -9.730 1.00 10.00 C ATOM 780 CG PHE A 62 -5.191 8.679 -9.432 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.370 9.269 -8.193 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.456 9.356 -10.394 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.833 10.510 -7.919 1.00 10.00 C ATOM 784 CE2 PHE A 62 -3.916 10.598 -10.124 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.104 11.175 -8.884 1.00 10.00 C ATOM 0 H PHE A 62 -7.748 5.818 -11.306 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.791 7.736 -9.096 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.597 6.664 -8.890 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.286 6.903 -10.597 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.936 8.752 -7.432 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.304 8.907 -11.364 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -4.983 10.961 -6.949 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.348 11.117 -10.882 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.681 12.145 -8.669 1.00 10.00 H new ATOM 795 N ASP A 63 -8.152 9.497 -10.827 1.00 10.00 N ATOM 796 CA ASP A 63 -8.492 10.519 -11.823 1.00 10.00 C ATOM 797 C ASP A 63 -9.524 9.976 -12.812 1.00 10.00 C ATOM 798 O ASP A 63 -9.612 10.421 -13.958 1.00 10.00 O ATOM 799 CB ASP A 63 -7.228 10.998 -12.558 1.00 10.00 C ATOM 800 CG ASP A 63 -7.419 12.312 -13.300 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.233 13.145 -12.856 1.00 10.00 O ATOM 802 OD2 ASP A 63 -6.746 12.523 -14.334 1.00 10.00 O ATOM 0 H ASP A 63 -8.390 9.757 -9.870 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.929 11.375 -11.308 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.419 11.112 -11.837 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.917 10.231 -13.267 1.00 10.00 H new ATOM 807 N GLY A 64 -10.306 9.001 -12.356 1.00 10.00 N ATOM 808 CA GLY A 64 -11.326 8.403 -13.197 1.00 10.00 C ATOM 809 C GLY A 64 -10.792 7.280 -14.068 1.00 10.00 C ATOM 810 O GLY A 64 -11.563 6.574 -14.720 1.00 10.00 O ATOM 0 H GLY A 64 -10.250 8.614 -11.414 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.128 8.017 -12.568 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -11.762 9.173 -13.833 1.00 10.00 H new ATOM 814 N GLN A 65 -9.477 7.102 -14.076 1.00 10.00 N ATOM 815 CA GLN A 65 -8.855 6.062 -14.885 1.00 10.00 C ATOM 816 C GLN A 65 -8.267 4.971 -13.988 1.00 10.00 C ATOM 817 O GLN A 65 -7.924 5.234 -12.839 1.00 10.00 O ATOM 818 CB GLN A 65 -7.746 6.655 -15.763 1.00 10.00 C ATOM 819 CG GLN A 65 -8.082 8.007 -16.381 1.00 10.00 C ATOM 820 CD GLN A 65 -9.300 7.968 -17.283 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.643 6.926 -17.844 1.00 10.00 O ATOM 822 NE2 GLN A 65 -9.959 9.105 -17.435 1.00 10.00 N ATOM 0 H GLN A 65 -8.822 7.663 -13.532 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.621 5.626 -15.526 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.842 6.759 -15.163 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.518 5.951 -16.563 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.252 8.731 -15.584 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.225 8.360 -16.955 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.643 9.946 -16.953 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.784 9.140 -18.034 1.00 10.00 H new ATOM 831 N PRO A 66 -8.150 3.733 -14.486 1.00 10.00 N ATOM 832 CA PRO A 66 -7.588 2.619 -13.717 1.00 10.00 C ATOM 833 C PRO A 66 -6.069 2.733 -13.586 1.00 10.00 C ATOM 834 O PRO A 66 -5.391 3.180 -14.514 1.00 10.00 O ATOM 835 CB PRO A 66 -7.964 1.373 -14.536 1.00 10.00 C ATOM 836 CG PRO A 66 -8.889 1.855 -15.604 1.00 10.00 C ATOM 837 CD PRO A 66 -8.555 3.299 -15.825 1.00 10.00 C ATOM 0 HA PRO A 66 -7.972 2.593 -12.697 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.078 0.906 -14.967 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.447 0.623 -13.909 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.758 1.280 -16.521 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.929 1.738 -15.300 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.754 3.424 -16.553 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.412 3.863 -16.194 1.00 10.00 H new ATOM 845 N ILE A 67 -5.543 2.334 -12.438 1.00 10.00 N ATOM 846 CA ILE A 67 -4.109 2.402 -12.189 1.00 10.00 C ATOM 847 C ILE A 67 -3.412 1.129 -12.658 1.00 10.00 C ATOM 848 O ILE A 67 -3.845 0.019 -12.340 1.00 10.00 O ATOM 849 CB ILE A 67 -3.805 2.612 -10.689 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.588 3.809 -10.148 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.309 2.808 -10.467 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.384 4.045 -8.668 1.00 10.00 C ATOM 0 H ILE A 67 -6.088 1.959 -11.662 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.731 3.255 -12.753 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.118 1.720 -10.146 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.291 4.704 -10.695 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.650 3.655 -10.340 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.115 2.954 -9.404 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.771 1.927 -10.816 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.970 3.683 -11.022 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -4.969 4.909 -8.353 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.708 3.166 -8.111 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.328 4.231 -8.471 1.00 10.00 H new ATOM 864 N ASN A 68 -2.337 1.292 -13.415 1.00 10.00 N ATOM 865 CA ASN A 68 -1.577 0.159 -13.914 1.00 10.00 C ATOM 866 C ASN A 68 -0.418 -0.143 -12.967 1.00 10.00 C ATOM 867 O ASN A 68 -0.145 0.621 -12.040 1.00 10.00 O ATOM 868 CB ASN A 68 -1.051 0.446 -15.328 1.00 10.00 C ATOM 869 CG ASN A 68 -0.923 -0.804 -16.182 1.00 10.00 C ATOM 870 OD1 ASN A 68 -0.676 -1.901 -15.677 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.087 -0.646 -17.487 1.00 10.00 N ATOM 0 H ASN A 68 -1.972 2.202 -13.697 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.232 -0.711 -13.963 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -1.721 1.149 -15.822 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.077 0.930 -15.255 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.010 -1.449 -18.112 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.290 0.278 -17.867 1.00 10.00 H new ATOM 878 N GLU A 69 0.264 -1.252 -13.204 1.00 10.00 N ATOM 879 CA GLU A 69 1.392 -1.653 -12.373 1.00 10.00 C ATOM 880 C GLU A 69 2.682 -0.998 -12.863 1.00 10.00 C ATOM 881 O GLU A 69 3.777 -1.349 -12.427 1.00 10.00 O ATOM 882 CB GLU A 69 1.536 -3.176 -12.387 1.00 10.00 C ATOM 883 CG GLU A 69 0.327 -3.903 -11.818 1.00 10.00 C ATOM 884 CD GLU A 69 0.268 -5.359 -12.236 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.257 -6.088 -12.025 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.772 -5.781 -12.781 1.00 10.00 O ATOM 0 H GLU A 69 0.056 -1.894 -13.968 1.00 10.00 H new ATOM 0 HA GLU A 69 1.205 -1.322 -11.351 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.701 -3.508 -13.412 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.421 -3.455 -11.815 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.351 -3.843 -10.730 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.582 -3.398 -12.145 1.00 10.00 H new ATOM 893 N THR A 70 2.538 -0.039 -13.764 1.00 10.00 N ATOM 894 CA THR A 70 3.675 0.660 -14.335 1.00 10.00 C ATOM 895 C THR A 70 3.537 2.171 -14.166 1.00 10.00 C ATOM 896 O THR A 70 4.070 2.947 -14.962 1.00 10.00 O ATOM 897 CB THR A 70 3.798 0.323 -15.835 1.00 10.00 C ATOM 898 OG1 THR A 70 2.487 0.195 -16.412 1.00 10.00 O ATOM 899 CG2 THR A 70 4.572 -0.971 -16.042 1.00 10.00 C ATOM 0 H THR A 70 1.634 0.274 -14.118 1.00 10.00 H new ATOM 0 HA THR A 70 4.571 0.333 -13.806 1.00 10.00 H new ATOM 0 HB THR A 70 4.340 1.132 -16.324 1.00 10.00 H new ATOM 0 HG1 THR A 70 2.568 -0.017 -17.365 1.00 10.00 H new ATOM 0 HG21 THR A 70 4.644 -1.185 -17.108 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.573 -0.867 -15.624 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.054 -1.789 -15.542 1.00 10.00 H new ATOM 907 N ASP A 71 2.831 2.592 -13.123 1.00 10.00 N ATOM 908 CA ASP A 71 2.617 4.016 -12.886 1.00 10.00 C ATOM 909 C ASP A 71 3.200 4.475 -11.558 1.00 10.00 C ATOM 910 O ASP A 71 3.219 3.731 -10.571 1.00 10.00 O ATOM 911 CB ASP A 71 1.128 4.357 -12.931 1.00 10.00 C ATOM 912 CG ASP A 71 0.575 4.324 -14.339 1.00 10.00 C ATOM 913 OD1 ASP A 71 -0.050 3.309 -14.707 1.00 10.00 O ATOM 914 OD2 ASP A 71 0.775 5.300 -15.089 1.00 10.00 O ATOM 0 H ASP A 71 2.401 1.975 -12.434 1.00 10.00 H new ATOM 0 HA ASP A 71 3.138 4.545 -13.684 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.577 3.651 -12.310 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.971 5.348 -12.504 1.00 10.00 H new ATOM 919 N THR A 72 3.675 5.710 -11.556 1.00 10.00 N ATOM 920 CA THR A 72 4.249 6.334 -10.379 1.00 10.00 C ATOM 921 C THR A 72 3.481 7.616 -10.069 1.00 10.00 C ATOM 922 O THR A 72 2.781 8.139 -10.942 1.00 10.00 O ATOM 923 CB THR A 72 5.739 6.668 -10.603 1.00 10.00 C ATOM 924 OG1 THR A 72 5.918 7.258 -11.897 1.00 10.00 O ATOM 925 CG2 THR A 72 6.604 5.422 -10.487 1.00 10.00 C ATOM 0 H THR A 72 3.672 6.311 -12.380 1.00 10.00 H new ATOM 0 HA THR A 72 4.175 5.639 -9.543 1.00 10.00 H new ATOM 0 HB THR A 72 6.047 7.374 -9.832 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.865 7.469 -12.032 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.649 5.688 -10.649 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.490 4.991 -9.492 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.294 4.693 -11.236 1.00 10.00 H new ATOM 933 N PRO A 73 3.580 8.140 -8.835 1.00 10.00 N ATOM 934 CA PRO A 73 2.881 9.370 -8.444 1.00 10.00 C ATOM 935 C PRO A 73 3.260 10.542 -9.339 1.00 10.00 C ATOM 936 O PRO A 73 2.414 11.358 -9.702 1.00 10.00 O ATOM 937 CB PRO A 73 3.356 9.622 -7.012 1.00 10.00 C ATOM 938 CG PRO A 73 3.816 8.296 -6.524 1.00 10.00 C ATOM 939 CD PRO A 73 4.367 7.584 -7.722 1.00 10.00 C ATOM 0 HA PRO A 73 1.799 9.269 -8.530 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.163 10.354 -6.986 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.550 10.014 -6.391 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.577 8.407 -5.752 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.992 7.736 -6.082 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.433 7.774 -7.848 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.243 6.504 -7.641 1.00 10.00 H new ATOM 947 N ALA A 74 4.534 10.607 -9.699 1.00 10.00 N ATOM 948 CA ALA A 74 5.034 11.671 -10.554 1.00 10.00 C ATOM 949 C ALA A 74 4.454 11.565 -11.959 1.00 10.00 C ATOM 950 O ALA A 74 4.123 12.572 -12.579 1.00 10.00 O ATOM 951 CB ALA A 74 6.555 11.635 -10.603 1.00 10.00 C ATOM 0 H ALA A 74 5.242 9.932 -9.410 1.00 10.00 H new ATOM 0 HA ALA A 74 4.717 12.624 -10.131 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.917 12.437 -11.247 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.955 11.768 -9.598 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.884 10.675 -11.000 1.00 10.00 H new ATOM 957 N GLN A 75 4.303 10.335 -12.441 1.00 10.00 N ATOM 958 CA GLN A 75 3.773 10.089 -13.778 1.00 10.00 C ATOM 959 C GLN A 75 2.342 10.604 -13.916 1.00 10.00 C ATOM 960 O GLN A 75 1.964 11.153 -14.950 1.00 10.00 O ATOM 961 CB GLN A 75 3.821 8.594 -14.105 1.00 10.00 C ATOM 962 CG GLN A 75 3.441 8.280 -15.541 1.00 10.00 C ATOM 963 CD GLN A 75 4.369 8.943 -16.537 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.578 9.037 -16.312 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.812 9.428 -17.630 1.00 10.00 N ATOM 0 H GLN A 75 4.541 9.490 -11.923 1.00 10.00 H new ATOM 0 HA GLN A 75 4.400 10.632 -14.485 1.00 10.00 H new ATOM 0 HB2 GLN A 75 4.826 8.219 -13.912 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.148 8.061 -13.434 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.460 7.201 -15.692 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.418 8.610 -15.725 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.808 9.329 -17.778 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.386 9.902 -18.328 1.00 10.00 H new ATOM 974 N LEU A 76 1.550 10.430 -12.872 1.00 10.00 N ATOM 975 CA LEU A 76 0.165 10.874 -12.898 1.00 10.00 C ATOM 976 C LEU A 76 0.024 12.248 -12.249 1.00 10.00 C ATOM 977 O LEU A 76 -1.091 12.728 -12.037 1.00 10.00 O ATOM 978 CB LEU A 76 -0.730 9.850 -12.189 1.00 10.00 C ATOM 979 CG LEU A 76 -0.641 8.420 -12.734 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.503 7.477 -11.908 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.057 8.373 -14.197 1.00 10.00 C ATOM 0 H LEU A 76 1.839 9.987 -12.000 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.152 10.957 -13.938 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.471 9.835 -11.130 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.765 10.185 -12.259 1.00 10.00 H new ATOM 0 HG LEU A 76 0.397 8.094 -12.661 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.426 6.467 -12.311 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.160 7.482 -10.874 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.542 7.805 -11.947 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.986 7.349 -14.563 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.085 8.723 -14.294 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.399 9.014 -14.783 1.00 10.00 H new ATOM 993 N GLU A 77 1.170 12.870 -11.951 1.00 10.00 N ATOM 994 CA GLU A 77 1.222 14.193 -11.321 1.00 10.00 C ATOM 995 C GLU A 77 0.308 14.250 -10.097 1.00 10.00 C ATOM 996 O GLU A 77 -0.523 15.151 -9.961 1.00 10.00 O ATOM 997 CB GLU A 77 0.838 15.285 -12.328 1.00 10.00 C ATOM 998 CG GLU A 77 1.746 15.343 -13.550 1.00 10.00 C ATOM 999 CD GLU A 77 3.191 15.645 -13.202 1.00 10.00 C ATOM 1000 OE1 GLU A 77 3.438 16.297 -12.164 1.00 10.00 O ATOM 1001 OE2 GLU A 77 4.092 15.244 -13.971 1.00 10.00 O ATOM 0 H GLU A 77 2.089 12.469 -12.140 1.00 10.00 H new ATOM 0 HA GLU A 77 2.245 14.371 -10.991 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.188 15.118 -12.657 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.858 16.252 -11.826 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.697 14.391 -14.078 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.376 16.106 -14.235 1.00 10.00 H new ATOM 1008 N MET A 78 0.472 13.281 -9.210 1.00 10.00 N ATOM 1009 CA MET A 78 -0.343 13.193 -8.008 1.00 10.00 C ATOM 1010 C MET A 78 0.102 14.207 -6.966 1.00 10.00 C ATOM 1011 O MET A 78 1.288 14.518 -6.850 1.00 10.00 O ATOM 1012 CB MET A 78 -0.270 11.783 -7.425 1.00 10.00 C ATOM 1013 CG MET A 78 -0.748 10.708 -8.387 1.00 10.00 C ATOM 1014 SD MET A 78 -0.496 9.039 -7.753 1.00 10.00 S ATOM 1015 CE MET A 78 -1.523 9.067 -6.288 1.00 10.00 C ATOM 0 H MET A 78 1.167 12.540 -9.301 1.00 10.00 H new ATOM 0 HA MET A 78 -1.374 13.417 -8.284 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.759 11.570 -7.136 1.00 10.00 H new ATOM 0 HB3 MET A 78 -0.872 11.741 -6.517 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.808 10.857 -8.593 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.221 10.815 -9.335 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.512 8.084 -5.817 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.139 9.809 -5.588 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.545 9.325 -6.565 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.860 14.713 -6.212 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.591 15.691 -5.173 1.00 10.00 C ATOM 1027 C GLU A 79 -1.063 15.169 -3.822 1.00 10.00 C ATOM 1028 O GLU A 79 -1.636 14.081 -3.737 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.297 17.012 -5.494 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.387 18.047 -6.131 1.00 10.00 C ATOM 1031 CD GLU A 79 0.857 18.301 -5.309 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.730 18.754 -4.153 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.968 18.048 -5.814 1.00 10.00 O ATOM 0 H GLU A 79 -1.844 14.459 -6.303 1.00 10.00 H new ATOM 0 HA GLU A 79 0.484 15.864 -5.130 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.134 16.814 -6.164 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.715 17.424 -4.575 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.099 17.711 -7.127 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.934 18.981 -6.256 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.811 15.938 -2.770 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.235 15.553 -1.430 1.00 10.00 C ATOM 1042 C ASP A 80 -2.746 15.703 -1.329 1.00 10.00 C ATOM 1043 O ASP A 80 -3.348 16.427 -2.129 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.543 16.427 -0.375 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.391 15.738 0.970 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.733 15.285 1.284 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -1.381 15.673 1.734 1.00 10.00 O ATOM 0 H ASP A 80 -0.317 16.829 -2.818 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.956 14.516 -1.246 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.442 16.715 -0.741 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.115 17.346 -0.242 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.355 15.004 -0.373 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.808 15.049 -0.162 1.00 10.00 C ATOM 1054 C GLU A 81 -5.561 14.346 -1.291 1.00 10.00 C ATOM 1055 O GLU A 81 -6.793 14.372 -1.333 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.303 16.497 -0.031 1.00 10.00 C ATOM 1057 CG GLU A 81 -5.099 17.098 1.348 1.00 10.00 C ATOM 1058 CD GLU A 81 -6.139 16.629 2.341 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -7.316 17.030 2.211 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.792 15.860 3.260 1.00 10.00 O ATOM 0 H GLU A 81 -2.861 14.392 0.277 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.012 14.521 0.769 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.786 17.115 -0.765 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.364 16.531 -0.277 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.107 16.834 1.713 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.133 18.185 1.276 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.828 13.722 -2.203 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.445 13.017 -3.320 1.00 10.00 C ATOM 1069 C ASP A 82 -5.991 11.679 -2.849 1.00 10.00 C ATOM 1070 O ASP A 82 -5.393 11.026 -1.991 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.437 12.806 -4.448 1.00 10.00 C ATOM 1072 CG ASP A 82 -5.018 13.141 -5.806 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -6.229 12.910 -6.014 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -4.263 13.637 -6.670 1.00 10.00 O ATOM 0 H ASP A 82 -3.809 13.689 -2.192 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.266 13.623 -3.703 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.558 13.425 -4.268 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.102 11.769 -4.444 1.00 10.00 H new ATOM 1079 N THR A 83 -7.105 11.256 -3.417 1.00 10.00 N ATOM 1080 CA THR A 83 -7.729 10.008 -3.013 1.00 10.00 C ATOM 1081 C THR A 83 -7.840 9.012 -4.170 1.00 10.00 C ATOM 1082 O THR A 83 -8.213 9.376 -5.286 1.00 10.00 O ATOM 1083 CB THR A 83 -9.132 10.274 -2.436 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.107 11.424 -1.580 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.632 9.075 -1.650 1.00 10.00 C ATOM 0 H THR A 83 -7.596 11.756 -4.158 1.00 10.00 H new ATOM 0 HA THR A 83 -7.088 9.567 -2.250 1.00 10.00 H new ATOM 0 HB THR A 83 -9.808 10.455 -3.271 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.005 11.584 -1.221 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.624 9.288 -1.253 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.682 8.206 -2.305 1.00 10.00 H new ATOM 0 HG23 THR A 83 -8.948 8.869 -0.826 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.496 7.759 -3.889 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.577 6.685 -4.871 1.00 10.00 C ATOM 1095 C ILE A 84 -8.748 5.771 -4.523 1.00 10.00 C ATOM 1096 O ILE A 84 -8.920 5.387 -3.365 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.263 5.866 -4.928 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.188 6.645 -5.689 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.487 4.501 -5.572 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.806 6.031 -5.603 1.00 10.00 C ATOM 0 H ILE A 84 -7.154 7.461 -2.976 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.732 7.129 -5.854 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.924 5.700 -3.905 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.478 6.716 -6.737 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.147 7.662 -5.300 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.546 3.952 -5.597 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.219 3.940 -4.991 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.856 4.635 -6.589 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.101 6.641 -6.168 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.492 5.985 -4.560 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.829 5.024 -6.019 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.553 5.437 -5.522 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.722 4.589 -5.314 1.00 10.00 C ATOM 1114 C ASP A 85 -10.365 3.116 -5.444 1.00 10.00 C ATOM 1115 O ASP A 85 -9.639 2.721 -6.359 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.824 4.923 -6.323 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.243 6.377 -6.292 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -12.970 6.775 -5.357 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -11.856 7.127 -7.213 1.00 10.00 O ATOM 0 H ASP A 85 -9.419 5.740 -6.487 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.082 4.782 -4.303 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.477 4.673 -7.326 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.693 4.297 -6.122 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.875 2.311 -4.523 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.636 0.876 -4.539 1.00 10.00 C ATOM 1126 C VAL A 86 -11.948 0.136 -4.782 1.00 10.00 C ATOM 1127 O VAL A 86 -12.911 0.297 -4.029 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.010 0.384 -3.215 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.537 -1.059 -3.341 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.862 1.288 -2.794 1.00 10.00 C ATOM 0 H VAL A 86 -11.460 2.630 -3.751 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.932 0.668 -5.345 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.779 0.424 -2.443 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.100 -1.383 -2.396 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.384 -1.699 -3.587 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.788 -1.129 -4.130 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.436 0.923 -1.859 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.095 1.286 -3.568 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.232 2.304 -2.652 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.985 -0.658 -5.839 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.174 -1.422 -6.193 1.00 10.00 C ATOM 1142 C PHE A 87 -12.848 -2.907 -6.247 1.00 10.00 C ATOM 1143 O PHE A 87 -11.704 -3.301 -6.020 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.719 -0.968 -7.548 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.175 0.461 -7.568 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.391 0.819 -7.013 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.384 1.447 -8.136 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.811 2.134 -7.027 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.801 2.763 -8.153 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.014 3.107 -7.596 1.00 10.00 C ATOM 0 H PHE A 87 -11.198 -0.792 -6.474 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.932 -1.248 -5.430 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.946 -1.104 -8.304 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.554 -1.610 -7.827 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.018 0.062 -6.565 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.431 1.183 -8.570 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.763 2.402 -6.593 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.178 3.522 -8.602 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.340 4.136 -7.605 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.847 -3.724 -6.545 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.655 -5.163 -6.641 1.00 10.00 C ATOM 1162 C GLN A 88 -14.228 -5.681 -7.951 1.00 10.00 C ATOM 1163 O GLN A 88 -15.253 -5.190 -8.429 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.300 -5.882 -5.453 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.799 -5.394 -4.103 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.949 -6.430 -3.008 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.880 -7.636 -3.257 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.155 -5.968 -1.783 1.00 10.00 N ATOM 0 H GLN A 88 -14.802 -3.414 -6.725 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.585 -5.369 -6.619 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.381 -5.748 -5.501 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.108 -6.952 -5.538 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.749 -5.115 -4.190 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.346 -4.494 -3.822 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.206 -4.963 -1.619 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -14.263 -6.618 -1.004 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.553 -6.660 -8.537 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.990 -7.244 -9.795 1.00 10.00 C ATOM 1179 C GLN A 89 -15.277 -8.038 -9.593 1.00 10.00 C ATOM 1180 O GLN A 89 -15.456 -8.687 -8.560 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.897 -8.149 -10.368 1.00 10.00 C ATOM 1182 CG GLN A 89 -13.230 -8.738 -11.732 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.422 -7.680 -12.803 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.838 -6.600 -12.740 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -14.240 -7.986 -13.797 1.00 10.00 N ATOM 0 H GLN A 89 -12.698 -7.067 -8.159 1.00 10.00 H new ATOM 0 HA GLN A 89 -14.184 -6.438 -10.502 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.972 -7.578 -10.447 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.711 -8.963 -9.668 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -12.430 -9.413 -12.035 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -14.138 -9.335 -11.652 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.706 -8.893 -13.813 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.405 -7.315 -14.547 1.00 10.00 H new ATOM 1194 N GLN A 90 -16.170 -7.958 -10.573 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.441 -8.668 -10.522 1.00 10.00 C ATOM 1196 C GLN A 90 -17.215 -10.167 -10.356 1.00 10.00 C ATOM 1197 O GLN A 90 -16.268 -10.725 -10.917 1.00 10.00 O ATOM 1198 CB GLN A 90 -18.259 -8.409 -11.792 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.949 -7.050 -11.829 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.985 -5.893 -12.025 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.905 -6.053 -12.595 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -18.378 -4.714 -11.571 1.00 10.00 N ATOM 0 H GLN A 90 -16.035 -7.404 -11.418 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.996 -8.296 -9.661 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.601 -8.493 -12.657 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -19.014 -9.189 -11.889 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.682 -7.044 -12.636 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.498 -6.903 -10.899 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -19.280 -4.622 -11.104 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.779 -3.897 -11.688 1.00 10.00 H new ATOM 1211 N THR A 91 -18.080 -10.811 -9.583 1.00 10.00 N ATOM 1212 CA THR A 91 -17.973 -12.240 -9.341 1.00 10.00 C ATOM 1213 C THR A 91 -18.193 -13.036 -10.622 1.00 10.00 C ATOM 1214 O THR A 91 -17.414 -13.932 -10.950 1.00 10.00 O ATOM 1215 CB THR A 91 -18.989 -12.690 -8.277 1.00 10.00 C ATOM 1216 OG1 THR A 91 -20.072 -11.749 -8.210 1.00 10.00 O ATOM 1217 CG2 THR A 91 -18.329 -12.807 -6.912 1.00 10.00 C ATOM 0 H THR A 91 -18.866 -10.362 -9.112 1.00 10.00 H new ATOM 0 HA THR A 91 -16.963 -12.434 -8.979 1.00 10.00 H new ATOM 0 HB THR A 91 -19.372 -13.670 -8.561 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.717 -12.041 -7.532 1.00 10.00 H new ATOM 0 HG21 THR A 91 -19.068 -13.126 -6.177 1.00 10.00 H new ATOM 0 HG22 THR A 91 -17.523 -13.540 -6.959 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.922 -11.839 -6.620 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.242 -12.689 -11.352 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.544 -13.382 -12.588 1.00 10.00 C ATOM 1227 C GLY A 92 -21.032 -13.548 -12.795 1.00 10.00 C ATOM 1228 O GLY A 92 -21.828 -12.784 -12.238 1.00 10.00 O ATOM 0 H GLY A 92 -19.890 -11.939 -11.111 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.121 -12.829 -13.426 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.067 -14.362 -12.580 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -12.599 5.655 16.176 1.00 10.00 N ATOM 1234 CA ASP B 195 -12.976 5.792 14.776 1.00 10.00 C ATOM 1235 C ASP B 195 -12.091 4.888 13.934 1.00 10.00 C ATOM 1236 O ASP B 195 -11.425 3.999 14.476 1.00 10.00 O ATOM 1237 CB ASP B 195 -12.831 7.242 14.314 1.00 10.00 C ATOM 1238 CG ASP B 195 -13.619 7.515 13.052 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -13.032 8.040 12.083 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.824 7.185 13.014 1.00 10.00 O ATOM 0 HA ASP B 195 -14.020 5.502 14.659 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.170 7.910 15.105 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -11.778 7.463 14.139 1.00 10.00 H new ATOM 1245 N THR B 196 -12.056 5.095 12.622 1.00 10.00 N ATOM 1246 CA THR B 196 -11.210 4.272 11.800 1.00 10.00 C ATOM 1247 C THR B 196 -10.156 5.117 11.107 1.00 10.00 C ATOM 1248 O THR B 196 -10.464 5.998 10.304 1.00 10.00 O ATOM 1249 CB THR B 196 -12.036 3.525 10.742 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.436 3.643 11.036 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.650 2.059 10.698 1.00 10.00 C ATOM 0 H THR B 196 -12.591 5.807 12.126 1.00 10.00 H new ATOM 0 HA THR B 196 -10.722 3.545 12.449 1.00 10.00 H new ATOM 0 HB THR B 196 -11.830 3.973 9.770 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.955 3.165 10.355 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.247 1.548 9.942 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.593 1.968 10.448 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.833 1.605 11.672 1.00 10.00 H new ATOM 1259 N ALA B 197 -8.910 4.836 11.446 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.770 5.504 10.857 1.00 10.00 C ATOM 1261 C ALA B 197 -6.760 4.466 10.415 1.00 10.00 C ATOM 1262 O ALA B 197 -6.397 3.599 11.200 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.148 6.479 11.841 1.00 10.00 C ATOM 0 H ALA B 197 -8.663 4.133 12.142 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.098 6.078 9.990 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.293 6.969 11.376 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -7.886 7.229 12.126 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -6.818 5.939 12.729 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.314 4.533 9.185 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.333 3.587 8.731 1.00 10.00 C ATOM 1271 C GLY B 198 -4.095 4.288 8.259 1.00 10.00 C ATOM 1272 O GLY B 198 -4.190 5.232 7.490 1.00 10.00 O ATOM 0 H GLY B 198 -6.610 5.221 8.493 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.082 2.901 9.540 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.748 2.987 7.921 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.937 3.875 8.729 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.705 4.509 8.301 1.00 10.00 C ATOM 1278 C CYS B 199 -0.762 3.488 7.691 1.00 10.00 C ATOM 1279 O CYS B 199 -0.421 2.483 8.316 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.040 5.218 9.487 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.024 6.568 10.176 1.00 10.00 S ATOM 0 H CYS B 199 -2.821 3.114 9.398 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.940 5.251 7.538 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.844 4.487 10.271 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.074 5.611 9.168 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.385 7.106 11.173 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.371 3.738 6.455 1.00 10.00 N ATOM 1288 CA ILE B 200 0.558 2.877 5.756 1.00 10.00 C ATOM 1289 C ILE B 200 1.717 3.698 5.208 1.00 10.00 C ATOM 1290 O ILE B 200 1.504 4.727 4.570 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.134 2.084 4.623 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.090 1.052 5.226 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.896 1.397 3.737 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.775 0.174 4.202 1.00 10.00 C ATOM 0 H ILE B 200 -0.688 4.541 5.911 1.00 10.00 H new ATOM 0 HA ILE B 200 0.943 2.149 6.470 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.701 2.780 4.005 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.535 0.419 5.919 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.850 1.573 5.809 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.386 0.845 2.947 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.551 2.146 3.292 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.489 0.707 4.337 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.435 -0.530 4.709 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.360 0.795 3.523 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.025 -0.377 3.635 1.00 10.00 H new ATOM 1306 N VAL B 201 2.936 3.277 5.489 1.00 10.00 N ATOM 1307 CA VAL B 201 4.102 3.969 4.977 1.00 10.00 C ATOM 1308 C VAL B 201 4.967 3.006 4.166 1.00 10.00 C ATOM 1309 O VAL B 201 5.290 1.909 4.623 1.00 10.00 O ATOM 1310 CB VAL B 201 4.934 4.613 6.109 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.249 3.605 7.197 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.210 5.216 5.549 1.00 10.00 C ATOM 0 H VAL B 201 3.143 2.462 6.067 1.00 10.00 H new ATOM 0 HA VAL B 201 3.752 4.774 4.331 1.00 10.00 H new ATOM 0 HB VAL B 201 4.340 5.410 6.556 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.835 4.086 7.980 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.320 3.225 7.621 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.819 2.778 6.773 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.785 5.666 6.358 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.803 4.435 5.073 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.959 5.981 4.814 1.00 10.00 H new ATOM 1322 N ILE B 202 5.306 3.397 2.954 1.00 10.00 N ATOM 1323 CA ILE B 202 6.147 2.574 2.111 1.00 10.00 C ATOM 1324 C ILE B 202 7.396 3.340 1.740 1.00 10.00 C ATOM 1325 O ILE B 202 7.328 4.484 1.294 1.00 10.00 O ATOM 1326 CB ILE B 202 5.424 2.059 0.839 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.944 3.228 -0.047 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.281 1.124 1.229 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.704 2.931 -0.863 1.00 10.00 C ATOM 0 H ILE B 202 5.012 4.278 2.532 1.00 10.00 H new ATOM 0 HA ILE B 202 6.410 1.687 2.687 1.00 10.00 H new ATOM 0 HB ILE B 202 6.133 1.488 0.240 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.747 4.091 0.588 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.751 3.508 -0.724 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.779 0.768 0.329 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.679 0.274 1.783 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.568 1.662 1.853 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.439 3.807 -1.455 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.899 2.090 -1.528 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.880 2.682 -0.195 1.00 10.00 H new HETATM 1341 N SEP B 203 8.528 2.708 1.924 1.00 10.00 N HETATM 1342 CA SEP B 203 9.802 3.317 1.624 1.00 10.00 C HETATM 1343 CB SEP B 203 10.696 3.299 2.861 1.00 10.00 C HETATM 1344 OG SEP B 203 10.542 4.485 3.625 1.00 10.00 O HETATM 1345 C SEP B 203 10.487 2.564 0.497 1.00 10.00 C HETATM 1346 O SEP B 203 10.565 1.331 0.509 1.00 10.00 O HETATM 1347 P SEP B 203 11.364 5.799 3.228 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.480 5.554 2.297 1.00 10.00 O HETATM 1349 O2P SEP B 203 11.728 6.645 4.374 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.345 6.694 2.391 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.452 2.433 3.476 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.738 3.191 2.558 1.00 10.00 H new HETATM 0 HA SEP B 203 9.631 4.349 1.317 1.00 10.00 H new ATOM 1355 N ASP B 204 10.947 3.309 -0.491 1.00 10.00 N ATOM 1356 CA ASP B 204 11.630 2.729 -1.631 1.00 10.00 C ATOM 1357 C ASP B 204 13.043 3.277 -1.726 1.00 10.00 C ATOM 1358 O ASP B 204 13.253 4.490 -1.691 1.00 10.00 O ATOM 1359 CB ASP B 204 10.864 3.035 -2.918 1.00 10.00 C ATOM 1360 CG ASP B 204 10.831 1.848 -3.854 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.493 1.902 -4.912 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.148 0.853 -3.528 1.00 10.00 O ATOM 0 H ASP B 204 10.859 4.325 -0.526 1.00 10.00 H new ATOM 0 HA ASP B 204 11.677 1.648 -1.498 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.844 3.330 -2.671 1.00 10.00 H new ATOM 0 HB3 ASP B 204 11.328 3.882 -3.423 1.00 10.00 H new HETATM 1367 N SEP B 205 14.008 2.379 -1.815 1.00 10.00 N HETATM 1368 CA SEP B 205 15.403 2.752 -1.918 1.00 10.00 C HETATM 1369 CB SEP B 205 16.162 2.275 -0.681 1.00 10.00 C HETATM 1370 OG SEP B 205 15.734 0.980 -0.283 1.00 10.00 O HETATM 1371 C SEP B 205 16.014 2.176 -3.189 1.00 10.00 C HETATM 1372 O SEP B 205 15.785 1.008 -3.515 1.00 10.00 O HETATM 1373 P SEP B 205 16.698 0.046 0.588 1.00 10.00 P HETATM 1374 O1P SEP B 205 16.762 -1.348 0.118 1.00 10.00 O HETATM 1375 O2P SEP B 205 18.013 0.641 0.871 1.00 10.00 O HETATM 1376 O3P SEP B 205 15.988 -0.054 2.020 1.00 10.00 O HETATM 0 HB3 SEP B 205 17.231 2.259 -0.891 1.00 10.00 H new HETATM 0 HB2 SEP B 205 16.009 2.979 0.137 1.00 10.00 H new HETATM 0 HA SEP B 205 15.478 3.838 -1.971 1.00 10.00 H new ATOM 1381 N GLU B 206 16.740 3.010 -3.926 1.00 10.00 N ATOM 1382 CA GLU B 206 17.394 2.582 -5.161 1.00 10.00 C ATOM 1383 C GLU B 206 18.349 1.415 -4.904 1.00 10.00 C ATOM 1384 O GLU B 206 18.768 1.179 -3.765 1.00 10.00 O ATOM 1385 CB GLU B 206 18.161 3.753 -5.775 1.00 10.00 C ATOM 1386 CG GLU B 206 18.718 3.461 -7.160 1.00 10.00 C ATOM 1387 CD GLU B 206 17.633 3.372 -8.214 1.00 10.00 C ATOM 1388 OE1 GLU B 206 16.933 2.340 -8.270 1.00 10.00 O ATOM 1389 OE2 GLU B 206 17.474 4.334 -8.989 1.00 10.00 O ATOM 0 H GLU B 206 16.892 3.991 -3.690 1.00 10.00 H new ATOM 0 HA GLU B 206 16.624 2.246 -5.855 1.00 10.00 H new ATOM 0 HB2 GLU B 206 17.500 4.618 -5.834 1.00 10.00 H new ATOM 0 HB3 GLU B 206 18.983 4.025 -5.113 1.00 10.00 H new ATOM 0 HG2 GLU B 206 19.425 4.243 -7.436 1.00 10.00 H new ATOM 0 HG3 GLU B 206 19.273 2.523 -7.135 1.00 10.00 H new TER 1396 GLU B 206