USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ -124:sc= 0.396 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.337 K(o=0.73,f=-0.32) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.191 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 19 TYR OH : rot 8:sc= -0.0162 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.135 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.18) USER MOD Single : B 4 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.65) USER MOD Single : B 5 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-7.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.156 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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 49:sc= 0.727 USER MOD Single : B 29 LYS NZ :NH3+ 163:sc= -0.0584 (180deg=-0.369) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0763 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.689 -0.304 -0.689 1.00 25.00 N ATOM 2 CA GLY A 1 1.795 1.128 -1.115 1.00 25.00 C ATOM 3 C GLY A 1 1.389 1.301 -2.554 1.00 25.00 C ATOM 4 O GLY A 1 1.624 0.397 -3.327 1.00 25.00 O ATOM 0 H1 GLY A 1 1.069 -0.374 0.143 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.290 -0.869 -1.466 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.634 -0.665 -0.448 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.162 1.747 -0.479 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.819 1.475 -0.979 1.00 25.00 H new ATOM 10 N ILE A 2 0.768 2.416 -2.924 1.00 25.00 N ATOM 11 CA ILE A 2 0.174 2.556 -4.263 1.00 25.00 C ATOM 12 C ILE A 2 1.167 2.320 -5.410 1.00 25.00 C ATOM 13 O ILE A 2 0.839 1.658 -6.392 1.00 25.00 O ATOM 14 CB ILE A 2 -0.550 3.935 -4.399 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.437 3.922 -5.650 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.460 5.127 -4.406 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.339 5.129 -5.786 1.00 25.00 C ATOM 0 H ILE A 2 0.659 3.235 -2.325 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.564 1.760 -4.358 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.183 4.087 -3.525 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.800 3.858 -6.532 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.053 3.023 -5.635 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.086 6.066 -4.502 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.026 5.130 -3.474 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.146 5.018 -5.246 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.931 5.040 -6.697 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.004 5.185 -4.924 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.732 6.033 -5.835 1.00 25.00 H new ATOM 29 N VAL A 3 2.398 2.778 -5.243 1.00 25.00 N ATOM 30 CA VAL A 3 3.421 2.597 -6.264 1.00 25.00 C ATOM 31 C VAL A 3 3.705 1.115 -6.463 1.00 25.00 C ATOM 32 O VAL A 3 3.797 0.644 -7.582 1.00 25.00 O ATOM 33 CB VAL A 3 4.723 3.347 -5.879 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.744 3.288 -7.023 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.400 4.816 -5.528 1.00 25.00 C ATOM 0 H VAL A 3 2.714 3.277 -4.412 1.00 25.00 H new ATOM 0 HA VAL A 3 3.051 3.015 -7.200 1.00 25.00 H new ATOM 0 HB VAL A 3 5.159 2.859 -5.007 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.649 3.820 -6.731 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.989 2.248 -7.239 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.321 3.754 -7.913 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.319 5.336 -5.259 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.946 5.305 -6.390 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.707 4.845 -4.687 1.00 25.00 H new ATOM 45 N GLU A 4 3.789 0.370 -5.371 1.00 25.00 N ATOM 46 CA GLU A 4 4.043 -1.057 -5.443 1.00 25.00 C ATOM 47 C GLU A 4 2.889 -1.786 -6.119 1.00 25.00 C ATOM 48 O GLU A 4 3.119 -2.688 -6.917 1.00 25.00 O ATOM 49 CB GLU A 4 4.262 -1.615 -4.034 1.00 25.00 C ATOM 50 CG GLU A 4 4.697 -3.069 -4.012 1.00 25.00 C ATOM 51 CD GLU A 4 6.060 -3.273 -4.611 1.00 25.00 C ATOM 52 OE1 GLU A 4 6.936 -2.460 -4.560 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.197 -4.402 -5.208 1.00 25.00 O ATOM 0 H GLU A 4 3.684 0.733 -4.424 1.00 25.00 H new ATOM 0 HA GLU A 4 4.940 -1.216 -6.041 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.016 -1.012 -3.528 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.338 -1.513 -3.465 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.699 -3.428 -2.983 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.970 -3.670 -4.558 1.00 25.00 H new ATOM 61 N GLN A 5 1.653 -1.396 -5.818 1.00 25.00 N ATOM 62 CA GLN A 5 0.496 -2.072 -6.409 1.00 25.00 C ATOM 63 C GLN A 5 0.531 -1.935 -7.928 1.00 25.00 C ATOM 64 O GLN A 5 0.302 -2.898 -8.646 1.00 25.00 O ATOM 65 CB GLN A 5 -0.841 -1.509 -5.891 1.00 25.00 C ATOM 66 CG GLN A 5 -0.990 -1.370 -4.365 1.00 25.00 C ATOM 67 CD GLN A 5 -0.383 -2.509 -3.560 1.00 25.00 C ATOM 68 OE1 GLN A 5 0.508 -2.290 -2.740 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.873 -3.705 -3.758 1.00 25.00 N ATOM 0 H GLN A 5 1.426 -0.632 -5.182 1.00 25.00 H new ATOM 0 HA GLN A 5 0.559 -3.120 -6.116 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.992 -0.526 -6.338 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.644 -2.151 -6.254 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.526 -0.435 -4.052 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.050 -1.297 -4.122 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.612 -3.846 -4.447 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.517 -4.497 -3.223 1.00 25.00 H new ATOM 78 N CYS A 6 0.841 -0.738 -8.409 1.00 25.00 N ATOM 79 CA CYS A 6 0.918 -0.485 -9.845 1.00 25.00 C ATOM 80 C CYS A 6 2.159 -1.107 -10.478 1.00 25.00 C ATOM 81 O CYS A 6 2.147 -1.469 -11.654 1.00 25.00 O ATOM 82 CB CYS A 6 0.917 1.020 -10.103 1.00 25.00 C ATOM 83 SG CYS A 6 -0.760 1.722 -10.015 1.00 25.00 S ATOM 0 H CYS A 6 1.044 0.075 -7.827 1.00 25.00 H new ATOM 0 HA CYS A 6 0.045 -0.950 -10.304 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.556 1.514 -9.372 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.343 1.220 -11.086 1.00 25.00 H new ATOM 88 N CYS A 7 3.230 -1.219 -9.708 1.00 25.00 N ATOM 89 CA CYS A 7 4.476 -1.773 -10.210 1.00 25.00 C ATOM 90 C CYS A 7 4.335 -3.273 -10.459 1.00 25.00 C ATOM 91 O CYS A 7 4.680 -3.769 -11.529 1.00 25.00 O ATOM 92 CB CYS A 7 5.602 -1.521 -9.197 1.00 25.00 C ATOM 93 SG CYS A 7 7.274 -1.907 -9.814 1.00 25.00 S ATOM 0 H CYS A 7 3.260 -0.932 -8.730 1.00 25.00 H new ATOM 0 HA CYS A 7 4.718 -1.284 -11.153 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.573 -0.475 -8.893 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.411 -2.117 -8.305 1.00 25.00 H new ATOM 98 N THR A 8 3.845 -3.993 -9.457 1.00 25.00 N ATOM 99 CA THR A 8 3.770 -5.453 -9.524 1.00 25.00 C ATOM 100 C THR A 8 2.476 -5.970 -10.159 1.00 25.00 C ATOM 101 O THR A 8 2.430 -7.083 -10.674 1.00 25.00 O ATOM 102 CB THR A 8 3.972 -6.077 -8.106 1.00 25.00 C ATOM 103 OG1 THR A 8 4.360 -7.446 -8.236 1.00 25.00 O ATOM 104 CG2 THR A 8 2.707 -6.021 -7.257 1.00 25.00 C ATOM 0 H THR A 8 3.493 -3.593 -8.587 1.00 25.00 H new ATOM 0 HA THR A 8 4.580 -5.771 -10.181 1.00 25.00 H new ATOM 0 HB THR A 8 4.745 -5.490 -7.609 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.488 -7.836 -7.346 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.903 -6.468 -6.282 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.403 -4.983 -7.126 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.910 -6.573 -7.755 1.00 25.00 H new ATOM 112 N SER A 9 1.419 -5.166 -10.148 1.00 25.00 N ATOM 113 CA SER A 9 0.142 -5.600 -10.703 1.00 25.00 C ATOM 114 C SER A 9 -0.502 -4.486 -11.517 1.00 25.00 C ATOM 115 O SER A 9 0.149 -3.514 -11.857 1.00 25.00 O ATOM 116 CB SER A 9 -0.791 -6.096 -9.593 1.00 25.00 C ATOM 117 OG SER A 9 -1.868 -6.848 -10.132 1.00 25.00 O ATOM 0 H SER A 9 1.419 -4.220 -9.766 1.00 25.00 H new ATOM 0 HA SER A 9 0.327 -6.435 -11.378 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.230 -6.711 -8.889 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.181 -5.246 -9.033 1.00 25.00 H new ATOM 0 HG SER A 9 -2.449 -7.155 -9.405 1.00 25.00 H new ATOM 123 N ILE A 10 -1.697 -4.732 -12.025 1.00 25.00 N ATOM 124 CA ILE A 10 -2.270 -3.872 -13.056 1.00 25.00 C ATOM 125 C ILE A 10 -2.666 -2.508 -12.509 1.00 25.00 C ATOM 126 O ILE A 10 -3.489 -2.381 -11.599 1.00 25.00 O ATOM 127 CB ILE A 10 -3.485 -4.560 -13.740 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.044 -5.873 -14.428 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.172 -3.601 -14.744 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.994 -5.717 -15.535 1.00 25.00 C ATOM 0 H ILE A 10 -2.289 -5.514 -11.745 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.494 -3.710 -13.804 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.217 -4.810 -12.972 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.648 -6.546 -13.668 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.925 -6.354 -14.852 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.019 -4.106 -15.209 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.523 -2.714 -14.217 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.458 -3.307 -15.513 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.755 -6.696 -15.951 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.388 -5.075 -16.322 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.091 -5.269 -15.120 1.00 25.00 H new ATOM 142 N CYS A 11 -2.083 -1.482 -13.109 1.00 25.00 N ATOM 143 CA CYS A 11 -2.373 -0.106 -12.754 1.00 25.00 C ATOM 144 C CYS A 11 -3.449 0.407 -13.708 1.00 25.00 C ATOM 145 O CYS A 11 -3.164 0.949 -14.775 1.00 25.00 O ATOM 146 CB CYS A 11 -1.099 0.720 -12.867 1.00 25.00 C ATOM 147 SG CYS A 11 -1.133 2.281 -11.930 1.00 25.00 S ATOM 0 H CYS A 11 -1.396 -1.582 -13.856 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.734 -0.030 -11.728 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.258 0.119 -12.519 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -0.917 0.945 -13.918 1.00 25.00 H new ATOM 152 N SER A 12 -4.698 0.157 -13.351 1.00 25.00 N ATOM 153 CA SER A 12 -5.830 0.576 -14.169 1.00 25.00 C ATOM 154 C SER A 12 -6.016 2.083 -14.034 1.00 25.00 C ATOM 155 O SER A 12 -5.411 2.708 -13.171 1.00 25.00 O ATOM 156 CB SER A 12 -7.092 -0.145 -13.698 1.00 25.00 C ATOM 157 OG SER A 12 -7.378 0.198 -12.353 1.00 25.00 O ATOM 0 H SER A 12 -4.957 -0.336 -12.497 1.00 25.00 H new ATOM 0 HA SER A 12 -5.643 0.326 -15.213 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.933 0.124 -14.337 1.00 25.00 H new ATOM 0 HB3 SER A 12 -6.958 -1.223 -13.785 1.00 25.00 H new ATOM 0 HG SER A 12 -8.089 -0.383 -12.011 1.00 25.00 H new ATOM 163 N LEU A 13 -6.893 2.660 -14.843 1.00 25.00 N ATOM 164 CA LEU A 13 -7.173 4.097 -14.761 1.00 25.00 C ATOM 165 C LEU A 13 -7.698 4.483 -13.371 1.00 25.00 C ATOM 166 O LEU A 13 -7.488 5.594 -12.916 1.00 25.00 O ATOM 167 CB LEU A 13 -8.167 4.511 -15.858 1.00 25.00 C ATOM 168 CG LEU A 13 -9.626 4.037 -15.717 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.496 5.126 -15.089 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.187 3.657 -17.081 1.00 25.00 C ATOM 0 H LEU A 13 -7.422 2.165 -15.560 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.238 4.635 -14.920 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.172 5.600 -15.913 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.786 4.145 -16.811 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.637 3.164 -15.064 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.521 4.767 -15.000 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.111 5.373 -14.100 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.477 6.015 -15.719 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.219 3.323 -16.970 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.155 4.523 -17.742 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.589 2.852 -17.509 1.00 25.00 H new ATOM 182 N TYR A 14 -8.345 3.550 -12.690 1.00 25.00 N ATOM 183 CA TYR A 14 -8.875 3.803 -11.354 1.00 25.00 C ATOM 184 C TYR A 14 -7.739 3.910 -10.341 1.00 25.00 C ATOM 185 O TYR A 14 -7.762 4.749 -9.454 1.00 25.00 O ATOM 186 CB TYR A 14 -9.815 2.669 -10.955 1.00 25.00 C ATOM 187 CG TYR A 14 -10.795 2.309 -12.048 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.873 3.160 -12.365 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.650 1.110 -12.777 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.785 2.827 -13.403 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.559 0.775 -13.818 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.615 1.642 -14.122 1.00 25.00 C ATOM 193 OH TYR A 14 -13.491 1.332 -15.130 1.00 25.00 O ATOM 0 H TYR A 14 -8.517 2.607 -13.039 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.423 4.745 -11.365 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.226 1.789 -10.697 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.366 2.958 -10.060 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.008 4.078 -11.812 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.838 0.438 -12.541 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.607 3.488 -13.635 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.435 -0.144 -14.371 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.236 0.476 -15.533 1.00 25.00 H new ATOM 203 N GLN A 15 -6.722 3.076 -10.512 1.00 25.00 N ATOM 204 CA GLN A 15 -5.550 3.114 -9.641 1.00 25.00 C ATOM 205 C GLN A 15 -4.815 4.425 -9.880 1.00 25.00 C ATOM 206 O GLN A 15 -4.347 5.068 -8.954 1.00 25.00 O ATOM 207 CB GLN A 15 -4.613 1.937 -9.945 1.00 25.00 C ATOM 208 CG GLN A 15 -5.224 0.553 -9.705 1.00 25.00 C ATOM 209 CD GLN A 15 -5.103 0.098 -8.263 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.339 0.852 -7.334 1.00 25.00 O ATOM 211 NE2 GLN A 15 -4.724 -1.140 -8.075 1.00 25.00 N ATOM 0 H GLN A 15 -6.683 2.366 -11.243 1.00 25.00 H new ATOM 0 HA GLN A 15 -5.868 3.039 -8.601 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.295 2.003 -10.985 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.718 2.035 -9.331 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.276 0.572 -9.988 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.733 -0.173 -10.353 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.535 -1.743 -8.876 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.617 -1.502 -7.128 1.00 25.00 H new ATOM 220 N LEU A 16 -4.747 4.826 -11.141 1.00 25.00 N ATOM 221 CA LEU A 16 -4.093 6.071 -11.530 1.00 25.00 C ATOM 222 C LEU A 16 -4.827 7.298 -10.980 1.00 25.00 C ATOM 223 O LEU A 16 -4.192 8.251 -10.560 1.00 25.00 O ATOM 224 CB LEU A 16 -3.967 6.138 -13.054 1.00 25.00 C ATOM 225 CG LEU A 16 -2.920 5.159 -13.619 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.109 4.936 -15.104 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.508 5.674 -13.374 1.00 25.00 C ATOM 0 H LEU A 16 -5.141 4.301 -11.922 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.095 6.081 -11.093 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.937 5.922 -13.502 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.700 7.154 -13.346 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.061 4.212 -13.099 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.352 4.240 -15.467 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.100 4.522 -15.286 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.010 5.886 -15.630 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.787 4.966 -13.782 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.383 6.641 -13.862 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.342 5.785 -12.302 1.00 25.00 H new ATOM 239 N GLU A 17 -6.153 7.260 -10.937 1.00 25.00 N ATOM 240 CA GLU A 17 -6.936 8.367 -10.367 1.00 25.00 C ATOM 241 C GLU A 17 -6.574 8.628 -8.905 1.00 25.00 C ATOM 242 O GLU A 17 -6.627 9.756 -8.449 1.00 25.00 O ATOM 243 CB GLU A 17 -8.439 8.063 -10.434 1.00 25.00 C ATOM 244 CG GLU A 17 -9.094 8.386 -11.765 1.00 25.00 C ATOM 245 CD GLU A 17 -9.448 9.845 -11.896 1.00 25.00 C ATOM 246 OE1 GLU A 17 -8.638 10.729 -11.966 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.723 10.066 -11.914 1.00 25.00 O ATOM 0 H GLU A 17 -6.713 6.482 -11.286 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.698 9.249 -10.961 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.592 7.006 -10.217 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.945 8.626 -9.650 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.421 8.105 -12.575 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.996 7.785 -11.877 1.00 25.00 H new ATOM 255 N ASN A 18 -6.191 7.588 -8.181 1.00 25.00 N ATOM 256 CA ASN A 18 -5.830 7.721 -6.765 1.00 25.00 C ATOM 257 C ASN A 18 -4.559 8.562 -6.556 1.00 25.00 C ATOM 258 O ASN A 18 -4.358 9.126 -5.489 1.00 25.00 O ATOM 259 CB ASN A 18 -5.678 6.346 -6.113 1.00 25.00 C ATOM 260 CG ASN A 18 -6.973 5.576 -6.070 1.00 25.00 C ATOM 261 OD1 ASN A 18 -8.032 6.130 -5.845 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.889 4.289 -6.274 1.00 25.00 N ATOM 0 H ASN A 18 -6.120 6.638 -8.545 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.648 8.254 -6.280 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.935 5.768 -6.662 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.300 6.469 -5.098 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.730 3.712 -6.248 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.982 3.860 -6.460 1.00 25.00 H new ATOM 269 N TYR A 19 -3.676 8.591 -7.549 1.00 25.00 N ATOM 270 CA TYR A 19 -2.449 9.402 -7.470 1.00 25.00 C ATOM 271 C TYR A 19 -2.794 10.893 -7.548 1.00 25.00 C ATOM 272 O TYR A 19 -2.040 11.741 -7.075 1.00 25.00 O ATOM 273 CB TYR A 19 -1.525 9.085 -8.646 1.00 25.00 C ATOM 274 CG TYR A 19 -0.789 7.770 -8.551 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.411 6.567 -8.923 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.547 7.724 -8.107 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.713 5.339 -8.869 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.251 6.494 -8.050 1.00 25.00 C ATOM 279 CZ TYR A 19 0.611 5.314 -8.439 1.00 25.00 C ATOM 280 OH TYR A 19 1.280 4.123 -8.400 1.00 25.00 O ATOM 0 H TYR A 19 -3.779 8.067 -8.418 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.958 9.169 -6.525 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.116 9.087 -9.562 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.792 9.887 -8.738 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.438 6.580 -9.255 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.041 8.636 -7.806 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.205 4.423 -9.160 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.275 6.469 -7.708 1.00 25.00 H new ATOM 0 HH TYR A 19 0.736 3.428 -8.825 1.00 25.00 H new ATOM 290 N CYS A 20 -3.914 11.212 -8.183 1.00 25.00 N ATOM 291 CA CYS A 20 -4.345 12.597 -8.327 1.00 25.00 C ATOM 292 C CYS A 20 -4.864 13.097 -6.982 1.00 25.00 C ATOM 293 O CYS A 20 -5.612 12.417 -6.290 1.00 25.00 O ATOM 294 CB CYS A 20 -5.459 12.706 -9.376 1.00 25.00 C ATOM 295 SG CYS A 20 -4.935 12.256 -11.062 1.00 25.00 S ATOM 0 H CYS A 20 -4.542 10.529 -8.607 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.499 13.202 -8.652 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -6.287 12.062 -9.080 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.837 13.728 -9.385 1.00 25.00 H new ATOM 300 N ASN A 21 -4.469 14.315 -6.601 1.00 25.00 N ATOM 301 CA ASN A 21 -4.900 14.906 -5.326 1.00 25.00 C ATOM 302 C ASN A 21 -5.049 16.420 -5.406 1.00 25.00 C ATOM 303 O ASN A 21 -6.080 17.008 -5.185 1.00 25.00 O ATOM 304 CB ASN A 21 -3.964 14.489 -4.175 1.00 25.00 C ATOM 305 CG ASN A 21 -4.569 14.871 -2.861 1.00 25.00 C ATOM 306 OD1 ASN A 21 -4.395 15.935 -2.327 1.00 25.00 O ATOM 307 ND2 ASN A 21 -5.331 13.948 -2.293 1.00 25.00 N ATOM 308 OXT ASN A 21 -3.988 17.044 -5.808 1.00 25.00 O ATOM 0 H ASN A 21 -3.853 14.911 -7.154 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.892 14.509 -5.112 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.792 13.413 -4.207 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.993 14.971 -4.292 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -5.776 14.136 -1.395 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -5.472 13.049 -2.754 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.923 2.342 -22.270 1.00 25.00 N ATOM 318 CA PHE B 1 -7.683 2.021 -21.508 1.00 25.00 C ATOM 319 C PHE B 1 -7.325 0.558 -21.702 1.00 25.00 C ATOM 320 O PHE B 1 -8.187 -0.216 -22.077 1.00 25.00 O ATOM 321 CB PHE B 1 -7.902 2.327 -20.017 1.00 25.00 C ATOM 322 CG PHE B 1 -6.624 2.508 -19.238 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.937 3.739 -19.270 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.094 1.453 -18.468 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.728 3.913 -18.551 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.883 1.619 -17.745 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.200 2.848 -17.795 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.682 2.928 -23.095 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.371 1.460 -22.591 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.583 2.862 -21.657 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.860 2.633 -21.876 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.503 3.232 -19.926 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.477 1.516 -19.570 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.337 4.559 -19.849 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.615 0.508 -18.427 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.212 4.861 -18.583 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.487 0.803 -17.158 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.273 2.975 -17.255 1.00 25.00 H new ATOM 339 N VAL B 2 -6.072 0.183 -21.476 1.00 25.00 N ATOM 340 CA VAL B 2 -5.621 -1.202 -21.658 1.00 25.00 C ATOM 341 C VAL B 2 -4.821 -1.570 -20.412 1.00 25.00 C ATOM 342 O VAL B 2 -4.184 -0.700 -19.814 1.00 25.00 O ATOM 343 CB VAL B 2 -4.777 -1.364 -22.975 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.473 -0.544 -22.921 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.463 -2.839 -23.253 1.00 25.00 C ATOM 0 H VAL B 2 -5.340 0.821 -21.163 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.469 -1.876 -21.774 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.385 -0.977 -23.793 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.918 -0.682 -23.849 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.712 0.512 -22.795 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.866 -0.881 -22.081 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.879 -2.920 -24.170 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -3.893 -3.253 -22.421 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.394 -3.394 -23.366 1.00 25.00 H new ATOM 355 N ASN B 3 -4.929 -2.814 -19.958 1.00 25.00 N ATOM 356 CA ASN B 3 -4.224 -3.225 -18.747 1.00 25.00 C ATOM 357 C ASN B 3 -2.727 -3.152 -18.961 1.00 25.00 C ATOM 358 O ASN B 3 -2.219 -3.534 -20.006 1.00 25.00 O ATOM 359 CB ASN B 3 -4.581 -4.649 -18.296 1.00 25.00 C ATOM 360 CG ASN B 3 -4.049 -5.720 -19.224 1.00 25.00 C ATOM 361 OD1 ASN B 3 -2.975 -6.245 -19.002 1.00 25.00 O ATOM 362 ND2 ASN B 3 -4.815 -6.084 -20.218 1.00 25.00 N ATOM 0 H ASN B 3 -5.487 -3.544 -20.400 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.540 -2.535 -17.965 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.185 -4.816 -17.294 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.665 -4.741 -18.229 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.519 -6.834 -20.842 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.709 -5.618 -20.370 1.00 25.00 H new ATOM 369 N GLN B 4 -2.034 -2.645 -17.956 1.00 25.00 N ATOM 370 CA GLN B 4 -0.588 -2.579 -17.977 1.00 25.00 C ATOM 371 C GLN B 4 -0.058 -2.427 -16.558 1.00 25.00 C ATOM 372 O GLN B 4 -0.610 -1.680 -15.744 1.00 25.00 O ATOM 373 CB GLN B 4 -0.114 -1.413 -18.869 1.00 25.00 C ATOM 374 CG GLN B 4 -0.805 -0.080 -18.595 1.00 25.00 C ATOM 375 CD GLN B 4 -0.617 0.902 -19.726 1.00 25.00 C ATOM 376 OE1 GLN B 4 0.496 1.225 -20.117 1.00 25.00 O ATOM 377 NE2 GLN B 4 -1.708 1.377 -20.265 1.00 25.00 N ATOM 0 H GLN B 4 -2.458 -2.270 -17.107 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.196 -3.505 -18.398 1.00 25.00 H new ATOM 0 HB2 GLN B 4 0.960 -1.284 -18.735 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.275 -1.683 -19.913 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.870 -0.250 -18.437 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -0.411 0.349 -17.674 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -2.620 1.085 -19.913 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -1.648 2.040 -21.038 1.00 25.00 H new ATOM 386 N HIS B 5 1.029 -3.118 -16.275 1.00 25.00 N ATOM 387 CA HIS B 5 1.815 -2.849 -15.062 1.00 25.00 C ATOM 388 C HIS B 5 2.572 -1.544 -15.322 1.00 25.00 C ATOM 389 O HIS B 5 3.023 -1.317 -16.444 1.00 25.00 O ATOM 390 CB HIS B 5 2.810 -3.982 -14.786 1.00 25.00 C ATOM 391 CG HIS B 5 2.160 -5.317 -14.592 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.165 -5.544 -13.666 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.348 -6.516 -15.187 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.788 -6.817 -13.736 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.492 -7.415 -14.642 1.00 25.00 N ATOM 0 H HIS B 5 1.396 -3.869 -16.859 1.00 25.00 H new ATOM 0 HA HIS B 5 1.164 -2.775 -14.191 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.513 -4.047 -15.616 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.389 -3.737 -13.896 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.063 -6.724 -15.969 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.019 -7.277 -13.134 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.416 -8.398 -14.903 1.00 25.00 H new ATOM 404 N LEU B 6 2.693 -0.684 -14.319 1.00 25.00 N ATOM 405 CA LEU B 6 3.347 0.620 -14.483 1.00 25.00 C ATOM 406 C LEU B 6 4.232 0.919 -13.275 1.00 25.00 C ATOM 407 O LEU B 6 3.740 0.993 -12.162 1.00 25.00 O ATOM 408 CB LEU B 6 2.296 1.730 -14.598 1.00 25.00 C ATOM 409 CG LEU B 6 1.342 1.726 -15.800 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.317 2.834 -15.637 1.00 25.00 C ATOM 411 CD2 LEU B 6 2.080 1.946 -17.107 1.00 25.00 C ATOM 0 H LEU B 6 2.347 -0.862 -13.376 1.00 25.00 H new ATOM 0 HA LEU B 6 3.951 0.585 -15.390 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.687 1.703 -13.694 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.823 2.684 -14.599 1.00 25.00 H new ATOM 0 HG LEU B 6 0.860 0.749 -15.832 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.361 2.831 -16.491 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.252 2.672 -14.722 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.827 3.796 -15.581 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.369 1.936 -17.933 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.590 2.909 -17.079 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.812 1.151 -17.250 1.00 25.00 H new ATOM 423 N CYS B 7 5.531 1.088 -13.494 1.00 25.00 N ATOM 424 CA CYS B 7 6.462 1.300 -12.376 1.00 25.00 C ATOM 425 C CYS B 7 7.415 2.486 -12.579 1.00 25.00 C ATOM 426 O CYS B 7 7.446 3.412 -11.778 1.00 25.00 O ATOM 427 CB CYS B 7 7.263 0.012 -12.149 1.00 25.00 C ATOM 428 SG CYS B 7 7.970 -0.119 -10.480 1.00 25.00 S ATOM 0 H CYS B 7 5.965 1.084 -14.417 1.00 25.00 H new ATOM 0 HA CYS B 7 5.862 1.549 -11.500 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.615 -0.846 -12.328 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.069 -0.039 -12.881 1.00 25.00 H new ATOM 433 N GLY B 8 8.175 2.457 -13.669 1.00 25.00 N ATOM 434 CA GLY B 8 9.109 3.535 -13.971 1.00 25.00 C ATOM 435 C GLY B 8 8.430 4.709 -14.655 1.00 25.00 C ATOM 436 O GLY B 8 7.270 4.997 -14.392 1.00 25.00 O ATOM 0 H GLY B 8 8.163 1.702 -14.355 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.578 3.876 -13.048 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.905 3.155 -14.611 1.00 25.00 H new ATOM 440 N SER B 9 9.125 5.341 -15.594 1.00 25.00 N ATOM 441 CA SER B 9 8.596 6.485 -16.353 1.00 25.00 C ATOM 442 C SER B 9 7.226 6.239 -16.991 1.00 25.00 C ATOM 443 O SER B 9 6.442 7.159 -17.179 1.00 25.00 O ATOM 444 CB SER B 9 9.599 6.821 -17.451 1.00 25.00 C ATOM 445 OG SER B 9 10.863 6.268 -17.113 1.00 25.00 O ATOM 0 H SER B 9 10.075 5.079 -15.857 1.00 25.00 H new ATOM 0 HA SER B 9 8.456 7.303 -15.646 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.258 6.422 -18.406 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.681 7.902 -17.567 1.00 25.00 H new ATOM 0 HG SER B 9 11.511 6.480 -17.817 1.00 25.00 H new ATOM 451 N HIS B 10 6.924 4.979 -17.268 1.00 25.00 N ATOM 452 CA HIS B 10 5.617 4.588 -17.799 1.00 25.00 C ATOM 453 C HIS B 10 4.466 5.036 -16.895 1.00 25.00 C ATOM 454 O HIS B 10 3.404 5.398 -17.384 1.00 25.00 O ATOM 455 CB HIS B 10 5.566 3.066 -17.936 1.00 25.00 C ATOM 456 CG HIS B 10 5.973 2.566 -19.280 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.077 2.373 -20.336 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.179 2.181 -19.775 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.744 1.904 -21.382 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.008 1.785 -21.068 1.00 25.00 N ATOM 0 H HIS B 10 7.569 4.201 -17.134 1.00 25.00 H new ATOM 0 HA HIS B 10 5.497 5.076 -18.766 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.215 2.621 -17.182 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.552 2.726 -17.724 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.114 2.188 -19.235 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.312 1.659 -22.341 1.00 25.00 H new ATOM 0 HE2 HIS B 10 7.745 1.451 -21.689 1.00 25.00 H new ATOM 469 N LEU B 11 4.674 4.996 -15.588 1.00 25.00 N ATOM 470 CA LEU B 11 3.641 5.374 -14.625 1.00 25.00 C ATOM 471 C LEU B 11 3.356 6.867 -14.719 1.00 25.00 C ATOM 472 O LEU B 11 2.211 7.293 -14.729 1.00 25.00 O ATOM 473 CB LEU B 11 4.119 5.001 -13.211 1.00 25.00 C ATOM 474 CG LEU B 11 3.188 5.263 -12.015 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.822 4.624 -12.178 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.855 4.706 -10.763 1.00 25.00 C ATOM 0 H LEU B 11 5.554 4.704 -15.164 1.00 25.00 H new ATOM 0 HA LEU B 11 2.717 4.840 -14.846 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.358 3.938 -13.215 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.050 5.537 -13.027 1.00 25.00 H new ATOM 0 HG LEU B 11 3.028 6.339 -11.944 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.211 4.844 -11.303 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.337 5.024 -13.069 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.935 3.545 -12.280 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.212 4.880 -9.900 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.018 3.635 -10.883 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.812 5.204 -10.609 1.00 25.00 H new ATOM 488 N VAL B 12 4.416 7.648 -14.845 1.00 25.00 N ATOM 489 CA VAL B 12 4.302 9.101 -14.953 1.00 25.00 C ATOM 490 C VAL B 12 3.601 9.484 -16.255 1.00 25.00 C ATOM 491 O VAL B 12 2.725 10.339 -16.274 1.00 25.00 O ATOM 492 CB VAL B 12 5.717 9.751 -14.903 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.629 11.269 -14.983 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.443 9.335 -13.610 1.00 25.00 C ATOM 0 H VAL B 12 5.375 7.301 -14.876 1.00 25.00 H new ATOM 0 HA VAL B 12 3.710 9.467 -14.115 1.00 25.00 H new ATOM 0 HB VAL B 12 6.282 9.397 -15.765 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.632 11.694 -14.946 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.147 11.557 -15.918 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.044 11.644 -14.143 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.431 9.794 -13.584 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.866 9.666 -12.746 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.546 8.250 -13.584 1.00 25.00 H new ATOM 504 N GLU B 13 3.961 8.818 -17.343 1.00 25.00 N ATOM 505 CA GLU B 13 3.363 9.106 -18.646 1.00 25.00 C ATOM 506 C GLU B 13 1.873 8.782 -18.656 1.00 25.00 C ATOM 507 O GLU B 13 1.086 9.450 -19.316 1.00 25.00 O ATOM 508 CB GLU B 13 4.074 8.310 -19.743 1.00 25.00 C ATOM 509 CG GLU B 13 5.482 8.828 -20.040 1.00 25.00 C ATOM 510 CD GLU B 13 5.478 10.248 -20.524 1.00 25.00 C ATOM 511 OE1 GLU B 13 4.897 10.616 -21.496 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.157 11.048 -19.780 1.00 25.00 O ATOM 0 H GLU B 13 4.661 8.077 -17.353 1.00 25.00 H new ATOM 0 HA GLU B 13 3.482 10.172 -18.838 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.133 7.263 -19.444 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.479 8.348 -20.655 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.091 8.756 -19.139 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.949 8.192 -20.792 1.00 25.00 H new ATOM 520 N ALA B 14 1.480 7.770 -17.904 1.00 25.00 N ATOM 521 CA ALA B 14 0.081 7.382 -17.834 1.00 25.00 C ATOM 522 C ALA B 14 -0.708 8.396 -17.009 1.00 25.00 C ATOM 523 O ALA B 14 -1.871 8.669 -17.291 1.00 25.00 O ATOM 524 CB ALA B 14 -0.034 6.005 -17.226 1.00 25.00 C ATOM 0 H ALA B 14 2.107 7.202 -17.334 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.335 7.361 -18.841 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.084 5.716 -17.175 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.509 5.289 -17.842 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.389 6.014 -16.222 1.00 25.00 H new ATOM 530 N LEU B 15 -0.072 8.952 -15.988 1.00 25.00 N ATOM 531 CA LEU B 15 -0.734 9.919 -15.122 1.00 25.00 C ATOM 532 C LEU B 15 -1.091 11.200 -15.860 1.00 25.00 C ATOM 533 O LEU B 15 -2.121 11.793 -15.572 1.00 25.00 O ATOM 534 CB LEU B 15 0.138 10.244 -13.904 1.00 25.00 C ATOM 535 CG LEU B 15 0.082 9.224 -12.758 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.138 9.525 -11.697 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.295 9.219 -12.127 1.00 25.00 C ATOM 0 H LEU B 15 0.897 8.752 -15.739 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.663 9.459 -14.786 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.173 10.336 -14.234 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.160 11.218 -13.515 1.00 25.00 H new ATOM 0 HG LEU B 15 0.290 8.239 -13.177 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.073 8.785 -10.899 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.129 9.485 -12.149 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.967 10.519 -11.285 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.321 8.491 -11.316 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.518 10.210 -11.732 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.038 8.952 -12.878 1.00 25.00 H new ATOM 549 N TYR B 16 -0.308 11.583 -16.863 1.00 25.00 N ATOM 550 CA TYR B 16 -0.650 12.758 -17.674 1.00 25.00 C ATOM 551 C TYR B 16 -2.009 12.564 -18.331 1.00 25.00 C ATOM 552 O TYR B 16 -2.802 13.489 -18.419 1.00 25.00 O ATOM 553 CB TYR B 16 0.380 13.004 -18.782 1.00 25.00 C ATOM 554 CG TYR B 16 1.643 13.693 -18.318 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.669 15.089 -18.112 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.826 12.965 -18.101 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.858 15.741 -17.684 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.018 13.613 -17.686 1.00 25.00 C ATOM 559 CZ TYR B 16 4.021 14.991 -17.478 1.00 25.00 C ATOM 560 OH TYR B 16 5.174 15.608 -17.065 1.00 25.00 O ATOM 0 H TYR B 16 0.554 11.110 -17.135 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.663 13.615 -17.001 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.647 12.048 -19.232 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.082 13.607 -19.564 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.774 15.670 -18.282 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.827 11.896 -18.253 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.863 16.808 -17.519 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.920 13.040 -17.532 1.00 25.00 H new ATOM 0 HH TYR B 16 5.886 14.941 -16.970 1.00 25.00 H new ATOM 570 N LEU B 17 -2.277 11.354 -18.798 1.00 25.00 N ATOM 571 CA LEU B 17 -3.537 11.072 -19.474 1.00 25.00 C ATOM 572 C LEU B 17 -4.722 11.044 -18.521 1.00 25.00 C ATOM 573 O LEU B 17 -5.796 11.536 -18.841 1.00 25.00 O ATOM 574 CB LEU B 17 -3.474 9.711 -20.157 1.00 25.00 C ATOM 575 CG LEU B 17 -2.387 9.500 -21.224 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.362 8.022 -21.624 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.626 10.373 -22.456 1.00 25.00 C ATOM 0 H LEU B 17 -1.646 10.556 -18.723 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.679 11.877 -20.195 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.339 8.954 -19.385 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.442 9.523 -20.622 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.426 9.792 -20.800 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.594 7.863 -22.381 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.141 7.412 -20.748 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.334 7.738 -22.028 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.837 10.195 -23.187 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.591 10.124 -22.897 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.620 11.423 -22.164 1.00 25.00 H new ATOM 589 N VAL B 18 -4.549 10.389 -17.385 1.00 25.00 N ATOM 590 CA VAL B 18 -5.666 10.156 -16.467 1.00 25.00 C ATOM 591 C VAL B 18 -5.971 11.394 -15.641 1.00 25.00 C ATOM 592 O VAL B 18 -7.135 11.743 -15.429 1.00 25.00 O ATOM 593 CB VAL B 18 -5.371 8.949 -15.538 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.547 8.679 -14.595 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.099 7.704 -16.393 1.00 25.00 C ATOM 0 H VAL B 18 -3.655 10.009 -17.072 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.545 9.927 -17.070 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.496 9.184 -14.932 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.313 7.828 -13.956 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.727 9.559 -13.977 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.440 8.458 -15.180 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.891 6.854 -15.743 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.973 7.486 -17.007 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.239 7.886 -17.038 1.00 25.00 H new ATOM 605 N CYS B 19 -4.940 12.091 -15.200 1.00 25.00 N ATOM 606 CA CYS B 19 -5.163 13.314 -14.453 1.00 25.00 C ATOM 607 C CYS B 19 -5.512 14.443 -15.419 1.00 25.00 C ATOM 608 O CYS B 19 -6.173 15.416 -15.042 1.00 25.00 O ATOM 609 CB CYS B 19 -3.954 13.675 -13.595 1.00 25.00 C ATOM 610 SG CYS B 19 -4.423 14.046 -11.873 1.00 25.00 S ATOM 0 H CYS B 19 -3.962 11.839 -15.342 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.999 13.159 -13.771 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.242 12.850 -13.607 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.448 14.539 -14.027 1.00 25.00 H new ATOM 615 N GLY B 20 -5.117 14.298 -16.677 1.00 25.00 N ATOM 616 CA GLY B 20 -5.425 15.316 -17.664 1.00 25.00 C ATOM 617 C GLY B 20 -4.755 16.638 -17.339 1.00 25.00 C ATOM 618 O GLY B 20 -3.685 16.692 -16.734 1.00 25.00 O ATOM 0 H GLY B 20 -4.592 13.499 -17.031 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.102 14.977 -18.648 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.504 15.458 -17.714 1.00 25.00 H new ATOM 622 N GLU B 21 -5.419 17.720 -17.718 1.00 25.00 N ATOM 623 CA GLU B 21 -4.901 19.075 -17.509 1.00 25.00 C ATOM 624 C GLU B 21 -4.841 19.507 -16.038 1.00 25.00 C ATOM 625 O GLU B 21 -4.307 20.565 -15.732 1.00 25.00 O ATOM 626 CB GLU B 21 -5.760 20.075 -18.290 1.00 25.00 C ATOM 627 CG GLU B 21 -5.702 19.877 -19.807 1.00 25.00 C ATOM 628 CD GLU B 21 -6.499 20.909 -20.555 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.272 21.659 -20.041 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.283 20.904 -21.821 1.00 25.00 O ATOM 0 H GLU B 21 -6.329 17.690 -18.178 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.872 19.064 -17.869 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.795 19.988 -17.960 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.433 21.087 -18.051 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.663 19.917 -20.136 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.077 18.884 -20.055 1.00 25.00 H new ATOM 638 N ARG B 22 -5.371 18.695 -15.127 1.00 25.00 N ATOM 639 CA ARG B 22 -5.321 19.021 -13.695 1.00 25.00 C ATOM 640 C ARG B 22 -3.891 19.002 -13.170 1.00 25.00 C ATOM 641 O ARG B 22 -3.579 19.658 -12.184 1.00 25.00 O ATOM 642 CB ARG B 22 -6.135 18.010 -12.881 1.00 25.00 C ATOM 643 CG ARG B 22 -7.637 18.075 -13.131 1.00 25.00 C ATOM 644 CD ARG B 22 -8.365 16.993 -12.340 1.00 25.00 C ATOM 645 NE ARG B 22 -8.139 15.657 -12.914 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.544 14.509 -12.381 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.170 14.450 -11.232 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.316 13.397 -13.012 1.00 25.00 N ATOM 0 H ARG B 22 -5.837 17.814 -15.346 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.739 20.022 -13.585 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.782 17.005 -13.113 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.946 18.178 -11.821 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.015 19.057 -12.846 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.839 17.952 -14.195 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.024 17.007 -11.305 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.434 17.208 -12.327 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.628 15.608 -13.796 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.363 15.306 -10.712 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.464 13.548 -10.857 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.830 13.410 -13.909 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.623 12.511 -12.611 1.00 25.00 H new ATOM 662 N GLY B 23 -3.040 18.217 -13.813 1.00 25.00 N ATOM 663 CA GLY B 23 -1.683 18.032 -13.330 1.00 25.00 C ATOM 664 C GLY B 23 -1.689 17.008 -12.211 1.00 25.00 C ATOM 665 O GLY B 23 -2.746 16.616 -11.734 1.00 25.00 O ATOM 0 H GLY B 23 -3.264 17.702 -14.664 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.037 17.698 -14.142 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.279 18.979 -12.971 1.00 25.00 H new ATOM 669 N PHE B 24 -0.517 16.542 -11.813 1.00 25.00 N ATOM 670 CA PHE B 24 -0.397 15.510 -10.787 1.00 25.00 C ATOM 671 C PHE B 24 0.998 15.620 -10.197 1.00 25.00 C ATOM 672 O PHE B 24 1.813 16.401 -10.685 1.00 25.00 O ATOM 673 CB PHE B 24 -0.593 14.117 -11.399 1.00 25.00 C ATOM 674 CG PHE B 24 0.442 13.760 -12.419 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.269 14.124 -13.764 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.602 13.068 -12.042 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.252 13.810 -14.724 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.589 12.739 -12.993 1.00 25.00 C ATOM 679 CZ PHE B 24 2.413 13.115 -14.341 1.00 25.00 C ATOM 0 H PHE B 24 0.376 16.864 -12.187 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.159 15.649 -10.020 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.577 13.374 -10.602 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.579 14.068 -11.861 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.625 14.649 -14.066 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.741 12.783 -11.009 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.114 14.103 -15.754 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.476 12.202 -12.691 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.166 12.870 -15.075 1.00 25.00 H new ATOM 689 N PHE B 25 1.285 14.807 -9.194 1.00 25.00 N ATOM 690 CA PHE B 25 2.610 14.752 -8.598 1.00 25.00 C ATOM 691 C PHE B 25 3.006 13.286 -8.522 1.00 25.00 C ATOM 692 O PHE B 25 2.154 12.403 -8.610 1.00 25.00 O ATOM 693 CB PHE B 25 2.603 15.371 -7.194 1.00 25.00 C ATOM 694 CG PHE B 25 1.897 14.526 -6.166 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.490 14.528 -6.074 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.637 13.709 -5.286 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.174 13.714 -5.125 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.982 12.899 -4.325 1.00 25.00 C ATOM 699 CZ PHE B 25 0.573 12.900 -4.251 1.00 25.00 C ATOM 0 H PHE B 25 0.610 14.169 -8.772 1.00 25.00 H new ATOM 0 HA PHE B 25 3.320 15.319 -9.200 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.632 15.535 -6.873 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.124 16.349 -7.240 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.088 15.157 -6.735 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.715 13.701 -5.345 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.253 13.717 -5.071 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.559 12.283 -3.652 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.068 12.278 -3.526 1.00 25.00 H new ATOM 709 N TYR B 26 4.289 13.024 -8.347 1.00 25.00 N ATOM 710 CA TYR B 26 4.783 11.665 -8.204 1.00 25.00 C ATOM 711 C TYR B 26 6.027 11.752 -7.342 1.00 25.00 C ATOM 712 O TYR B 26 6.673 12.793 -7.309 1.00 25.00 O ATOM 713 CB TYR B 26 5.113 11.060 -9.574 1.00 25.00 C ATOM 714 CG TYR B 26 5.612 9.635 -9.483 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.790 8.617 -8.957 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.916 9.295 -9.902 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.263 7.287 -8.840 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.387 7.956 -9.799 1.00 25.00 C ATOM 719 CZ TYR B 26 6.556 6.968 -9.264 1.00 25.00 C ATOM 720 OH TYR B 26 6.990 5.675 -9.156 1.00 25.00 O ATOM 0 H TYR B 26 5.013 13.741 -8.300 1.00 25.00 H new ATOM 0 HA TYR B 26 4.032 11.020 -7.748 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.223 11.088 -10.202 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.869 11.674 -10.064 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.786 8.855 -8.639 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.564 10.059 -10.305 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.626 6.521 -8.424 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.383 7.704 -10.133 1.00 25.00 H new ATOM 0 HH TYR B 26 7.908 5.609 -9.492 1.00 25.00 H new ATOM 730 N THR B 27 6.368 10.670 -6.657 1.00 25.00 N ATOM 731 CA THR B 27 7.560 10.635 -5.811 1.00 25.00 C ATOM 732 C THR B 27 8.582 9.624 -6.353 1.00 25.00 C ATOM 733 O THR B 27 8.619 8.458 -5.919 1.00 25.00 O ATOM 734 CB THR B 27 7.193 10.258 -4.363 1.00 25.00 C ATOM 735 OG1 THR B 27 6.505 9.002 -4.350 1.00 25.00 O ATOM 736 CG2 THR B 27 6.281 11.305 -3.739 1.00 25.00 C ATOM 0 H THR B 27 5.836 9.800 -6.669 1.00 25.00 H new ATOM 0 HA THR B 27 8.000 11.632 -5.821 1.00 25.00 H new ATOM 0 HB THR B 27 8.118 10.197 -3.790 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.004 8.350 -4.885 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.038 11.013 -2.717 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.788 12.270 -3.730 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.363 11.382 -4.322 1.00 25.00 H new ATOM 744 N PRO B 28 9.424 10.049 -7.311 1.00 25.00 N ATOM 745 CA PRO B 28 10.421 9.118 -7.848 1.00 25.00 C ATOM 746 C PRO B 28 11.544 8.883 -6.846 1.00 25.00 C ATOM 747 O PRO B 28 11.751 9.685 -5.938 1.00 25.00 O ATOM 748 CB PRO B 28 10.926 9.842 -9.096 1.00 25.00 C ATOM 749 CG PRO B 28 10.804 11.277 -8.755 1.00 25.00 C ATOM 750 CD PRO B 28 9.538 11.381 -7.940 1.00 25.00 C ATOM 0 HA PRO B 28 10.019 8.128 -8.063 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.957 9.573 -9.323 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.330 9.588 -9.973 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.668 11.622 -8.187 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.746 11.892 -9.653 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.604 12.173 -7.194 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.674 11.605 -8.566 1.00 25.00 H new ATOM 758 N LYS B 29 12.243 7.766 -6.987 1.00 25.00 N ATOM 759 CA LYS B 29 13.330 7.406 -6.079 1.00 25.00 C ATOM 760 C LYS B 29 14.465 6.839 -6.910 1.00 25.00 C ATOM 761 O LYS B 29 14.322 5.802 -7.542 1.00 25.00 O ATOM 762 CB LYS B 29 12.843 6.377 -5.049 1.00 25.00 C ATOM 763 CG LYS B 29 11.799 6.957 -4.100 1.00 25.00 C ATOM 764 CD LYS B 29 11.181 5.914 -3.191 1.00 25.00 C ATOM 765 CE LYS B 29 10.136 6.566 -2.279 1.00 25.00 C ATOM 766 NZ LYS B 29 9.021 7.209 -3.073 1.00 25.00 N ATOM 0 H LYS B 29 12.077 7.085 -7.728 1.00 25.00 H new ATOM 0 HA LYS B 29 13.674 8.283 -5.531 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.420 5.518 -5.569 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.693 6.014 -4.472 1.00 25.00 H new ATOM 0 HG2 LYS B 29 12.261 7.734 -3.491 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.012 7.435 -4.683 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.716 5.129 -3.788 1.00 25.00 H new ATOM 0 HD3 LYS B 29 11.956 5.440 -2.589 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.719 5.814 -1.609 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.618 7.318 -1.654 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 8.206 7.381 -2.450 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 9.352 8.113 -3.467 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 8.737 6.576 -3.848 1.00 25.00 H new ATOM 780 N THR B 30 15.564 7.579 -6.963 1.00 25.00 N ATOM 781 CA THR B 30 16.738 7.222 -7.768 1.00 25.00 C ATOM 782 C THR B 30 17.758 6.386 -7.008 1.00 25.00 C ATOM 783 O THR B 30 18.508 5.603 -7.539 1.00 25.00 O ATOM 784 CB THR B 30 17.391 8.504 -8.306 1.00 25.00 C ATOM 785 OG1 THR B 30 17.377 9.473 -7.263 1.00 25.00 O ATOM 786 CG2 THR B 30 16.576 9.097 -9.468 1.00 25.00 C ATOM 787 OXT THR B 30 17.795 6.588 -5.727 1.00 25.00 O ATOM 0 H THR B 30 15.673 8.452 -6.447 1.00 25.00 H new ATOM 0 HA THR B 30 16.390 6.598 -8.591 1.00 25.00 H new ATOM 0 HB THR B 30 18.398 8.262 -8.648 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.791 10.302 -7.581 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.062 10.004 -9.828 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.516 8.371 -10.279 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.571 9.338 -9.122 1.00 25.00 H new TER 796 THR B 30