USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.594 (180deg=0.555) USER MOD Single : A 5 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 8 THR OG1 : rot -47:sc= 0.105 USER MOD Single : A 9 SER OG : rot -31:sc= -0.269 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.03 K(o=-2,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 19 TYR OH : rot 150:sc= -2.2! USER MOD Single : A 21 ASN : amide:sc= -0.0828 K(o=-0.083,f=-2.3!) USER MOD Single : B 1 PHE N :NH3+ -164:sc= 0.00165 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.7) USER MOD Single : B 4 GLN : amide:sc= -4.44! C(o=-4.4!,f=-8.3!) USER MOD Single : B 5 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-5.3!) USER MOD Single : B 9 SER OG : rot -82:sc= 0.089 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00657 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.789 7.078 1.858 1.00 0.00 N ATOM 2 CA GLY A 1 -7.254 5.674 1.579 1.00 0.00 C ATOM 3 C GLY A 1 -5.910 5.514 0.954 1.00 0.00 C ATOM 4 O GLY A 1 -5.328 6.459 0.458 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.657 7.012 2.427 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.074 7.625 2.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.000 7.554 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.241 5.135 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.976 5.171 0.936 1.00 0.00 H new ATOM 10 N ILE A 2 -5.382 4.320 0.961 1.00 0.00 N ATOM 11 CA ILE A 2 -4.040 4.094 0.352 1.00 0.00 C ATOM 12 C ILE A 2 -4.002 4.703 -1.050 1.00 0.00 C ATOM 13 O ILE A 2 -3.100 5.438 -1.394 1.00 0.00 O ATOM 14 CB ILE A 2 -3.773 2.590 0.257 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.494 2.343 -0.559 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.962 1.916 -0.427 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.461 0.893 -1.051 1.00 0.00 C ATOM 0 H ILE A 2 -5.822 3.492 1.362 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.278 4.565 0.973 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.642 2.175 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.457 3.025 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.616 2.548 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.780 0.844 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.866 2.093 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.089 2.330 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.552 0.725 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.477 0.218 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.331 0.702 -1.680 1.00 0.00 H new ATOM 29 N VAL A 3 -4.972 4.393 -1.866 1.00 0.00 N ATOM 30 CA VAL A 3 -4.984 4.944 -3.249 1.00 0.00 C ATOM 31 C VAL A 3 -4.726 6.450 -3.206 1.00 0.00 C ATOM 32 O VAL A 3 -3.913 6.971 -3.941 1.00 0.00 O ATOM 33 CB VAL A 3 -6.344 4.679 -3.897 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.452 5.475 -5.199 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.481 3.186 -4.203 1.00 0.00 C ATOM 0 H VAL A 3 -5.756 3.783 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.203 4.459 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.137 4.986 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.421 5.287 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.353 6.539 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.659 5.167 -5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.450 2.997 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.688 2.880 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.403 2.616 -3.277 1.00 0.00 H new ATOM 45 N GLU A 4 -5.417 7.155 -2.354 1.00 0.00 N ATOM 46 CA GLU A 4 -5.219 8.631 -2.270 1.00 0.00 C ATOM 47 C GLU A 4 -3.835 8.947 -1.696 1.00 0.00 C ATOM 48 O GLU A 4 -2.910 9.251 -2.421 1.00 0.00 O ATOM 49 CB GLU A 4 -6.292 9.234 -1.362 1.00 0.00 C ATOM 50 CG GLU A 4 -7.569 9.473 -2.169 1.00 0.00 C ATOM 51 CD GLU A 4 -8.789 9.212 -1.283 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.612 9.121 -0.079 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.878 9.107 -1.823 1.00 0.00 O ATOM 0 H GLU A 4 -6.111 6.773 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.295 9.057 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.497 8.563 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.937 10.173 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.590 10.497 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.591 8.816 -3.039 1.00 0.00 H new ATOM 60 N GLN A 5 -3.693 8.893 -0.399 1.00 0.00 N ATOM 61 CA GLN A 5 -2.376 9.209 0.233 1.00 0.00 C ATOM 62 C GLN A 5 -1.227 8.638 -0.603 1.00 0.00 C ATOM 63 O GLN A 5 -0.129 9.157 -0.594 1.00 0.00 O ATOM 64 CB GLN A 5 -2.328 8.601 1.636 1.00 0.00 C ATOM 65 CG GLN A 5 -1.455 9.473 2.539 1.00 0.00 C ATOM 66 CD GLN A 5 -1.592 9.005 3.988 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.611 9.808 4.899 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.687 7.729 4.241 1.00 0.00 N ATOM 0 H GLN A 5 -4.435 8.643 0.254 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.266 10.292 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.335 8.527 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.927 7.588 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.413 9.413 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.754 10.518 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.671 7.055 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.777 7.405 5.204 1.00 0.00 H new ATOM 77 N CYS A 6 -1.461 7.576 -1.322 1.00 0.00 N ATOM 78 CA CYS A 6 -0.368 6.989 -2.145 1.00 0.00 C ATOM 79 C CYS A 6 -0.386 7.612 -3.542 1.00 0.00 C ATOM 80 O CYS A 6 0.646 7.874 -4.127 1.00 0.00 O ATOM 81 CB CYS A 6 -0.563 5.475 -2.245 1.00 0.00 C ATOM 82 SG CYS A 6 -0.573 4.760 -0.582 1.00 0.00 S ATOM 0 H CYS A 6 -2.357 7.091 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 6 0.594 7.196 -1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.500 5.251 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.237 5.032 -2.838 1.00 0.00 H new ATOM 87 N CYS A 7 -1.548 7.852 -4.082 1.00 0.00 N ATOM 88 CA CYS A 7 -1.627 8.457 -5.439 1.00 0.00 C ATOM 89 C CYS A 7 -1.630 9.984 -5.328 1.00 0.00 C ATOM 90 O CYS A 7 -0.963 10.670 -6.077 1.00 0.00 O ATOM 91 CB CYS A 7 -2.908 7.984 -6.127 1.00 0.00 C ATOM 92 SG CYS A 7 -3.016 8.714 -7.781 1.00 0.00 S ATOM 0 H CYS A 7 -2.447 7.655 -3.641 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.763 8.148 -6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.914 6.896 -6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.777 8.270 -5.535 1.00 0.00 H new ATOM 97 N THR A 8 -2.370 10.524 -4.400 1.00 0.00 N ATOM 98 CA THR A 8 -2.406 12.007 -4.248 1.00 0.00 C ATOM 99 C THR A 8 -1.185 12.467 -3.443 1.00 0.00 C ATOM 100 O THR A 8 -1.068 13.622 -3.083 1.00 0.00 O ATOM 101 CB THR A 8 -3.693 12.418 -3.523 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.940 13.799 -3.749 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.555 12.161 -2.020 1.00 0.00 C ATOM 0 H THR A 8 -2.950 10.005 -3.741 1.00 0.00 H new ATOM 0 HA THR A 8 -2.385 12.475 -5.232 1.00 0.00 H new ATOM 0 HB THR A 8 -4.525 11.828 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.117 14.308 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.474 12.456 -1.514 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.371 11.101 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.722 12.743 -1.626 1.00 0.00 H new ATOM 111 N SER A 9 -0.278 11.574 -3.158 1.00 0.00 N ATOM 112 CA SER A 9 0.931 11.958 -2.378 1.00 0.00 C ATOM 113 C SER A 9 1.973 10.840 -2.485 1.00 0.00 C ATOM 114 O SER A 9 2.139 10.237 -3.528 1.00 0.00 O ATOM 115 CB SER A 9 0.542 12.168 -0.913 1.00 0.00 C ATOM 116 OG SER A 9 -0.531 13.099 -0.842 1.00 0.00 O ATOM 0 H SER A 9 -0.323 10.593 -3.433 1.00 0.00 H new ATOM 0 HA SER A 9 1.351 12.883 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.247 11.220 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.397 12.537 -0.347 1.00 0.00 H new ATOM 0 HG SER A 9 -0.458 13.740 -1.580 1.00 0.00 H new ATOM 122 N ILE A 10 2.679 10.555 -1.425 1.00 0.00 N ATOM 123 CA ILE A 10 3.704 9.476 -1.484 1.00 0.00 C ATOM 124 C ILE A 10 3.419 8.441 -0.396 1.00 0.00 C ATOM 125 O ILE A 10 2.902 8.760 0.657 1.00 0.00 O ATOM 126 CB ILE A 10 5.090 10.078 -1.265 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.487 10.896 -2.497 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.107 8.956 -1.040 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.867 9.952 -3.638 1.00 0.00 C ATOM 0 H ILE A 10 2.590 11.022 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 10 3.668 8.994 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 10 5.073 10.726 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.660 11.537 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.326 11.550 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.096 9.387 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.821 8.376 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.129 8.304 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.149 10.536 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.707 9.329 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.016 9.317 -3.884 1.00 0.00 H new ATOM 141 N CYS A 11 3.749 7.202 -0.639 1.00 0.00 N ATOM 142 CA CYS A 11 3.496 6.151 0.386 1.00 0.00 C ATOM 143 C CYS A 11 4.775 5.343 0.618 1.00 0.00 C ATOM 144 O CYS A 11 5.810 5.626 0.049 1.00 0.00 O ATOM 145 CB CYS A 11 2.382 5.220 -0.100 1.00 0.00 C ATOM 146 SG CYS A 11 0.778 5.862 0.441 1.00 0.00 S ATOM 0 H CYS A 11 4.182 6.873 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 11 3.192 6.622 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.407 5.143 -1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.535 4.216 0.294 1.00 0.00 H new ATOM 151 N SER A 12 4.713 4.341 1.453 1.00 0.00 N ATOM 152 CA SER A 12 5.928 3.519 1.719 1.00 0.00 C ATOM 153 C SER A 12 5.563 2.037 1.668 1.00 0.00 C ATOM 154 O SER A 12 4.432 1.656 1.896 1.00 0.00 O ATOM 155 CB SER A 12 6.486 3.862 3.100 1.00 0.00 C ATOM 156 OG SER A 12 5.433 4.339 3.928 1.00 0.00 O ATOM 0 H SER A 12 3.876 4.057 1.961 1.00 0.00 H new ATOM 0 HA SER A 12 6.682 3.732 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.946 2.981 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.266 4.618 3.012 1.00 0.00 H new ATOM 0 HG SER A 12 5.788 4.558 4.815 1.00 0.00 H new ATOM 162 N LEU A 13 6.513 1.198 1.363 1.00 0.00 N ATOM 163 CA LEU A 13 6.224 -0.260 1.288 1.00 0.00 C ATOM 164 C LEU A 13 5.573 -0.727 2.590 1.00 0.00 C ATOM 165 O LEU A 13 4.716 -1.586 2.593 1.00 0.00 O ATOM 166 CB LEU A 13 7.527 -1.032 1.071 1.00 0.00 C ATOM 167 CG LEU A 13 8.154 -0.615 -0.260 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.260 0.410 -0.003 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.751 -1.845 -0.946 1.00 0.00 C ATOM 0 H LEU A 13 7.478 1.460 1.162 1.00 0.00 H new ATOM 0 HA LEU A 13 5.545 -0.446 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.220 -0.834 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.331 -2.104 1.072 1.00 0.00 H new ATOM 0 HG LEU A 13 7.390 -0.173 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.708 0.708 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.837 1.286 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.024 -0.032 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.199 -1.551 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.515 -2.284 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.965 -2.578 -1.127 1.00 0.00 H new ATOM 181 N TYR A 14 5.975 -0.172 3.700 1.00 0.00 N ATOM 182 CA TYR A 14 5.378 -0.594 4.999 1.00 0.00 C ATOM 183 C TYR A 14 3.856 -0.475 4.929 1.00 0.00 C ATOM 184 O TYR A 14 3.140 -1.433 5.145 1.00 0.00 O ATOM 185 CB TYR A 14 5.913 0.300 6.122 1.00 0.00 C ATOM 186 CG TYR A 14 5.489 -0.256 7.460 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.000 -1.482 7.905 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.585 0.456 8.258 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.607 -1.996 9.149 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.192 -0.057 9.502 1.00 0.00 C ATOM 191 CZ TYR A 14 4.702 -1.283 9.946 1.00 0.00 C ATOM 192 OH TYR A 14 4.315 -1.788 11.172 1.00 0.00 O ATOM 0 H TYR A 14 6.689 0.554 3.764 1.00 0.00 H new ATOM 0 HA TYR A 14 5.648 -1.630 5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.000 0.356 6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.535 1.315 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.697 -2.032 7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.190 1.401 7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.002 -2.941 9.492 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.496 0.493 10.118 1.00 0.00 H new ATOM 0 HH TYR A 14 3.685 -1.169 11.596 1.00 0.00 H new ATOM 202 N GLN A 15 3.353 0.689 4.625 1.00 0.00 N ATOM 203 CA GLN A 15 1.861 0.842 4.543 1.00 0.00 C ATOM 204 C GLN A 15 1.338 -0.021 3.394 1.00 0.00 C ATOM 205 O GLN A 15 0.243 -0.544 3.446 1.00 0.00 O ATOM 206 CB GLN A 15 1.445 2.309 4.298 1.00 0.00 C ATOM 207 CG GLN A 15 1.774 3.175 5.525 1.00 0.00 C ATOM 208 CD GLN A 15 1.468 2.406 6.813 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.320 2.268 7.667 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.280 1.897 6.990 1.00 0.00 N ATOM 0 H GLN A 15 3.894 1.532 4.432 1.00 0.00 H new ATOM 0 HA GLN A 15 1.436 0.526 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.963 2.698 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.377 2.360 4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.825 3.462 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.192 4.096 5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.436 2.012 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.067 1.384 7.845 1.00 0.00 H new ATOM 219 N LEU A 16 2.111 -0.169 2.353 1.00 0.00 N ATOM 220 CA LEU A 16 1.660 -0.989 1.203 1.00 0.00 C ATOM 221 C LEU A 16 1.721 -2.474 1.558 1.00 0.00 C ATOM 222 O LEU A 16 0.893 -3.254 1.133 1.00 0.00 O ATOM 223 CB LEU A 16 2.562 -0.708 0.003 1.00 0.00 C ATOM 224 CG LEU A 16 1.718 -0.133 -1.129 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.912 1.062 -0.614 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.629 0.317 -2.272 1.00 0.00 C ATOM 0 H LEU A 16 3.038 0.246 2.253 1.00 0.00 H new ATOM 0 HA LEU A 16 0.630 -0.730 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.349 -0.006 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.053 -1.625 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 16 1.034 -0.900 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.310 1.471 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.258 0.738 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.593 1.829 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.023 0.728 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.317 1.081 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.197 -0.536 -2.642 1.00 0.00 H new ATOM 238 N GLU A 17 2.690 -2.880 2.333 1.00 0.00 N ATOM 239 CA GLU A 17 2.776 -4.318 2.699 1.00 0.00 C ATOM 240 C GLU A 17 1.669 -4.646 3.700 1.00 0.00 C ATOM 241 O GLU A 17 1.365 -5.794 3.954 1.00 0.00 O ATOM 242 CB GLU A 17 4.142 -4.612 3.323 1.00 0.00 C ATOM 243 CG GLU A 17 5.246 -4.231 2.335 1.00 0.00 C ATOM 244 CD GLU A 17 6.024 -5.485 1.931 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.743 -6.008 2.766 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.886 -5.902 0.792 1.00 0.00 O ATOM 0 H GLU A 17 3.418 -2.283 2.724 1.00 0.00 H new ATOM 0 HA GLU A 17 2.655 -4.931 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.259 -4.050 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.217 -5.669 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.813 -3.759 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.919 -3.503 2.788 1.00 0.00 H new ATOM 253 N ASN A 18 1.053 -3.642 4.263 1.00 0.00 N ATOM 254 CA ASN A 18 -0.042 -3.894 5.238 1.00 0.00 C ATOM 255 C ASN A 18 -1.313 -4.276 4.477 1.00 0.00 C ATOM 256 O ASN A 18 -2.304 -4.668 5.060 1.00 0.00 O ATOM 257 CB ASN A 18 -0.297 -2.629 6.062 1.00 0.00 C ATOM 258 CG ASN A 18 0.509 -2.699 7.360 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.016 -2.349 8.414 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.738 -3.139 7.328 1.00 0.00 N ATOM 0 H ASN A 18 1.262 -2.659 4.089 1.00 0.00 H new ATOM 0 HA ASN A 18 0.242 -4.706 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.012 -1.746 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.360 -2.535 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.284 -3.189 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.152 -3.433 6.443 1.00 0.00 H new ATOM 267 N TYR A 19 -1.290 -4.167 3.175 1.00 0.00 N ATOM 268 CA TYR A 19 -2.492 -4.530 2.377 1.00 0.00 C ATOM 269 C TYR A 19 -2.414 -6.006 1.985 1.00 0.00 C ATOM 270 O TYR A 19 -3.397 -6.610 1.606 1.00 0.00 O ATOM 271 CB TYR A 19 -2.547 -3.667 1.115 1.00 0.00 C ATOM 272 CG TYR A 19 -3.240 -2.362 1.432 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.638 -2.291 1.403 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.487 -1.226 1.760 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.286 -1.086 1.703 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.135 -0.020 2.060 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.534 0.050 2.030 1.00 0.00 C ATOM 278 OH TYR A 19 -5.173 1.237 2.327 1.00 0.00 O ATOM 0 H TYR A 19 -0.490 -3.842 2.632 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.390 -4.359 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.539 -3.477 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.081 -4.193 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.217 -3.166 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.409 -1.280 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.364 -1.033 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.556 0.855 2.314 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.630 1.751 2.961 1.00 0.00 H new ATOM 288 N CYS A 20 -1.250 -6.589 2.073 1.00 0.00 N ATOM 289 CA CYS A 20 -1.108 -8.025 1.704 1.00 0.00 C ATOM 290 C CYS A 20 -2.213 -8.840 2.384 1.00 0.00 C ATOM 291 O CYS A 20 -2.683 -8.496 3.450 1.00 0.00 O ATOM 292 CB CYS A 20 0.258 -8.537 2.167 1.00 0.00 C ATOM 293 SG CYS A 20 1.222 -9.063 0.729 1.00 0.00 S ATOM 0 H CYS A 20 -0.392 -6.133 2.384 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.191 -8.131 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.789 -7.753 2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.131 -9.370 2.858 1.00 0.00 H new ATOM 298 N ASN A 21 -2.628 -9.918 1.774 1.00 0.00 N ATOM 299 CA ASN A 21 -3.700 -10.759 2.379 1.00 0.00 C ATOM 300 C ASN A 21 -4.796 -9.859 2.957 1.00 0.00 C ATOM 301 O ASN A 21 -4.880 -8.717 2.537 1.00 0.00 O ATOM 302 CB ASN A 21 -3.106 -11.619 3.497 1.00 0.00 C ATOM 303 CG ASN A 21 -2.271 -12.745 2.886 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.458 -13.102 1.739 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.351 -13.322 3.607 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.532 -10.328 3.809 1.00 0.00 O ATOM 0 H ASN A 21 -2.269 -10.253 0.880 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.128 -11.404 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.486 -11.006 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.903 -12.036 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.788 -14.073 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.194 -13.022 4.569 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.948 1.875 -1.560 1.00 0.00 N ATOM 315 CA PHE B 1 12.225 2.495 -2.705 1.00 0.00 C ATOM 316 C PHE B 1 12.550 3.992 -2.766 1.00 0.00 C ATOM 317 O PHE B 1 13.507 4.454 -2.176 1.00 0.00 O ATOM 318 CB PHE B 1 10.717 2.304 -2.518 1.00 0.00 C ATOM 319 CG PHE B 1 10.190 1.344 -3.561 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.012 1.776 -4.882 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.874 0.023 -3.208 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.519 0.890 -5.849 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.381 -0.862 -4.176 1.00 0.00 C ATOM 324 CZ PHE B 1 9.204 -0.429 -5.496 1.00 0.00 C ATOM 0 H1 PHE B 1 12.953 0.841 -1.671 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.927 2.225 -1.537 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.470 2.125 -0.671 1.00 0.00 H new ATOM 0 HA PHE B 1 12.539 2.020 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.511 1.920 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.206 3.263 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.255 2.792 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.011 -0.311 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.382 1.224 -6.867 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.137 -1.878 -3.904 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.825 -1.112 -6.242 1.00 0.00 H new ATOM 336 N VAL B 2 11.765 4.752 -3.482 1.00 0.00 N ATOM 337 CA VAL B 2 12.028 6.217 -3.592 1.00 0.00 C ATOM 338 C VAL B 2 10.741 6.916 -4.042 1.00 0.00 C ATOM 339 O VAL B 2 10.174 6.569 -5.058 1.00 0.00 O ATOM 340 CB VAL B 2 13.148 6.457 -4.624 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.175 5.310 -5.636 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.907 7.771 -5.375 1.00 0.00 C ATOM 0 H VAL B 2 10.950 4.420 -3.997 1.00 0.00 H new ATOM 0 HA VAL B 2 12.342 6.618 -2.628 1.00 0.00 H new ATOM 0 HB VAL B 2 14.099 6.510 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.968 5.485 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.360 4.370 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.216 5.257 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.706 7.927 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.950 7.723 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.894 8.598 -4.666 1.00 0.00 H new ATOM 352 N ASN B 3 10.285 7.902 -3.302 1.00 0.00 N ATOM 353 CA ASN B 3 9.034 8.622 -3.694 1.00 0.00 C ATOM 354 C ASN B 3 8.052 7.611 -4.277 1.00 0.00 C ATOM 355 O ASN B 3 8.002 7.396 -5.472 1.00 0.00 O ATOM 356 CB ASN B 3 9.360 9.687 -4.743 1.00 0.00 C ATOM 357 CG ASN B 3 9.521 11.046 -4.060 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.732 11.410 -3.210 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.518 11.819 -4.398 1.00 0.00 N ATOM 0 H ASN B 3 10.726 8.237 -2.445 1.00 0.00 H new ATOM 0 HA ASN B 3 8.595 9.107 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.276 9.423 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.565 9.734 -5.487 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.634 12.727 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.181 11.514 -5.111 1.00 0.00 H new ATOM 366 N GLN B 4 7.304 6.955 -3.444 1.00 0.00 N ATOM 367 CA GLN B 4 6.368 5.922 -3.956 1.00 0.00 C ATOM 368 C GLN B 4 5.107 6.558 -4.538 1.00 0.00 C ATOM 369 O GLN B 4 4.076 6.614 -3.895 1.00 0.00 O ATOM 370 CB GLN B 4 5.972 4.984 -2.814 1.00 0.00 C ATOM 371 CG GLN B 4 6.370 3.552 -3.168 1.00 0.00 C ATOM 372 CD GLN B 4 7.454 3.073 -2.201 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.505 1.910 -1.853 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.329 3.928 -1.747 1.00 0.00 N ATOM 0 H GLN B 4 7.299 7.088 -2.433 1.00 0.00 H new ATOM 0 HA GLN B 4 6.873 5.367 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.463 5.291 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.898 5.041 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.501 2.897 -3.111 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.736 3.507 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.287 4.904 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.055 3.620 -1.100 1.00 0.00 H new ATOM 383 N HIS B 5 5.164 6.999 -5.765 1.00 0.00 N ATOM 384 CA HIS B 5 3.951 7.579 -6.399 1.00 0.00 C ATOM 385 C HIS B 5 3.100 6.410 -6.873 1.00 0.00 C ATOM 386 O HIS B 5 3.466 5.688 -7.780 1.00 0.00 O ATOM 387 CB HIS B 5 4.346 8.460 -7.585 1.00 0.00 C ATOM 388 CG HIS B 5 4.622 9.857 -7.102 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.040 10.350 -5.954 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.413 10.847 -7.618 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.484 11.605 -5.806 1.00 0.00 C ATOM 392 NE2 HIS B 5 5.327 11.954 -6.800 1.00 0.00 N ATOM 0 H HIS B 5 5.997 6.982 -6.353 1.00 0.00 H new ATOM 0 HA HIS B 5 3.401 8.201 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.230 8.052 -8.076 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.546 8.471 -8.326 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.007 10.774 -8.517 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.202 12.257 -4.992 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.801 12.849 -6.921 1.00 0.00 H new ATOM 400 N LEU B 6 1.990 6.186 -6.236 1.00 0.00 N ATOM 401 CA LEU B 6 1.144 5.026 -6.612 1.00 0.00 C ATOM 402 C LEU B 6 -0.214 5.492 -7.123 1.00 0.00 C ATOM 403 O LEU B 6 -0.959 6.146 -6.426 1.00 0.00 O ATOM 404 CB LEU B 6 0.942 4.165 -5.367 1.00 0.00 C ATOM 405 CG LEU B 6 2.121 3.207 -5.177 1.00 0.00 C ATOM 406 CD1 LEU B 6 1.888 1.969 -6.029 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.439 3.864 -5.597 1.00 0.00 C ATOM 0 H LEU B 6 1.631 6.757 -5.470 1.00 0.00 H new ATOM 0 HA LEU B 6 1.634 4.460 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.840 4.803 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.016 3.597 -5.457 1.00 0.00 H new ATOM 0 HG LEU B 6 2.190 2.942 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.722 1.278 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.963 1.483 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.812 2.258 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.259 3.161 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.386 4.147 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.612 4.753 -4.991 1.00 0.00 H new ATOM 419 N CYS B 7 -0.551 5.138 -8.329 1.00 0.00 N ATOM 420 CA CYS B 7 -1.873 5.546 -8.871 1.00 0.00 C ATOM 421 C CYS B 7 -2.458 4.415 -9.720 1.00 0.00 C ATOM 422 O CYS B 7 -2.043 4.182 -10.837 1.00 0.00 O ATOM 423 CB CYS B 7 -1.711 6.804 -9.728 1.00 0.00 C ATOM 424 SG CYS B 7 -1.275 8.203 -8.667 1.00 0.00 S ATOM 0 H CYS B 7 0.029 4.586 -8.961 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.550 5.758 -8.043 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.937 6.648 -10.479 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.637 7.014 -10.263 1.00 0.00 H new HETATM 429 N DAL B 8 -3.427 3.717 -9.195 1.00 0.00 N HETATM 430 CA DAL B 8 -4.057 2.603 -9.962 1.00 0.00 C HETATM 431 CB DAL B 8 -4.872 1.728 -9.008 1.00 0.00 C HETATM 432 C DAL B 8 -2.977 1.751 -10.637 1.00 0.00 C HETATM 433 O DAL B 8 -2.316 0.954 -10.002 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.216 1.317 -8.241 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.649 2.330 -8.536 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.333 0.913 -9.566 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.710 3.022 -10.728 1.00 0.00 H new HETATM 0 H DAL B 8 -3.579 3.794 -8.189 1.00 0.00 H new ATOM 439 N SER B 9 -2.808 1.912 -11.925 1.00 0.00 N ATOM 440 CA SER B 9 -1.785 1.113 -12.664 1.00 0.00 C ATOM 441 C SER B 9 -0.526 0.958 -11.812 1.00 0.00 C ATOM 442 O SER B 9 0.073 -0.098 -11.763 1.00 0.00 O ATOM 443 CB SER B 9 -1.430 1.829 -13.968 1.00 0.00 C ATOM 444 OG SER B 9 -2.148 3.054 -14.043 1.00 0.00 O ATOM 0 H SER B 9 -3.338 2.567 -12.500 1.00 0.00 H new ATOM 0 HA SER B 9 -2.191 0.126 -12.883 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.358 2.020 -14.011 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.676 1.197 -14.822 1.00 0.00 H new ATOM 0 HG SER B 9 -3.055 2.882 -14.371 1.00 0.00 H new ATOM 450 N ASP B 10 -0.122 1.995 -11.134 1.00 0.00 N ATOM 451 CA ASP B 10 1.095 1.892 -10.284 1.00 0.00 C ATOM 452 C ASP B 10 0.702 1.295 -8.938 1.00 0.00 C ATOM 453 O ASP B 10 1.452 0.563 -8.323 1.00 0.00 O ATOM 454 CB ASP B 10 1.703 3.280 -10.078 1.00 0.00 C ATOM 455 CG ASP B 10 3.143 3.290 -10.595 1.00 0.00 C ATOM 456 OD1 ASP B 10 3.717 2.219 -10.708 1.00 0.00 O ATOM 457 OD2 ASP B 10 3.646 4.367 -10.870 1.00 0.00 O ATOM 0 H ASP B 10 -0.580 2.906 -11.132 1.00 0.00 H new ATOM 0 HA ASP B 10 1.834 1.255 -10.770 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.112 4.029 -10.604 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.683 3.544 -9.021 1.00 0.00 H new ATOM 462 N LEU B 11 -0.479 1.592 -8.487 1.00 0.00 N ATOM 463 CA LEU B 11 -0.942 1.034 -7.190 1.00 0.00 C ATOM 464 C LEU B 11 -0.778 -0.481 -7.231 1.00 0.00 C ATOM 465 O LEU B 11 -0.054 -1.069 -6.452 1.00 0.00 O ATOM 466 CB LEU B 11 -2.430 1.349 -7.004 1.00 0.00 C ATOM 467 CG LEU B 11 -2.667 2.257 -5.783 1.00 0.00 C ATOM 468 CD1 LEU B 11 -1.818 1.788 -4.602 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.304 3.703 -6.122 1.00 0.00 C ATOM 0 H LEU B 11 -1.147 2.199 -8.961 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.363 1.467 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.815 1.835 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.987 0.420 -6.881 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.722 2.202 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.995 2.439 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.089 0.765 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.763 1.826 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.476 4.335 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.254 3.757 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.923 4.049 -6.949 1.00 0.00 H new ATOM 481 N VAL B 12 -1.459 -1.112 -8.144 1.00 0.00 N ATOM 482 CA VAL B 12 -1.375 -2.589 -8.265 1.00 0.00 C ATOM 483 C VAL B 12 0.052 -2.992 -8.645 1.00 0.00 C ATOM 484 O VAL B 12 0.649 -3.848 -8.024 1.00 0.00 O ATOM 485 CB VAL B 12 -2.350 -3.054 -9.345 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.688 -4.525 -9.127 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.634 -2.225 -9.263 1.00 0.00 C ATOM 0 H VAL B 12 -2.077 -0.661 -8.818 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.633 -3.054 -7.314 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.892 -2.925 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.384 -4.857 -9.898 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.776 -5.120 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.146 -4.652 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.331 -2.556 -10.033 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.089 -2.356 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.398 -1.172 -9.416 1.00 0.00 H new ATOM 497 N GLU B 13 0.606 -2.380 -9.657 1.00 0.00 N ATOM 498 CA GLU B 13 1.996 -2.732 -10.063 1.00 0.00 C ATOM 499 C GLU B 13 2.885 -2.751 -8.821 1.00 0.00 C ATOM 500 O GLU B 13 3.874 -3.455 -8.758 1.00 0.00 O ATOM 501 CB GLU B 13 2.520 -1.685 -11.047 1.00 0.00 C ATOM 502 CG GLU B 13 2.483 -2.252 -12.468 1.00 0.00 C ATOM 503 CD GLU B 13 3.822 -2.921 -12.788 1.00 0.00 C ATOM 504 OE1 GLU B 13 4.823 -2.490 -12.240 1.00 0.00 O ATOM 505 OE2 GLU B 13 3.823 -3.852 -13.577 1.00 0.00 O ATOM 0 H GLU B 13 0.158 -1.655 -10.217 1.00 0.00 H new ATOM 0 HA GLU B 13 2.005 -3.712 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.913 -0.781 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.539 -1.402 -10.784 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.672 -2.975 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.283 -1.455 -13.184 1.00 0.00 H new ATOM 512 N ALA B 14 2.530 -1.986 -7.829 1.00 0.00 N ATOM 513 CA ALA B 14 3.335 -1.951 -6.580 1.00 0.00 C ATOM 514 C ALA B 14 3.003 -3.181 -5.746 1.00 0.00 C ATOM 515 O ALA B 14 3.825 -4.053 -5.544 1.00 0.00 O ATOM 516 CB ALA B 14 2.971 -0.695 -5.796 1.00 0.00 C ATOM 0 H ALA B 14 1.710 -1.379 -7.831 1.00 0.00 H new ATOM 0 HA ALA B 14 4.399 -1.943 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.555 -0.658 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.188 0.186 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.909 -0.714 -5.550 1.00 0.00 H new ATOM 522 N LEU B 15 1.792 -3.264 -5.273 1.00 0.00 N ATOM 523 CA LEU B 15 1.395 -4.446 -4.464 1.00 0.00 C ATOM 524 C LEU B 15 1.828 -5.704 -5.212 1.00 0.00 C ATOM 525 O LEU B 15 2.113 -6.726 -4.621 1.00 0.00 O ATOM 526 CB LEU B 15 -0.121 -4.452 -4.273 1.00 0.00 C ATOM 527 CG LEU B 15 -0.539 -3.182 -3.519 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.045 -2.941 -3.678 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.202 -3.343 -2.035 1.00 0.00 C ATOM 0 H LEU B 15 1.062 -2.565 -5.412 1.00 0.00 H new ATOM 0 HA LEU B 15 1.871 -4.411 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.621 -4.496 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.426 -5.338 -3.715 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.000 -2.329 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.328 -2.037 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.285 -2.823 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.594 -3.792 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.497 -2.443 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.739 -4.201 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.871 -3.499 -1.920 1.00 0.00 H new ATOM 541 N TYR B 16 1.894 -5.630 -6.513 1.00 0.00 N ATOM 542 CA TYR B 16 2.324 -6.817 -7.301 1.00 0.00 C ATOM 543 C TYR B 16 3.792 -7.109 -6.990 1.00 0.00 C ATOM 544 O TYR B 16 4.195 -8.247 -6.854 1.00 0.00 O ATOM 545 CB TYR B 16 2.167 -6.527 -8.796 1.00 0.00 C ATOM 546 CG TYR B 16 2.479 -7.776 -9.586 1.00 0.00 C ATOM 547 CD1 TYR B 16 1.949 -9.009 -9.183 1.00 0.00 C ATOM 548 CD2 TYR B 16 3.298 -7.702 -10.720 1.00 0.00 C ATOM 549 CE1 TYR B 16 2.238 -10.169 -9.915 1.00 0.00 C ATOM 550 CE2 TYR B 16 3.588 -8.862 -11.453 1.00 0.00 C ATOM 551 CZ TYR B 16 3.057 -10.095 -11.049 1.00 0.00 C ATOM 552 OH TYR B 16 3.342 -11.238 -11.770 1.00 0.00 O ATOM 0 H TYR B 16 1.669 -4.801 -7.062 1.00 0.00 H new ATOM 0 HA TYR B 16 1.709 -7.678 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.151 -6.194 -9.008 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.836 -5.719 -9.093 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.318 -9.066 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.706 -6.751 -11.030 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.829 -11.119 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.219 -8.806 -12.327 1.00 0.00 H new ATOM 0 HH TYR B 16 3.922 -11.011 -12.527 1.00 0.00 H new ATOM 562 N LEU B 17 4.595 -6.086 -6.872 1.00 0.00 N ATOM 563 CA LEU B 17 6.037 -6.300 -6.564 1.00 0.00 C ATOM 564 C LEU B 17 6.216 -6.495 -5.057 1.00 0.00 C ATOM 565 O LEU B 17 6.822 -7.450 -4.613 1.00 0.00 O ATOM 566 CB LEU B 17 6.839 -5.077 -7.016 1.00 0.00 C ATOM 567 CG LEU B 17 7.726 -5.455 -8.202 1.00 0.00 C ATOM 568 CD1 LEU B 17 8.236 -4.184 -8.882 1.00 0.00 C ATOM 569 CD2 LEU B 17 8.916 -6.279 -7.706 1.00 0.00 C ATOM 0 H LEU B 17 4.314 -5.111 -6.976 1.00 0.00 H new ATOM 0 HA LEU B 17 6.393 -7.186 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.163 -4.270 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.452 -4.707 -6.194 1.00 0.00 H new ATOM 0 HG LEU B 17 7.148 -6.043 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.869 -4.453 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.389 -3.595 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.814 -3.597 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.549 -6.549 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.494 -5.691 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.554 -7.185 -7.220 1.00 0.00 H new ATOM 581 N VAL B 18 5.698 -5.593 -4.268 1.00 0.00 N ATOM 582 CA VAL B 18 5.845 -5.727 -2.788 1.00 0.00 C ATOM 583 C VAL B 18 5.084 -6.960 -2.303 1.00 0.00 C ATOM 584 O VAL B 18 5.583 -7.732 -1.508 1.00 0.00 O ATOM 585 CB VAL B 18 5.293 -4.483 -2.082 1.00 0.00 C ATOM 586 CG1 VAL B 18 6.388 -3.426 -1.990 1.00 0.00 C ATOM 587 CG2 VAL B 18 4.111 -3.912 -2.862 1.00 0.00 C ATOM 0 H VAL B 18 5.181 -4.772 -4.582 1.00 0.00 H new ATOM 0 HA VAL B 18 6.904 -5.831 -2.552 1.00 0.00 H new ATOM 0 HB VAL B 18 4.959 -4.764 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.998 -2.540 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.230 -3.823 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.720 -3.158 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.729 -3.029 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.436 -3.637 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.323 -4.662 -2.929 1.00 0.00 H new ATOM 597 N CYS B 19 3.880 -7.152 -2.764 1.00 0.00 N ATOM 598 CA CYS B 19 3.103 -8.337 -2.311 1.00 0.00 C ATOM 599 C CYS B 19 3.142 -9.423 -3.389 1.00 0.00 C ATOM 600 O CYS B 19 3.465 -10.564 -3.122 1.00 0.00 O ATOM 601 CB CYS B 19 1.652 -7.931 -2.043 1.00 0.00 C ATOM 602 SG CYS B 19 1.494 -7.364 -0.331 1.00 0.00 S ATOM 0 H CYS B 19 3.404 -6.544 -3.430 1.00 0.00 H new ATOM 0 HA CYS B 19 3.544 -8.725 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.351 -7.139 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.987 -8.776 -2.221 1.00 0.00 H new ATOM 607 N GLY B 20 2.816 -9.081 -4.606 1.00 0.00 N ATOM 608 CA GLY B 20 2.840 -10.098 -5.696 1.00 0.00 C ATOM 609 C GLY B 20 1.798 -11.180 -5.424 1.00 0.00 C ATOM 610 O GLY B 20 0.696 -10.908 -4.987 1.00 0.00 O ATOM 0 H GLY B 20 2.535 -8.143 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.638 -9.620 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.831 -10.546 -5.765 1.00 0.00 H new ATOM 614 N GLU B 21 2.141 -12.409 -5.688 1.00 0.00 N ATOM 615 CA GLU B 21 1.182 -13.525 -5.459 1.00 0.00 C ATOM 616 C GLU B 21 0.879 -13.658 -3.964 1.00 0.00 C ATOM 617 O GLU B 21 0.012 -14.410 -3.565 1.00 0.00 O ATOM 618 CB GLU B 21 1.802 -14.824 -5.972 1.00 0.00 C ATOM 619 CG GLU B 21 2.220 -14.646 -7.433 1.00 0.00 C ATOM 620 CD GLU B 21 1.766 -15.859 -8.247 1.00 0.00 C ATOM 621 OE1 GLU B 21 2.033 -16.969 -7.818 1.00 0.00 O ATOM 622 OE2 GLU B 21 1.161 -15.657 -9.287 1.00 0.00 O ATOM 0 H GLU B 21 3.050 -12.690 -6.055 1.00 0.00 H new ATOM 0 HA GLU B 21 0.252 -13.320 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.667 -15.092 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.086 -15.641 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.779 -13.736 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.302 -14.534 -7.501 1.00 0.00 H new ATOM 629 N ARG B 22 1.580 -12.937 -3.133 1.00 0.00 N ATOM 630 CA ARG B 22 1.320 -13.033 -1.670 1.00 0.00 C ATOM 631 C ARG B 22 -0.165 -12.788 -1.404 1.00 0.00 C ATOM 632 O ARG B 22 -0.692 -13.159 -0.374 1.00 0.00 O ATOM 633 CB ARG B 22 2.151 -11.981 -0.930 1.00 0.00 C ATOM 634 CG ARG B 22 3.637 -12.328 -1.049 1.00 0.00 C ATOM 635 CD ARG B 22 3.973 -13.474 -0.093 1.00 0.00 C ATOM 636 NE ARG B 22 5.177 -13.115 0.709 1.00 0.00 N ATOM 637 CZ ARG B 22 5.057 -12.856 1.983 1.00 0.00 C ATOM 638 NH1 ARG B 22 4.358 -13.650 2.746 1.00 0.00 N ATOM 639 NH2 ARG B 22 5.637 -11.804 2.492 1.00 0.00 N ATOM 0 H ARG B 22 2.319 -12.288 -3.403 1.00 0.00 H new ATOM 0 HA ARG B 22 1.597 -14.026 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.963 -10.993 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.858 -11.943 0.119 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.873 -12.614 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.245 -11.454 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.128 -13.670 0.567 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.157 -14.389 -0.656 1.00 0.00 H new ATOM 0 HE ARG B 22 6.093 -13.072 0.263 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.906 -14.473 2.347 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.264 -13.448 3.741 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.184 -11.184 1.895 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.543 -11.601 3.487 1.00 0.00 H new ATOM 653 N GLY B 23 -0.844 -12.170 -2.329 1.00 0.00 N ATOM 654 CA GLY B 23 -2.299 -11.903 -2.133 1.00 0.00 C ATOM 655 C GLY B 23 -2.506 -10.424 -1.779 1.00 0.00 C ATOM 656 O GLY B 23 -2.704 -10.078 -0.633 1.00 0.00 O ATOM 0 H GLY B 23 -0.456 -11.838 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.850 -12.151 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.692 -12.537 -1.338 1.00 0.00 H new ATOM 660 N PHE B 24 -2.466 -9.546 -2.750 1.00 0.00 N ATOM 661 CA PHE B 24 -2.664 -8.099 -2.450 1.00 0.00 C ATOM 662 C PHE B 24 -3.967 -7.617 -3.085 1.00 0.00 C ATOM 663 O PHE B 24 -4.369 -8.074 -4.137 1.00 0.00 O ATOM 664 CB PHE B 24 -1.491 -7.279 -3.005 1.00 0.00 C ATOM 665 CG PHE B 24 -1.612 -7.151 -4.508 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.490 -6.209 -5.067 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.851 -7.979 -5.343 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.602 -6.099 -6.459 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.967 -7.870 -6.735 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.843 -6.930 -7.292 1.00 0.00 C ATOM 0 H PHE B 24 -2.305 -9.769 -3.732 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.713 -7.966 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.480 -6.290 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.547 -7.760 -2.748 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.078 -5.570 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.174 -8.702 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.275 -5.372 -6.890 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.381 -8.510 -7.378 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.933 -6.846 -8.365 1.00 0.00 H new ATOM 680 N PHE B 25 -4.624 -6.691 -2.450 1.00 0.00 N ATOM 681 CA PHE B 25 -5.900 -6.161 -3.002 1.00 0.00 C ATOM 682 C PHE B 25 -6.132 -4.744 -2.472 1.00 0.00 C ATOM 683 O PHE B 25 -6.603 -4.555 -1.368 1.00 0.00 O ATOM 684 CB PHE B 25 -7.059 -7.065 -2.571 1.00 0.00 C ATOM 685 CG PHE B 25 -8.111 -7.086 -3.653 1.00 0.00 C ATOM 686 CD1 PHE B 25 -8.269 -5.981 -4.499 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.929 -8.213 -3.811 1.00 0.00 C ATOM 688 CE1 PHE B 25 -9.244 -6.002 -5.504 1.00 0.00 C ATOM 689 CE2 PHE B 25 -9.905 -8.234 -4.816 1.00 0.00 C ATOM 690 CZ PHE B 25 -10.063 -7.128 -5.662 1.00 0.00 C ATOM 0 H PHE B 25 -4.331 -6.275 -1.566 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.845 -6.139 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.696 -8.075 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.489 -6.702 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.639 -5.113 -4.376 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.807 -9.065 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.365 -5.150 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.535 -9.102 -4.939 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.816 -7.143 -6.436 1.00 0.00 H new ATOM 700 N TYR B 26 -5.802 -3.745 -3.247 1.00 0.00 N ATOM 701 CA TYR B 26 -6.001 -2.344 -2.778 1.00 0.00 C ATOM 702 C TYR B 26 -7.495 -2.004 -2.798 1.00 0.00 C ATOM 703 O TYR B 26 -8.301 -2.735 -3.339 1.00 0.00 O ATOM 704 CB TYR B 26 -5.223 -1.381 -3.689 1.00 0.00 C ATOM 705 CG TYR B 26 -6.014 -1.085 -4.945 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.742 -2.101 -5.577 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.016 0.212 -5.478 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.473 -1.821 -6.740 1.00 0.00 C ATOM 709 CE2 TYR B 26 -6.747 0.492 -6.641 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.475 -0.525 -7.271 1.00 0.00 C ATOM 711 OH TYR B 26 -8.194 -0.250 -8.417 1.00 0.00 O ATOM 0 H TYR B 26 -5.404 -3.839 -4.182 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.629 -2.243 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.016 -0.453 -3.155 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.260 -1.819 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.740 -3.101 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.454 0.996 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.035 -2.605 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.749 1.491 -7.051 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.089 0.696 -8.650 1.00 0.00 H new ATOM 721 N THR B 27 -7.871 -0.901 -2.210 1.00 0.00 N ATOM 722 CA THR B 27 -9.311 -0.518 -2.197 1.00 0.00 C ATOM 723 C THR B 27 -9.481 0.858 -2.843 1.00 0.00 C ATOM 724 O THR B 27 -8.713 1.768 -2.600 1.00 0.00 O ATOM 725 CB THR B 27 -9.812 -0.467 -0.752 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.790 -0.933 0.119 1.00 0.00 O ATOM 727 CG2 THR B 27 -11.051 -1.353 -0.609 1.00 0.00 C ATOM 0 H THR B 27 -7.244 -0.249 -1.739 1.00 0.00 H new ATOM 0 HA THR B 27 -9.887 -1.255 -2.757 1.00 0.00 H new ATOM 0 HB THR B 27 -10.070 0.560 -0.492 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.109 -0.899 1.045 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.408 -1.316 0.420 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.834 -0.994 -1.277 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.795 -2.380 -0.868 1.00 0.00 H new ATOM 735 N LYS B 28 -10.481 1.018 -3.666 1.00 0.00 N ATOM 736 CA LYS B 28 -10.698 2.335 -4.328 1.00 0.00 C ATOM 737 C LYS B 28 -11.249 3.340 -3.315 1.00 0.00 C ATOM 738 O LYS B 28 -10.677 4.393 -3.120 1.00 0.00 O ATOM 739 CB LYS B 28 -11.701 2.176 -5.468 1.00 0.00 C ATOM 740 CG LYS B 28 -10.973 2.244 -6.812 1.00 0.00 C ATOM 741 CD LYS B 28 -11.618 1.261 -7.790 1.00 0.00 C ATOM 742 CE LYS B 28 -13.035 1.729 -8.127 1.00 0.00 C ATOM 743 NZ LYS B 28 -13.355 1.369 -9.537 1.00 0.00 N ATOM 0 H LYS B 28 -11.157 0.294 -3.908 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.747 2.696 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.223 1.224 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.456 2.961 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.020 3.257 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.918 2.003 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.021 1.192 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.648 0.263 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.753 1.266 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.116 2.807 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.318 1.687 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.677 1.831 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.294 0.337 -9.654 1.00 0.00 H new ATOM 757 N PRO B 29 -12.352 2.988 -2.702 1.00 0.00 N ATOM 758 CA PRO B 29 -13.008 3.849 -1.707 1.00 0.00 C ATOM 759 C PRO B 29 -12.254 3.799 -0.378 1.00 0.00 C ATOM 760 O PRO B 29 -11.092 3.451 -0.321 1.00 0.00 O ATOM 761 CB PRO B 29 -14.408 3.241 -1.568 1.00 0.00 C ATOM 762 CG PRO B 29 -14.291 1.773 -2.037 1.00 0.00 C ATOM 763 CD PRO B 29 -13.044 1.701 -2.937 1.00 0.00 C ATOM 0 HA PRO B 29 -13.035 4.899 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.754 3.293 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.131 3.787 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.194 1.100 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.183 1.468 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.411 0.854 -2.673 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.316 1.581 -3.986 1.00 0.00 H new ATOM 771 N THR B 30 -12.913 4.143 0.689 1.00 0.00 N ATOM 772 CA THR B 30 -12.247 4.121 2.022 1.00 0.00 C ATOM 773 C THR B 30 -12.403 2.732 2.646 1.00 0.00 C ATOM 774 O THR B 30 -11.578 2.380 3.474 1.00 0.00 O ATOM 775 CB THR B 30 -12.897 5.166 2.932 1.00 0.00 C ATOM 776 OG1 THR B 30 -14.308 4.997 2.910 1.00 0.00 O ATOM 777 CG2 THR B 30 -12.542 6.568 2.437 1.00 0.00 C ATOM 778 OXT THR B 30 -13.344 2.044 2.286 1.00 0.00 O ATOM 0 H THR B 30 -13.889 4.440 0.698 1.00 0.00 H new ATOM 0 HA THR B 30 -11.188 4.349 1.905 1.00 0.00 H new ATOM 0 HB THR B 30 -12.531 5.040 3.951 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.726 5.664 3.493 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.005 7.311 3.086 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.460 6.696 2.453 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.907 6.698 1.418 1.00 0.00 H new TER 786 THR B 30