USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 63 GLN : amide:sc= -5.31! C(o=-6.6!,f=-4.5!) USER MOD Set 1.2: A 67 GLN : amide:sc= -1.32 K(o=-6.6,f=-5.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.293 (180deg=-1.88!) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= -1.81! (180deg=-2.18!) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= -0.159 (180deg=-1.09) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.364 USER MOD Single : A 16 THR OG1 : rot 94:sc= 0.725 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -31:sc= 0.0128 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 37 SER OG : rot 77:sc= 1.22 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -60:sc= 0.0527 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 119:sc= 0.727 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.2!) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-2.92!) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.0862 (180deg=-0.625) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.008 10.757 -5.109 1.00 0.00 N ATOM 2 CA MET A 1 2.550 11.024 -4.944 1.00 0.00 C ATOM 3 C MET A 1 1.849 9.747 -4.483 1.00 0.00 C ATOM 4 O MET A 1 2.433 8.663 -4.501 1.00 0.00 O ATOM 5 CB MET A 1 1.961 11.510 -6.281 1.00 0.00 C ATOM 6 CG MET A 1 3.029 12.270 -7.072 1.00 0.00 C ATOM 7 SD MET A 1 4.167 11.091 -7.843 1.00 0.00 S ATOM 8 CE MET A 1 5.026 12.273 -8.910 1.00 0.00 C ATOM 0 H1 MET A 1 4.539 11.642 -4.985 1.00 0.00 H new ATOM 0 H2 MET A 1 4.317 10.065 -4.397 1.00 0.00 H new ATOM 0 H3 MET A 1 4.186 10.377 -6.061 1.00 0.00 H new ATOM 0 HA MET A 1 2.399 11.799 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.602 10.660 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.103 12.156 -6.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.559 12.889 -7.836 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.577 12.941 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.788 11.753 -9.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.310 12.739 -9.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.498 13.041 -8.297 1.00 0.00 H new ATOM 20 N LYS A 2 0.590 9.885 -4.073 1.00 0.00 N ATOM 21 CA LYS A 2 -0.191 8.741 -3.611 1.00 0.00 C ATOM 22 C LYS A 2 -1.684 8.993 -3.825 1.00 0.00 C ATOM 23 O LYS A 2 -2.159 10.117 -3.669 1.00 0.00 O ATOM 24 CB LYS A 2 0.100 8.496 -2.126 1.00 0.00 C ATOM 25 CG LYS A 2 -0.284 9.737 -1.316 1.00 0.00 C ATOM 26 CD LYS A 2 0.033 9.499 0.163 1.00 0.00 C ATOM 27 CE LYS A 2 -0.333 10.746 0.968 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.036 10.513 2.409 1.00 0.00 N ATOM 0 H LYS A 2 0.091 10.774 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 2 0.091 7.858 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.461 7.631 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.157 8.270 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.263 10.606 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.345 9.952 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.525 8.638 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.091 9.270 0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.231 11.605 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.390 10.979 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.094 11.427 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.828 10.001 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.833 9.948 2.497 1.00 0.00 H new ATOM 42 N ASP A 3 -2.416 7.944 -4.193 1.00 0.00 N ATOM 43 CA ASP A 3 -3.853 8.070 -4.435 1.00 0.00 C ATOM 44 C ASP A 3 -4.658 8.291 -3.139 1.00 0.00 C ATOM 45 O ASP A 3 -5.487 9.199 -3.092 1.00 0.00 O ATOM 46 CB ASP A 3 -4.372 6.852 -5.218 1.00 0.00 C ATOM 47 CG ASP A 3 -3.879 6.914 -6.664 1.00 0.00 C ATOM 48 OD1 ASP A 3 -3.544 8.000 -7.106 1.00 0.00 O ATOM 49 OD2 ASP A 3 -3.827 5.873 -7.299 1.00 0.00 O ATOM 0 H ASP A 3 -2.043 7.005 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.003 8.964 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.027 5.932 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.462 6.832 -5.197 1.00 0.00 H new ATOM 54 N PRO A 4 -4.454 7.512 -2.089 1.00 0.00 N ATOM 55 CA PRO A 4 -5.216 7.700 -0.811 1.00 0.00 C ATOM 56 C PRO A 4 -4.750 8.941 -0.044 1.00 0.00 C ATOM 57 O PRO A 4 -4.121 8.829 1.007 1.00 0.00 O ATOM 58 CB PRO A 4 -4.908 6.417 -0.025 1.00 0.00 C ATOM 59 CG PRO A 4 -3.554 6.012 -0.497 1.00 0.00 C ATOM 60 CD PRO A 4 -3.508 6.377 -1.982 1.00 0.00 C ATOM 0 HA PRO A 4 -6.281 7.858 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.917 6.597 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.647 5.641 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.774 6.532 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.391 4.944 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.503 6.661 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.812 5.540 -2.611 1.00 0.00 H new ATOM 68 N LYS A 5 -5.064 10.120 -0.572 1.00 0.00 N ATOM 69 CA LYS A 5 -4.678 11.371 0.075 1.00 0.00 C ATOM 70 C LYS A 5 -5.591 11.725 1.256 1.00 0.00 C ATOM 71 O LYS A 5 -5.136 11.963 2.373 1.00 0.00 O ATOM 72 CB LYS A 5 -4.750 12.508 -0.961 1.00 0.00 C ATOM 73 CG LYS A 5 -3.538 12.440 -1.913 1.00 0.00 C ATOM 74 CD LYS A 5 -2.335 13.200 -1.317 1.00 0.00 C ATOM 75 CE LYS A 5 -2.425 14.692 -1.663 1.00 0.00 C ATOM 76 NZ LYS A 5 -2.349 14.863 -3.142 1.00 0.00 N ATOM 0 H LYS A 5 -5.583 10.236 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.666 11.245 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.675 12.431 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.769 13.472 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.266 11.399 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.803 12.869 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.314 13.071 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.405 12.785 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.359 15.108 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.614 15.238 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.881 15.765 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.804 14.079 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.309 14.864 -3.541 1.00 0.00 H new ATOM 90 N THR A 6 -6.891 11.698 0.968 1.00 0.00 N ATOM 91 CA THR A 6 -7.942 11.952 1.958 1.00 0.00 C ATOM 92 C THR A 6 -8.210 10.698 2.798 1.00 0.00 C ATOM 93 O THR A 6 -8.571 10.757 3.972 1.00 0.00 O ATOM 94 CB THR A 6 -9.230 12.378 1.250 1.00 0.00 C ATOM 95 OG1 THR A 6 -9.658 11.339 0.381 1.00 0.00 O ATOM 96 CG2 THR A 6 -8.973 13.651 0.442 1.00 0.00 C ATOM 0 H THR A 6 -7.250 11.498 0.034 1.00 0.00 H new ATOM 0 HA THR A 6 -7.606 12.751 2.619 1.00 0.00 H new ATOM 0 HB THR A 6 -10.005 12.572 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.484 11.610 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.891 13.954 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.647 14.447 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.198 13.461 -0.300 1.00 0.00 H new ATOM 104 N LEU A 7 -7.977 9.575 2.145 1.00 0.00 N ATOM 105 CA LEU A 7 -8.134 8.268 2.786 1.00 0.00 C ATOM 106 C LEU A 7 -7.136 8.138 3.949 1.00 0.00 C ATOM 107 O LEU A 7 -7.495 7.738 5.056 1.00 0.00 O ATOM 108 CB LEU A 7 -7.907 7.148 1.765 1.00 0.00 C ATOM 109 CG LEU A 7 -9.153 6.965 0.880 1.00 0.00 C ATOM 110 CD1 LEU A 7 -10.315 6.348 1.686 1.00 0.00 C ATOM 111 CD2 LEU A 7 -9.578 8.325 0.310 1.00 0.00 C ATOM 0 H LEU A 7 -7.678 9.534 1.171 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.148 8.181 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.043 7.384 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.681 6.216 2.283 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.905 6.285 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.184 6.229 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.013 5.374 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.570 7.005 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.460 8.197 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.810 9.006 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.766 8.739 -0.287 1.00 0.00 H new ATOM 123 N LEU A 8 -5.897 8.525 3.677 1.00 0.00 N ATOM 124 CA LEU A 8 -4.785 8.537 4.638 1.00 0.00 C ATOM 125 C LEU A 8 -4.869 9.725 5.607 1.00 0.00 C ATOM 126 O LEU A 8 -4.324 9.705 6.710 1.00 0.00 O ATOM 127 CB LEU A 8 -3.450 8.596 3.873 1.00 0.00 C ATOM 128 CG LEU A 8 -2.251 8.241 4.802 1.00 0.00 C ATOM 129 CD1 LEU A 8 -1.199 7.439 4.021 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.596 9.525 5.350 1.00 0.00 C ATOM 0 H LEU A 8 -5.621 8.852 2.751 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.848 7.623 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.479 7.903 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.309 9.594 3.459 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.628 7.644 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.365 7.196 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.647 6.518 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.838 8.033 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.760 9.259 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.234 10.131 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.331 10.093 5.921 1.00 0.00 H new ATOM 142 N ARG A 9 -5.587 10.740 5.148 1.00 0.00 N ATOM 143 CA ARG A 9 -5.804 11.966 5.923 1.00 0.00 C ATOM 144 C ARG A 9 -6.633 11.701 7.175 1.00 0.00 C ATOM 145 O ARG A 9 -6.451 12.353 8.199 1.00 0.00 O ATOM 146 CB ARG A 9 -6.511 13.022 5.081 1.00 0.00 C ATOM 147 CG ARG A 9 -6.634 14.325 5.881 1.00 0.00 C ATOM 148 CD ARG A 9 -6.943 15.482 4.926 1.00 0.00 C ATOM 149 NE ARG A 9 -5.756 15.781 4.133 1.00 0.00 N ATOM 150 CZ ARG A 9 -5.753 16.733 3.204 1.00 0.00 C ATOM 151 NH1 ARG A 9 -6.848 17.394 2.945 1.00 0.00 N ATOM 152 NH2 ARG A 9 -4.656 17.005 2.553 1.00 0.00 N ATOM 0 H ARG A 9 -6.036 10.743 4.232 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.820 12.329 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.954 13.200 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.500 12.667 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.424 14.234 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.708 14.522 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.774 15.217 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.249 16.363 5.490 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.904 15.245 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.705 17.180 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.847 18.124 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.801 16.488 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.653 17.735 1.841 1.00 0.00 H new ATOM 166 N VAL A 10 -7.533 10.729 7.088 1.00 0.00 N ATOM 167 CA VAL A 10 -8.390 10.357 8.209 1.00 0.00 C ATOM 168 C VAL A 10 -7.588 9.803 9.386 1.00 0.00 C ATOM 169 O VAL A 10 -7.914 10.109 10.532 1.00 0.00 O ATOM 170 CB VAL A 10 -9.431 9.329 7.748 1.00 0.00 C ATOM 171 CG1 VAL A 10 -10.206 8.787 8.954 1.00 0.00 C ATOM 172 CG2 VAL A 10 -10.407 10.000 6.779 1.00 0.00 C ATOM 0 H VAL A 10 -7.690 10.179 6.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.893 11.260 8.556 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.922 8.503 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.942 8.058 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.513 8.308 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.714 9.608 9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.149 9.273 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.908 10.827 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.860 10.378 5.915 1.00 0.00 H new ATOM 182 N SER A 11 -6.548 9.014 9.147 1.00 0.00 N ATOM 183 CA SER A 11 -5.777 8.501 10.274 1.00 0.00 C ATOM 184 C SER A 11 -5.156 9.649 11.069 1.00 0.00 C ATOM 185 O SER A 11 -5.302 9.693 12.260 1.00 0.00 O ATOM 186 CB SER A 11 -4.677 7.564 9.772 1.00 0.00 C ATOM 187 OG SER A 11 -5.272 6.418 9.179 1.00 0.00 O ATOM 0 H SER A 11 -6.227 8.724 8.223 1.00 0.00 H new ATOM 0 HA SER A 11 -6.450 7.948 10.929 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.048 8.079 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.031 7.267 10.598 1.00 0.00 H new ATOM 0 HG SER A 11 -4.570 5.816 8.855 1.00 0.00 H new ATOM 193 N ILE A 12 -4.457 10.555 10.425 1.00 0.00 N ATOM 194 CA ILE A 12 -3.809 11.648 11.173 1.00 0.00 C ATOM 195 C ILE A 12 -4.845 12.423 12.015 1.00 0.00 C ATOM 196 O ILE A 12 -4.663 12.695 13.200 1.00 0.00 O ATOM 197 CB ILE A 12 -3.148 12.608 10.177 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.971 11.900 9.501 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.634 13.850 10.915 1.00 0.00 C ATOM 200 CD1 ILE A 12 -1.480 12.735 8.317 1.00 0.00 C ATOM 0 H ILE A 12 -4.315 10.574 9.415 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.063 11.223 11.844 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.879 12.911 9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.162 11.754 10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.276 10.911 9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.165 14.529 10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.468 14.355 11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.903 13.550 11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.642 12.229 7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.290 12.858 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.158 13.714 8.671 1.00 0.00 H new ATOM 212 N ILE A 13 -5.923 12.722 11.341 1.00 0.00 N ATOM 213 CA ILE A 13 -7.052 13.435 11.955 1.00 0.00 C ATOM 214 C ILE A 13 -7.620 12.638 13.164 1.00 0.00 C ATOM 215 O ILE A 13 -7.876 13.211 14.220 1.00 0.00 O ATOM 216 CB ILE A 13 -8.157 13.701 10.921 1.00 0.00 C ATOM 217 CG1 ILE A 13 -7.670 14.722 9.871 1.00 0.00 C ATOM 218 CG2 ILE A 13 -9.418 14.225 11.616 1.00 0.00 C ATOM 219 CD1 ILE A 13 -7.291 16.067 10.518 1.00 0.00 C ATOM 0 H ILE A 13 -6.060 12.488 10.358 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.684 14.394 12.320 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.396 12.764 10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.807 14.317 9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.452 14.883 9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.193 14.410 10.872 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.772 13.485 12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.187 15.154 12.137 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.953 16.759 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.161 16.485 11.025 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.490 15.910 11.241 1.00 0.00 H new ATOM 231 N GLY A 14 -7.737 11.323 13.014 1.00 0.00 N ATOM 232 CA GLY A 14 -8.186 10.457 14.138 1.00 0.00 C ATOM 233 C GLY A 14 -6.993 10.115 15.071 1.00 0.00 C ATOM 234 O GLY A 14 -7.054 10.212 16.296 1.00 0.00 O ATOM 0 H GLY A 14 -7.535 10.824 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.966 10.964 14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.623 9.539 13.745 1.00 0.00 H new ATOM 238 N THR A 15 -5.955 9.669 14.398 1.00 0.00 N ATOM 239 CA THR A 15 -4.690 9.214 15.013 1.00 0.00 C ATOM 240 C THR A 15 -4.033 10.300 15.867 1.00 0.00 C ATOM 241 O THR A 15 -3.328 9.986 16.827 1.00 0.00 O ATOM 242 CB THR A 15 -3.676 8.729 13.969 1.00 0.00 C ATOM 243 OG1 THR A 15 -4.282 7.751 13.136 1.00 0.00 O ATOM 244 CG2 THR A 15 -2.472 8.105 14.680 1.00 0.00 C ATOM 0 H THR A 15 -5.950 9.604 13.380 1.00 0.00 H new ATOM 0 HA THR A 15 -4.970 8.378 15.654 1.00 0.00 H new ATOM 0 HB THR A 15 -3.349 9.575 13.364 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.187 8.041 12.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.751 7.760 13.939 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.003 8.850 15.323 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.804 7.261 15.284 1.00 0.00 H new ATOM 252 N THR A 16 -4.271 11.569 15.548 1.00 0.00 N ATOM 253 CA THR A 16 -3.704 12.674 16.322 1.00 0.00 C ATOM 254 C THR A 16 -4.443 12.884 17.642 1.00 0.00 C ATOM 255 O THR A 16 -3.855 13.328 18.629 1.00 0.00 O ATOM 256 CB THR A 16 -3.729 13.968 15.505 1.00 0.00 C ATOM 257 OG1 THR A 16 -2.938 13.803 14.336 1.00 0.00 O ATOM 258 CG2 THR A 16 -3.168 15.116 16.345 1.00 0.00 C ATOM 0 H THR A 16 -4.851 11.859 14.761 1.00 0.00 H new ATOM 0 HA THR A 16 -2.672 12.409 16.553 1.00 0.00 H new ATOM 0 HB THR A 16 -4.756 14.198 15.220 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.510 13.524 13.591 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.187 16.037 15.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.776 15.242 17.241 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.141 14.889 16.632 1.00 0.00 H new ATOM 266 N LEU A 17 -5.742 12.613 17.635 1.00 0.00 N ATOM 267 CA LEU A 17 -6.615 12.810 18.790 1.00 0.00 C ATOM 268 C LEU A 17 -6.418 11.803 19.927 1.00 0.00 C ATOM 269 O LEU A 17 -6.755 12.127 21.067 1.00 0.00 O ATOM 270 CB LEU A 17 -8.089 12.804 18.329 1.00 0.00 C ATOM 271 CG LEU A 17 -8.527 14.208 17.850 1.00 0.00 C ATOM 272 CD1 LEU A 17 -8.713 15.163 19.046 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.479 14.787 16.884 1.00 0.00 C ATOM 0 H LEU A 17 -6.227 12.245 16.817 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.338 13.777 19.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.218 12.084 17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.729 12.480 19.150 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.481 14.108 17.333 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.021 16.144 18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.478 14.766 19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.772 15.255 19.588 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.797 15.776 16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.519 14.866 17.394 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.378 14.130 16.020 1.00 0.00 H new ATOM 285 N VAL A 18 -5.920 10.596 19.679 1.00 0.00 N ATOM 286 CA VAL A 18 -5.786 9.666 20.796 1.00 0.00 C ATOM 287 C VAL A 18 -4.969 10.325 21.907 1.00 0.00 C ATOM 288 O VAL A 18 -5.367 10.356 23.071 1.00 0.00 O ATOM 289 CB VAL A 18 -5.113 8.367 20.329 1.00 0.00 C ATOM 290 CG1 VAL A 18 -3.706 8.657 19.790 1.00 0.00 C ATOM 291 CG2 VAL A 18 -5.021 7.394 21.508 1.00 0.00 C ATOM 0 H VAL A 18 -5.617 10.251 18.768 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.775 9.416 21.180 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.709 7.925 19.530 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.243 7.726 19.463 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.774 9.344 18.947 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.101 9.107 20.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.544 6.470 21.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.431 7.844 22.306 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.023 7.174 21.877 1.00 0.00 H new ATOM 301 N ALA A 19 -3.805 10.827 21.508 1.00 0.00 N ATOM 302 CA ALA A 19 -2.866 11.478 22.414 1.00 0.00 C ATOM 303 C ALA A 19 -3.496 12.667 23.133 1.00 0.00 C ATOM 304 O ALA A 19 -3.147 12.963 24.276 1.00 0.00 O ATOM 305 CB ALA A 19 -1.642 11.954 21.631 1.00 0.00 C ATOM 0 H ALA A 19 -3.485 10.793 20.540 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.575 10.746 23.167 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.942 12.440 22.310 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.156 11.099 21.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.954 12.662 20.864 1.00 0.00 H new ATOM 311 N LEU A 20 -4.432 13.340 22.473 1.00 0.00 N ATOM 312 CA LEU A 20 -5.095 14.482 23.096 1.00 0.00 C ATOM 313 C LEU A 20 -5.957 14.020 24.271 1.00 0.00 C ATOM 314 O LEU A 20 -5.903 14.612 25.349 1.00 0.00 O ATOM 315 CB LEU A 20 -5.938 15.244 22.066 1.00 0.00 C ATOM 316 CG LEU A 20 -6.638 16.446 22.721 1.00 0.00 C ATOM 317 CD1 LEU A 20 -5.595 17.418 23.301 1.00 0.00 C ATOM 318 CD2 LEU A 20 -7.482 17.167 21.662 1.00 0.00 C ATOM 0 H LEU A 20 -4.745 13.122 21.527 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.333 15.161 23.477 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.302 15.587 21.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.682 14.576 21.631 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.277 16.096 23.532 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.104 18.265 23.762 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.995 16.903 24.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.947 17.776 22.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.983 18.022 22.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.836 17.512 20.855 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.228 16.480 21.261 1.00 0.00 H new ATOM 330 N SER A 21 -6.746 12.967 24.073 1.00 0.00 N ATOM 331 CA SER A 21 -7.599 12.458 25.145 1.00 0.00 C ATOM 332 C SER A 21 -6.793 11.648 26.157 1.00 0.00 C ATOM 333 O SER A 21 -7.220 11.448 27.282 1.00 0.00 O ATOM 334 CB SER A 21 -8.699 11.576 24.552 1.00 0.00 C ATOM 335 OG SER A 21 -9.546 12.372 23.734 1.00 0.00 O ATOM 0 H SER A 21 -6.813 12.455 23.193 1.00 0.00 H new ATOM 0 HA SER A 21 -8.040 13.311 25.660 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.259 10.770 23.965 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.277 11.110 25.350 1.00 0.00 H new ATOM 0 HG SER A 21 -10.252 11.811 23.350 1.00 0.00 H new ATOM 341 N SER A 22 -5.652 11.152 25.702 1.00 0.00 N ATOM 342 CA SER A 22 -4.775 10.316 26.535 1.00 0.00 C ATOM 343 C SER A 22 -3.834 11.138 27.429 1.00 0.00 C ATOM 344 O SER A 22 -3.318 10.622 28.420 1.00 0.00 O ATOM 345 CB SER A 22 -3.950 9.379 25.654 1.00 0.00 C ATOM 346 OG SER A 22 -3.463 8.302 26.444 1.00 0.00 O ATOM 0 H SER A 22 -5.303 11.310 24.757 1.00 0.00 H new ATOM 0 HA SER A 22 -5.427 9.741 27.193 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.561 8.998 24.836 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.118 9.921 25.205 1.00 0.00 H new ATOM 0 HG SER A 22 -3.316 8.611 27.362 1.00 0.00 H new ATOM 352 N PHE A 23 -3.637 12.414 27.109 1.00 0.00 N ATOM 353 CA PHE A 23 -2.771 13.241 27.971 1.00 0.00 C ATOM 354 C PHE A 23 -3.530 13.756 29.223 1.00 0.00 C ATOM 355 O PHE A 23 -2.935 13.798 30.300 1.00 0.00 O ATOM 356 CB PHE A 23 -2.172 14.414 27.168 1.00 0.00 C ATOM 357 CG PHE A 23 -0.806 14.045 26.619 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.575 12.767 26.094 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.223 14.994 26.631 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.686 12.439 25.582 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.484 14.665 26.119 1.00 0.00 C ATOM 362 CZ PHE A 23 1.715 13.388 25.594 1.00 0.00 C ATOM 0 H PHE A 23 -4.040 12.889 26.301 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.955 12.610 28.325 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.840 14.679 26.348 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.088 15.293 27.807 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.369 12.035 26.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.044 15.980 27.035 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.865 11.454 25.178 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.279 15.396 26.129 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.687 13.135 25.198 1.00 0.00 H new ATOM 372 N THR A 24 -4.782 14.203 29.109 1.00 0.00 N ATOM 373 CA THR A 24 -5.491 14.768 30.282 1.00 0.00 C ATOM 374 C THR A 24 -5.841 13.749 31.394 1.00 0.00 C ATOM 375 O THR A 24 -5.786 14.081 32.579 1.00 0.00 O ATOM 376 CB THR A 24 -6.785 15.468 29.784 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.853 15.353 28.370 1.00 0.00 O ATOM 378 CG2 THR A 24 -6.782 16.958 30.163 1.00 0.00 C ATOM 0 H THR A 24 -5.323 14.191 28.245 1.00 0.00 H new ATOM 0 HA THR A 24 -4.800 15.468 30.751 1.00 0.00 H new ATOM 0 HB THR A 24 -7.645 14.990 30.252 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.667 15.791 28.045 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.698 17.427 29.804 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.725 17.058 31.247 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.921 17.448 29.708 1.00 0.00 H new ATOM 386 N PRO A 25 -6.247 12.565 31.041 1.00 0.00 N ATOM 387 CA PRO A 25 -6.681 11.507 32.010 1.00 0.00 C ATOM 388 C PRO A 25 -5.751 11.278 33.198 1.00 0.00 C ATOM 389 O PRO A 25 -6.207 10.791 34.234 1.00 0.00 O ATOM 390 CB PRO A 25 -6.767 10.249 31.146 1.00 0.00 C ATOM 391 CG PRO A 25 -7.110 10.763 29.796 1.00 0.00 C ATOM 392 CD PRO A 25 -6.354 12.090 29.662 1.00 0.00 C ATOM 0 HA PRO A 25 -7.614 11.803 32.490 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.822 9.705 31.138 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.527 9.562 31.516 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.810 10.059 29.020 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.185 10.911 29.693 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.373 11.948 29.209 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.895 12.798 29.035 1.00 0.00 H new ATOM 400 N VAL A 26 -4.474 11.622 33.097 1.00 0.00 N ATOM 401 CA VAL A 26 -3.586 11.422 34.233 1.00 0.00 C ATOM 402 C VAL A 26 -4.045 12.276 35.414 1.00 0.00 C ATOM 403 O VAL A 26 -4.090 11.803 36.549 1.00 0.00 O ATOM 404 CB VAL A 26 -2.150 11.793 33.845 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.255 11.788 35.088 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.619 10.775 32.833 1.00 0.00 C ATOM 0 H VAL A 26 -4.040 12.028 32.268 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.615 10.372 34.525 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.144 12.790 33.403 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.236 12.053 34.804 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.631 12.513 35.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.260 10.794 35.536 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.598 11.037 32.555 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.631 9.780 33.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.250 10.783 31.944 1.00 0.00 H new ATOM 416 N LEU A 27 -4.340 13.549 35.150 1.00 0.00 N ATOM 417 CA LEU A 27 -4.740 14.488 36.195 1.00 0.00 C ATOM 418 C LEU A 27 -5.846 13.925 37.085 1.00 0.00 C ATOM 419 O LEU A 27 -5.964 14.295 38.253 1.00 0.00 O ATOM 420 CB LEU A 27 -5.262 15.772 35.535 1.00 0.00 C ATOM 421 CG LEU A 27 -5.384 16.902 36.574 1.00 0.00 C ATOM 422 CD1 LEU A 27 -4.006 17.504 36.893 1.00 0.00 C ATOM 423 CD2 LEU A 27 -6.299 18.002 36.025 1.00 0.00 C ATOM 0 H LEU A 27 -4.309 13.954 34.215 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.866 14.682 36.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.587 16.077 34.735 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.234 15.584 35.078 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.804 16.485 37.490 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.118 18.300 37.629 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.354 16.728 37.294 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.567 17.911 35.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.386 18.803 36.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.876 18.400 35.103 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.286 17.587 35.822 1.00 0.00 H new ATOM 435 N VAL A 28 -6.658 13.035 36.524 1.00 0.00 N ATOM 436 CA VAL A 28 -7.765 12.421 37.250 1.00 0.00 C ATOM 437 C VAL A 28 -7.264 11.449 38.312 1.00 0.00 C ATOM 438 O VAL A 28 -7.873 11.296 39.371 1.00 0.00 O ATOM 439 CB VAL A 28 -8.668 11.676 36.262 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.757 10.914 37.025 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.324 12.683 35.314 1.00 0.00 C ATOM 0 H VAL A 28 -6.568 12.720 35.558 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.324 13.211 37.751 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.067 10.969 35.690 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.396 10.386 36.317 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.293 10.195 37.700 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.358 11.618 37.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.967 12.155 34.610 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.921 13.390 35.890 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.552 13.223 34.765 1.00 0.00 H new ATOM 451 N ILE A 29 -6.147 10.801 38.013 1.00 0.00 N ATOM 452 CA ILE A 29 -5.552 9.846 38.937 1.00 0.00 C ATOM 453 C ILE A 29 -5.186 10.538 40.248 1.00 0.00 C ATOM 454 O ILE A 29 -5.405 9.979 41.322 1.00 0.00 O ATOM 455 CB ILE A 29 -4.301 9.216 38.317 1.00 0.00 C ATOM 456 CG1 ILE A 29 -4.673 8.454 37.031 1.00 0.00 C ATOM 457 CG2 ILE A 29 -3.647 8.257 39.318 1.00 0.00 C ATOM 458 CD1 ILE A 29 -5.734 7.377 37.307 1.00 0.00 C ATOM 0 H ILE A 29 -5.635 10.919 37.139 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.281 9.061 39.140 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.595 10.008 38.068 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.049 9.155 36.286 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.781 7.990 36.610 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.758 7.813 38.869 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.365 8.806 40.216 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.353 7.469 39.581 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.975 6.857 36.380 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.347 6.662 38.033 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.634 7.846 37.704 1.00 0.00 H new ATOM 470 N LEU A 30 -4.618 11.738 40.176 1.00 0.00 N ATOM 471 CA LEU A 30 -4.217 12.468 41.375 1.00 0.00 C ATOM 472 C LEU A 30 -5.391 12.740 42.316 1.00 0.00 C ATOM 473 O LEU A 30 -5.207 12.804 43.529 1.00 0.00 O ATOM 474 CB LEU A 30 -3.586 13.804 40.972 1.00 0.00 C ATOM 475 CG LEU A 30 -2.247 13.565 40.254 1.00 0.00 C ATOM 476 CD1 LEU A 30 -1.746 14.895 39.680 1.00 0.00 C ATOM 477 CD2 LEU A 30 -1.199 12.996 41.234 1.00 0.00 C ATOM 0 H LEU A 30 -4.425 12.226 39.301 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.501 11.843 41.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.264 14.352 40.318 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.427 14.421 41.857 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.396 12.843 39.451 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.797 14.736 39.169 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.478 15.285 38.973 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.606 15.611 40.490 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.259 12.834 40.707 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.041 13.703 42.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.556 12.049 41.639 1.00 0.00 H new ATOM 489 N LEU A 31 -6.599 12.868 41.782 1.00 0.00 N ATOM 490 CA LEU A 31 -7.767 13.080 42.633 1.00 0.00 C ATOM 491 C LEU A 31 -8.173 11.769 43.318 1.00 0.00 C ATOM 492 O LEU A 31 -8.502 11.721 44.503 1.00 0.00 O ATOM 493 CB LEU A 31 -8.932 13.596 41.776 1.00 0.00 C ATOM 494 CG LEU A 31 -10.178 13.839 42.643 1.00 0.00 C ATOM 495 CD1 LEU A 31 -9.879 14.895 43.721 1.00 0.00 C ATOM 496 CD2 LEU A 31 -11.319 14.330 41.745 1.00 0.00 C ATOM 0 H LEU A 31 -6.796 12.830 40.782 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.520 13.814 43.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.642 14.522 41.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.163 12.873 40.994 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.463 12.909 43.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.770 15.058 44.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.065 14.546 44.357 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.590 15.831 43.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.208 14.506 42.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.024 15.258 41.256 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.538 13.576 40.989 1.00 0.00 H new ATOM 508 N GLY A 32 -8.146 10.720 42.502 1.00 0.00 N ATOM 509 CA GLY A 32 -8.512 9.369 42.935 1.00 0.00 C ATOM 510 C GLY A 32 -7.556 8.805 43.993 1.00 0.00 C ATOM 511 O GLY A 32 -7.986 8.327 45.039 1.00 0.00 O ATOM 0 H GLY A 32 -7.870 10.779 41.522 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.525 9.383 43.338 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.522 8.705 42.070 1.00 0.00 H new ATOM 515 N VAL A 33 -6.259 8.907 43.725 1.00 0.00 N ATOM 516 CA VAL A 33 -5.277 8.429 44.709 1.00 0.00 C ATOM 517 C VAL A 33 -5.608 9.120 46.034 1.00 0.00 C ATOM 518 O VAL A 33 -5.674 8.478 47.083 1.00 0.00 O ATOM 519 CB VAL A 33 -3.838 8.724 44.279 1.00 0.00 C ATOM 520 CG1 VAL A 33 -3.534 7.992 42.968 1.00 0.00 C ATOM 521 CG2 VAL A 33 -3.659 10.224 44.085 1.00 0.00 C ATOM 0 H VAL A 33 -5.866 9.300 42.870 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.340 7.345 44.804 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.151 8.378 45.052 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.509 8.203 42.663 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.656 6.919 43.114 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.221 8.333 42.193 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.634 10.431 43.779 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.346 10.576 43.315 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.869 10.740 45.022 1.00 0.00 H new ATOM 531 N VAL A 34 -5.818 10.433 45.973 1.00 0.00 N ATOM 532 CA VAL A 34 -6.146 11.187 47.181 1.00 0.00 C ATOM 533 C VAL A 34 -7.417 10.591 47.792 1.00 0.00 C ATOM 534 O VAL A 34 -7.546 10.426 49.003 1.00 0.00 O ATOM 535 CB VAL A 34 -6.367 12.671 46.851 1.00 0.00 C ATOM 536 CG1 VAL A 34 -6.960 13.391 48.068 1.00 0.00 C ATOM 537 CG2 VAL A 34 -5.026 13.320 46.499 1.00 0.00 C ATOM 0 H VAL A 34 -5.769 10.988 45.119 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.320 11.120 47.889 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.053 12.750 46.008 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.115 14.443 47.829 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.914 12.935 48.331 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.273 13.308 48.910 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.182 14.373 46.265 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.346 13.234 47.347 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.594 12.816 45.635 1.00 0.00 H new ATOM 547 N GLY A 35 -8.344 10.264 46.903 1.00 0.00 N ATOM 548 CA GLY A 35 -9.610 9.665 47.314 1.00 0.00 C ATOM 549 C GLY A 35 -9.339 8.349 48.046 1.00 0.00 C ATOM 550 O GLY A 35 -9.887 8.092 49.117 1.00 0.00 O ATOM 0 H GLY A 35 -8.246 10.402 45.897 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.154 10.350 47.965 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.239 9.486 46.442 1.00 0.00 H new ATOM 554 N LEU A 36 -8.470 7.535 47.456 1.00 0.00 N ATOM 555 CA LEU A 36 -8.086 6.249 48.038 1.00 0.00 C ATOM 556 C LEU A 36 -7.218 6.469 49.284 1.00 0.00 C ATOM 557 O LEU A 36 -7.262 5.693 50.239 1.00 0.00 O ATOM 558 CB LEU A 36 -7.301 5.421 46.991 1.00 0.00 C ATOM 559 CG LEU A 36 -8.242 4.500 46.179 1.00 0.00 C ATOM 560 CD1 LEU A 36 -8.861 3.413 47.083 1.00 0.00 C ATOM 561 CD2 LEU A 36 -9.353 5.332 45.521 1.00 0.00 C ATOM 0 H LEU A 36 -8.014 7.743 46.568 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.986 5.707 48.329 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.774 6.093 46.314 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.545 4.818 47.494 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.655 4.008 45.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.519 2.778 46.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.067 2.807 47.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.435 3.886 47.880 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.011 4.675 44.951 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.930 5.843 46.292 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.908 6.069 44.852 1.00 0.00 H new ATOM 573 N SER A 37 -6.468 7.568 49.265 1.00 0.00 N ATOM 574 CA SER A 37 -5.629 7.925 50.408 1.00 0.00 C ATOM 575 C SER A 37 -6.532 8.129 51.619 1.00 0.00 C ATOM 576 O SER A 37 -6.204 7.741 52.710 1.00 0.00 O ATOM 577 CB SER A 37 -4.811 9.188 50.137 1.00 0.00 C ATOM 578 OG SER A 37 -3.911 8.944 49.064 1.00 0.00 O ATOM 0 H SER A 37 -6.423 8.220 48.482 1.00 0.00 H new ATOM 0 HA SER A 37 -4.919 7.119 50.593 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.473 10.018 49.890 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.259 9.476 51.031 1.00 0.00 H new ATOM 0 HG SER A 37 -4.399 8.973 48.215 1.00 0.00 H new ATOM 584 N ALA A 38 -7.681 8.716 51.393 1.00 0.00 N ATOM 585 CA ALA A 38 -8.641 8.931 52.480 1.00 0.00 C ATOM 586 C ALA A 38 -9.017 7.582 53.117 1.00 0.00 C ATOM 587 O ALA A 38 -9.191 7.493 54.332 1.00 0.00 O ATOM 588 CB ALA A 38 -9.894 9.640 51.962 1.00 0.00 C ATOM 0 H ALA A 38 -7.985 9.055 50.480 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.178 9.566 53.235 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.593 9.790 52.784 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.617 10.606 51.540 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.365 9.030 51.192 1.00 0.00 H new ATOM 594 N LEU A 39 -9.109 6.545 52.305 1.00 0.00 N ATOM 595 CA LEU A 39 -9.432 5.217 52.850 1.00 0.00 C ATOM 596 C LEU A 39 -8.215 4.612 53.601 1.00 0.00 C ATOM 597 O LEU A 39 -8.332 4.165 54.741 1.00 0.00 O ATOM 598 CB LEU A 39 -9.864 4.278 51.708 1.00 0.00 C ATOM 599 CG LEU A 39 -11.358 4.458 51.419 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.638 5.918 51.060 1.00 0.00 C ATOM 601 CD2 LEU A 39 -11.760 3.561 50.245 1.00 0.00 C ATOM 0 H LEU A 39 -8.972 6.580 51.295 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.251 5.326 53.561 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.283 4.492 50.811 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.660 3.243 51.981 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.934 4.185 52.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.701 6.045 50.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.350 6.559 51.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.062 6.192 50.176 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.823 3.687 50.038 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.183 3.836 49.362 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.561 2.520 50.498 1.00 0.00 H new ATOM 613 N THR A 40 -7.070 4.593 52.924 1.00 0.00 N ATOM 614 CA THR A 40 -5.822 4.027 53.494 1.00 0.00 C ATOM 615 C THR A 40 -4.955 5.115 54.153 1.00 0.00 C ATOM 616 O THR A 40 -3.867 4.848 54.662 1.00 0.00 O ATOM 617 CB THR A 40 -5.024 3.342 52.371 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.928 2.703 51.480 1.00 0.00 O ATOM 619 CG2 THR A 40 -4.070 2.293 52.959 1.00 0.00 C ATOM 0 H THR A 40 -6.967 4.960 51.978 1.00 0.00 H new ATOM 0 HA THR A 40 -6.093 3.305 54.264 1.00 0.00 H new ATOM 0 HB THR A 40 -4.441 4.094 51.840 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.425 2.266 50.761 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.512 1.816 52.153 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.375 2.777 53.645 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.645 1.539 53.497 1.00 0.00 H new ATOM 627 N GLY A 41 -5.506 6.310 54.211 1.00 0.00 N ATOM 628 CA GLY A 41 -4.851 7.433 54.896 1.00 0.00 C ATOM 629 C GLY A 41 -3.430 7.726 54.418 1.00 0.00 C ATOM 630 O GLY A 41 -2.475 7.509 55.163 1.00 0.00 O ATOM 0 H GLY A 41 -6.408 6.541 53.794 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.458 8.328 54.761 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.825 7.224 55.965 1.00 0.00 H new ATOM 634 N TYR A 42 -3.274 8.246 53.199 1.00 0.00 N ATOM 635 CA TYR A 42 -1.952 8.590 52.670 1.00 0.00 C ATOM 636 C TYR A 42 -1.834 10.115 52.552 1.00 0.00 C ATOM 637 O TYR A 42 -1.014 10.627 51.791 1.00 0.00 O ATOM 638 CB TYR A 42 -1.773 7.934 51.270 1.00 0.00 C ATOM 639 CG TYR A 42 -0.760 6.802 51.333 1.00 0.00 C ATOM 640 CD1 TYR A 42 -0.853 5.835 52.342 1.00 0.00 C ATOM 641 CD2 TYR A 42 0.270 6.732 50.388 1.00 0.00 C ATOM 642 CE1 TYR A 42 0.086 4.798 52.405 1.00 0.00 C ATOM 643 CE2 TYR A 42 1.210 5.695 50.452 1.00 0.00 C ATOM 644 CZ TYR A 42 1.117 4.728 51.460 1.00 0.00 C ATOM 645 OH TYR A 42 2.042 3.706 51.522 1.00 0.00 O ATOM 0 H TYR A 42 -4.045 8.438 52.560 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.177 8.221 53.342 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.731 7.552 50.916 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.444 8.684 50.551 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.648 5.889 53.071 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.340 7.477 49.610 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.015 4.052 53.183 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.006 5.642 49.724 1.00 0.00 H new ATOM 0 HH TYR A 42 2.688 3.805 50.792 1.00 0.00 H new ATOM 655 N LEU A 43 -2.677 10.827 53.293 1.00 0.00 N ATOM 656 CA LEU A 43 -2.704 12.289 53.268 1.00 0.00 C ATOM 657 C LEU A 43 -1.310 12.908 53.351 1.00 0.00 C ATOM 658 O LEU A 43 -0.902 13.688 52.491 1.00 0.00 O ATOM 659 CB LEU A 43 -3.418 12.725 54.554 1.00 0.00 C ATOM 660 CG LEU A 43 -4.858 12.189 54.585 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.491 12.541 55.935 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.692 12.813 53.448 1.00 0.00 C ATOM 0 H LEU A 43 -3.359 10.410 53.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.179 12.606 52.340 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.870 12.359 55.422 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.428 13.813 54.619 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.839 11.108 54.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.513 12.165 55.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.912 12.086 56.738 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.499 13.624 56.062 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.709 12.422 53.486 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.715 13.896 53.566 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.242 12.563 52.487 1.00 0.00 H new ATOM 674 N ASP A 44 -0.589 12.532 54.401 1.00 0.00 N ATOM 675 CA ASP A 44 0.769 13.029 54.612 1.00 0.00 C ATOM 676 C ASP A 44 1.693 12.473 53.531 1.00 0.00 C ATOM 677 O ASP A 44 2.596 13.165 53.059 1.00 0.00 O ATOM 678 CB ASP A 44 1.274 12.620 55.997 1.00 0.00 C ATOM 679 CG ASP A 44 1.095 11.113 56.151 1.00 0.00 C ATOM 680 OD1 ASP A 44 0.046 10.633 55.756 1.00 0.00 O ATOM 681 OD2 ASP A 44 2.024 10.455 56.590 1.00 0.00 O ATOM 0 H ASP A 44 -0.919 11.887 55.119 1.00 0.00 H new ATOM 0 HA ASP A 44 0.762 14.117 54.553 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.323 12.891 56.113 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.721 13.149 56.773 1.00 0.00 H new ATOM 686 N TYR A 45 1.479 11.217 53.163 1.00 0.00 N ATOM 687 CA TYR A 45 2.319 10.572 52.159 1.00 0.00 C ATOM 688 C TYR A 45 2.298 11.321 50.820 1.00 0.00 C ATOM 689 O TYR A 45 3.351 11.474 50.215 1.00 0.00 O ATOM 690 CB TYR A 45 1.843 9.127 51.932 1.00 0.00 C ATOM 691 CG TYR A 45 2.395 8.198 52.993 1.00 0.00 C ATOM 692 CD1 TYR A 45 1.729 8.039 54.215 1.00 0.00 C ATOM 693 CD2 TYR A 45 3.560 7.467 52.732 1.00 0.00 C ATOM 694 CE1 TYR A 45 2.228 7.150 55.174 1.00 0.00 C ATOM 695 CE2 TYR A 45 4.059 6.579 53.691 1.00 0.00 C ATOM 696 CZ TYR A 45 3.393 6.420 54.913 1.00 0.00 C ATOM 697 OH TYR A 45 3.885 5.543 55.858 1.00 0.00 O ATOM 0 H TYR A 45 0.737 10.627 53.540 1.00 0.00 H new ATOM 0 HA TYR A 45 3.341 10.583 52.537 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.754 9.093 51.946 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.160 8.787 50.946 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.830 8.603 54.417 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.074 7.589 51.790 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.714 7.027 56.116 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.958 6.016 53.489 1.00 0.00 H new ATOM 0 HH TYR A 45 4.699 5.117 55.517 1.00 0.00 H new ATOM 707 N VAL A 46 1.106 11.751 50.365 1.00 0.00 N ATOM 708 CA VAL A 46 0.926 12.447 49.066 1.00 0.00 C ATOM 709 C VAL A 46 2.229 12.861 48.371 1.00 0.00 C ATOM 710 O VAL A 46 2.394 12.615 47.175 1.00 0.00 O ATOM 711 CB VAL A 46 0.070 13.702 49.272 1.00 0.00 C ATOM 712 CG1 VAL A 46 -1.338 13.297 49.715 1.00 0.00 C ATOM 713 CG2 VAL A 46 0.708 14.596 50.343 1.00 0.00 C ATOM 0 H VAL A 46 0.237 11.628 50.884 1.00 0.00 H new ATOM 0 HA VAL A 46 0.442 11.720 48.414 1.00 0.00 H new ATOM 0 HB VAL A 46 0.010 14.253 48.333 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.945 14.191 49.861 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.794 12.670 48.949 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.279 12.742 50.651 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.096 15.486 50.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.775 14.047 51.282 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.708 14.890 50.023 1.00 0.00 H new ATOM 723 N LEU A 47 3.132 13.499 49.086 1.00 0.00 N ATOM 724 CA LEU A 47 4.385 13.946 48.480 1.00 0.00 C ATOM 725 C LEU A 47 5.101 12.795 47.737 1.00 0.00 C ATOM 726 O LEU A 47 5.538 12.943 46.596 1.00 0.00 O ATOM 727 CB LEU A 47 5.295 14.495 49.598 1.00 0.00 C ATOM 728 CG LEU A 47 6.264 15.571 49.063 1.00 0.00 C ATOM 729 CD1 LEU A 47 7.056 15.026 47.870 1.00 0.00 C ATOM 730 CD2 LEU A 47 5.492 16.841 48.642 1.00 0.00 C ATOM 0 H LEU A 47 3.032 13.721 50.076 1.00 0.00 H new ATOM 0 HA LEU A 47 4.166 14.721 47.745 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.681 14.920 50.392 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.865 13.677 50.039 1.00 0.00 H new ATOM 0 HG LEU A 47 6.957 15.833 49.863 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.735 15.795 47.502 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.630 14.154 48.182 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.367 14.741 47.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.194 17.586 48.268 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.778 16.590 47.858 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.959 17.245 49.503 1.00 0.00 H new ATOM 742 N LEU A 48 5.232 11.661 48.425 1.00 0.00 N ATOM 743 CA LEU A 48 5.923 10.486 47.861 1.00 0.00 C ATOM 744 C LEU A 48 5.252 9.913 46.590 1.00 0.00 C ATOM 745 O LEU A 48 5.910 9.826 45.553 1.00 0.00 O ATOM 746 CB LEU A 48 6.085 9.392 48.933 1.00 0.00 C ATOM 747 CG LEU A 48 7.288 9.706 49.832 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.078 11.053 50.527 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.437 8.603 50.884 1.00 0.00 C ATOM 0 H LEU A 48 4.873 11.524 49.370 1.00 0.00 H new ATOM 0 HA LEU A 48 6.905 10.836 47.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.179 9.326 49.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.222 8.422 48.455 1.00 0.00 H new ATOM 0 HG LEU A 48 8.191 9.755 49.224 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.935 11.271 51.164 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.974 11.837 49.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.175 11.011 51.136 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.291 8.824 51.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.532 8.554 51.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.594 7.645 50.387 1.00 0.00 H new ATOM 761 N PRO A 49 4.000 9.516 46.613 1.00 0.00 N ATOM 762 CA PRO A 49 3.328 8.949 45.397 1.00 0.00 C ATOM 763 C PRO A 49 3.237 9.958 44.247 1.00 0.00 C ATOM 764 O PRO A 49 3.241 9.569 43.079 1.00 0.00 O ATOM 765 CB PRO A 49 1.931 8.545 45.905 1.00 0.00 C ATOM 766 CG PRO A 49 1.713 9.389 47.114 1.00 0.00 C ATOM 767 CD PRO A 49 3.088 9.543 47.758 1.00 0.00 C ATOM 0 HA PRO A 49 3.888 8.114 44.976 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.166 8.728 45.150 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.890 7.484 46.150 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.295 10.359 46.845 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.009 8.918 47.800 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.169 10.476 48.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.297 8.734 48.458 1.00 0.00 H new ATOM 775 N ALA A 50 3.191 11.247 44.572 1.00 0.00 N ATOM 776 CA ALA A 50 3.141 12.295 43.554 1.00 0.00 C ATOM 777 C ALA A 50 4.504 12.485 42.897 1.00 0.00 C ATOM 778 O ALA A 50 4.586 12.841 41.722 1.00 0.00 O ATOM 779 CB ALA A 50 2.680 13.614 44.179 1.00 0.00 C ATOM 0 H ALA A 50 3.187 11.592 45.532 1.00 0.00 H new ATOM 0 HA ALA A 50 2.429 11.989 42.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.646 14.388 43.412 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.687 13.485 44.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.378 13.909 44.962 1.00 0.00 H new ATOM 785 N LEU A 51 5.570 12.241 43.648 1.00 0.00 N ATOM 786 CA LEU A 51 6.915 12.387 43.106 1.00 0.00 C ATOM 787 C LEU A 51 7.152 11.355 42.007 1.00 0.00 C ATOM 788 O LEU A 51 7.715 11.659 40.959 1.00 0.00 O ATOM 789 CB LEU A 51 7.947 12.205 44.227 1.00 0.00 C ATOM 790 CG LEU A 51 9.375 12.358 43.680 1.00 0.00 C ATOM 791 CD1 LEU A 51 9.570 13.758 43.075 1.00 0.00 C ATOM 792 CD2 LEU A 51 10.369 12.151 44.829 1.00 0.00 C ATOM 0 H LEU A 51 5.532 11.944 44.623 1.00 0.00 H new ATOM 0 HA LEU A 51 7.021 13.385 42.680 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.772 12.941 45.012 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.829 11.221 44.680 1.00 0.00 H new ATOM 0 HG LEU A 51 9.544 11.616 42.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.586 13.851 42.692 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.861 13.904 42.261 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.402 14.513 43.843 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.387 12.257 44.453 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.189 12.896 45.604 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.239 11.153 45.247 1.00 0.00 H new ATOM 804 N ALA A 52 6.687 10.140 42.255 1.00 0.00 N ATOM 805 CA ALA A 52 6.831 9.071 41.274 1.00 0.00 C ATOM 806 C ALA A 52 6.123 9.465 39.980 1.00 0.00 C ATOM 807 O ALA A 52 6.649 9.251 38.887 1.00 0.00 O ATOM 808 CB ALA A 52 6.241 7.768 41.817 1.00 0.00 C ATOM 0 H ALA A 52 6.212 9.870 43.116 1.00 0.00 H new ATOM 0 HA ALA A 52 7.891 8.915 41.073 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.356 6.979 41.074 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.764 7.485 42.731 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.182 7.911 42.034 1.00 0.00 H new ATOM 814 N ILE A 53 4.939 10.052 40.106 1.00 0.00 N ATOM 815 CA ILE A 53 4.188 10.480 38.929 1.00 0.00 C ATOM 816 C ILE A 53 4.939 11.573 38.161 1.00 0.00 C ATOM 817 O ILE A 53 5.120 11.451 36.950 1.00 0.00 O ATOM 818 CB ILE A 53 2.806 10.990 39.350 1.00 0.00 C ATOM 819 CG1 ILE A 53 1.983 9.817 39.893 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.085 11.596 38.141 1.00 0.00 C ATOM 821 CD1 ILE A 53 0.703 10.339 40.550 1.00 0.00 C ATOM 0 H ILE A 53 4.482 10.241 40.998 1.00 0.00 H new ATOM 0 HA ILE A 53 4.071 9.621 38.268 1.00 0.00 H new ATOM 0 HB ILE A 53 2.921 11.753 40.120 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.733 9.131 39.083 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.571 9.254 40.618 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.103 11.957 38.446 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.670 12.427 37.747 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.968 10.836 37.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.123 9.500 40.934 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.962 11.007 41.371 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.111 10.882 39.813 1.00 0.00 H new ATOM 833 N PHE A 54 5.377 12.636 38.835 1.00 0.00 N ATOM 834 CA PHE A 54 6.096 13.711 38.150 1.00 0.00 C ATOM 835 C PHE A 54 7.376 13.197 37.496 1.00 0.00 C ATOM 836 O PHE A 54 7.683 13.560 36.360 1.00 0.00 O ATOM 837 CB PHE A 54 6.431 14.828 39.140 1.00 0.00 C ATOM 838 CG PHE A 54 7.142 15.950 38.419 1.00 0.00 C ATOM 839 CD1 PHE A 54 6.403 16.894 37.697 1.00 0.00 C ATOM 840 CD2 PHE A 54 8.537 16.048 38.477 1.00 0.00 C ATOM 841 CE1 PHE A 54 7.059 17.937 37.032 1.00 0.00 C ATOM 842 CE2 PHE A 54 9.194 17.091 37.813 1.00 0.00 C ATOM 843 CZ PHE A 54 8.454 18.035 37.091 1.00 0.00 C ATOM 0 H PHE A 54 5.250 12.776 39.837 1.00 0.00 H new ATOM 0 HA PHE A 54 5.449 14.101 37.365 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.518 15.202 39.604 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.061 14.441 39.941 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.327 16.818 37.653 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.107 15.319 39.034 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.489 18.665 36.474 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.270 17.167 37.858 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.960 18.840 36.579 1.00 0.00 H new ATOM 853 N ILE A 55 8.105 12.335 38.191 1.00 0.00 N ATOM 854 CA ILE A 55 9.324 11.768 37.626 1.00 0.00 C ATOM 855 C ILE A 55 8.969 10.913 36.413 1.00 0.00 C ATOM 856 O ILE A 55 9.634 10.948 35.377 1.00 0.00 O ATOM 857 CB ILE A 55 10.039 10.904 38.679 1.00 0.00 C ATOM 858 CG1 ILE A 55 10.612 11.798 39.803 1.00 0.00 C ATOM 859 CG2 ILE A 55 11.168 10.096 38.028 1.00 0.00 C ATOM 860 CD1 ILE A 55 11.646 12.805 39.263 1.00 0.00 C ATOM 0 H ILE A 55 7.879 12.016 39.133 1.00 0.00 H new ATOM 0 HA ILE A 55 9.989 12.576 37.321 1.00 0.00 H new ATOM 0 HB ILE A 55 9.315 10.213 39.110 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.799 12.337 40.288 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.078 11.172 40.564 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.665 9.490 38.785 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.753 9.446 37.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.890 10.777 37.578 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.024 13.414 40.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.473 12.265 38.801 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.174 13.449 38.521 1.00 0.00 H new ATOM 872 N GLY A 56 7.885 10.160 36.573 1.00 0.00 N ATOM 873 CA GLY A 56 7.379 9.293 35.517 1.00 0.00 C ATOM 874 C GLY A 56 6.896 10.107 34.315 1.00 0.00 C ATOM 875 O GLY A 56 7.100 9.724 33.166 1.00 0.00 O ATOM 0 H GLY A 56 7.337 10.134 37.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.163 8.604 35.202 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.559 8.687 35.902 1.00 0.00 H new ATOM 879 N LEU A 57 6.228 11.220 34.598 1.00 0.00 N ATOM 880 CA LEU A 57 5.680 12.085 33.554 1.00 0.00 C ATOM 881 C LEU A 57 6.770 12.838 32.785 1.00 0.00 C ATOM 882 O LEU A 57 6.609 13.137 31.601 1.00 0.00 O ATOM 883 CB LEU A 57 4.709 13.091 34.190 1.00 0.00 C ATOM 884 CG LEU A 57 4.072 13.990 33.116 1.00 0.00 C ATOM 885 CD1 LEU A 57 3.285 13.139 32.105 1.00 0.00 C ATOM 886 CD2 LEU A 57 3.124 14.980 33.802 1.00 0.00 C ATOM 0 H LEU A 57 6.051 11.548 35.548 1.00 0.00 H new ATOM 0 HA LEU A 57 5.160 11.449 32.837 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.929 12.557 34.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.240 13.706 34.917 1.00 0.00 H new ATOM 0 HG LEU A 57 4.855 14.528 32.582 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.840 13.788 31.351 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.959 12.432 31.622 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.497 12.593 32.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.665 15.624 33.052 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.347 14.431 34.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.685 15.590 34.510 1.00 0.00 H new ATOM 898 N THR A 58 7.873 13.143 33.461 1.00 0.00 N ATOM 899 CA THR A 58 8.980 13.862 32.831 1.00 0.00 C ATOM 900 C THR A 58 9.725 12.981 31.827 1.00 0.00 C ATOM 901 O THR A 58 10.081 13.427 30.737 1.00 0.00 O ATOM 902 CB THR A 58 9.957 14.359 33.900 1.00 0.00 C ATOM 903 OG1 THR A 58 9.274 15.233 34.789 1.00 0.00 O ATOM 904 CG2 THR A 58 11.112 15.107 33.233 1.00 0.00 C ATOM 0 H THR A 58 8.026 12.906 34.441 1.00 0.00 H new ATOM 0 HA THR A 58 8.559 14.711 32.291 1.00 0.00 H new ATOM 0 HB THR A 58 10.353 13.509 34.455 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.701 14.709 35.387 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.806 15.460 33.996 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.634 14.436 32.550 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.721 15.959 32.677 1.00 0.00 H new ATOM 912 N ILE A 59 9.931 11.725 32.199 1.00 0.00 N ATOM 913 CA ILE A 59 10.608 10.795 31.299 1.00 0.00 C ATOM 914 C ILE A 59 9.749 10.575 30.052 1.00 0.00 C ATOM 915 O ILE A 59 10.273 10.468 28.949 1.00 0.00 O ATOM 916 CB ILE A 59 10.934 9.470 31.997 1.00 0.00 C ATOM 917 CG1 ILE A 59 9.670 8.887 32.623 1.00 0.00 C ATOM 918 CG2 ILE A 59 11.972 9.716 33.092 1.00 0.00 C ATOM 919 CD1 ILE A 59 9.947 7.468 33.127 1.00 0.00 C ATOM 0 H ILE A 59 9.648 11.331 33.096 1.00 0.00 H new ATOM 0 HA ILE A 59 11.561 11.231 30.998 1.00 0.00 H new ATOM 0 HB ILE A 59 11.329 8.767 31.264 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.338 9.517 33.448 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.864 8.871 31.889 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.206 8.775 33.590 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.879 10.126 32.648 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.573 10.422 33.820 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.041 7.057 33.573 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.258 6.840 32.292 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.739 7.496 33.875 1.00 0.00 H new ATOM 931 N TYR A 60 8.433 10.515 30.221 1.00 0.00 N ATOM 932 CA TYR A 60 7.535 10.313 29.082 1.00 0.00 C ATOM 933 C TYR A 60 7.842 11.292 27.939 1.00 0.00 C ATOM 934 O TYR A 60 7.665 10.951 26.778 1.00 0.00 O ATOM 935 CB TYR A 60 6.052 10.426 29.530 1.00 0.00 C ATOM 936 CG TYR A 60 5.415 9.048 29.582 1.00 0.00 C ATOM 937 CD1 TYR A 60 5.058 8.410 28.387 1.00 0.00 C ATOM 938 CD2 TYR A 60 5.200 8.408 30.808 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.486 7.134 28.419 1.00 0.00 C ATOM 940 CE2 TYR A 60 4.627 7.130 30.839 1.00 0.00 C ATOM 941 CZ TYR A 60 4.270 6.494 29.645 1.00 0.00 C ATOM 942 OH TYR A 60 3.706 5.234 29.677 1.00 0.00 O ATOM 0 H TYR A 60 7.965 10.602 31.123 1.00 0.00 H new ATOM 0 HA TYR A 60 7.703 9.306 28.700 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.995 10.898 30.511 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.502 11.063 28.837 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.224 8.903 27.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.476 8.899 31.730 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.211 6.642 27.498 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.461 6.636 31.785 1.00 0.00 H new ATOM 0 HH TYR A 60 3.627 4.934 30.607 1.00 0.00 H new ATOM 952 N ALA A 61 8.305 12.493 28.247 1.00 0.00 N ATOM 953 CA ALA A 61 8.642 13.479 27.218 1.00 0.00 C ATOM 954 C ALA A 61 9.930 13.137 26.451 1.00 0.00 C ATOM 955 O ALA A 61 10.079 13.555 25.303 1.00 0.00 O ATOM 956 CB ALA A 61 8.777 14.865 27.849 1.00 0.00 C ATOM 0 H ALA A 61 8.458 12.815 29.203 1.00 0.00 H new ATOM 0 HA ALA A 61 7.826 13.466 26.495 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.028 15.593 27.078 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.834 15.144 28.319 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.566 14.847 28.601 1.00 0.00 H new ATOM 962 N ILE A 62 10.862 12.396 27.050 1.00 0.00 N ATOM 963 CA ILE A 62 12.101 12.062 26.333 1.00 0.00 C ATOM 964 C ILE A 62 11.862 10.987 25.260 1.00 0.00 C ATOM 965 O ILE A 62 12.454 11.025 24.180 1.00 0.00 O ATOM 966 CB ILE A 62 13.208 11.616 27.322 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.060 10.118 27.713 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.137 12.489 28.582 1.00 0.00 C ATOM 969 CD1 ILE A 62 13.914 9.225 26.795 1.00 0.00 C ATOM 0 H ILE A 62 10.793 12.024 27.997 1.00 0.00 H new ATOM 0 HA ILE A 62 12.439 12.965 25.824 1.00 0.00 H new ATOM 0 HB ILE A 62 14.174 11.736 26.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 13.364 9.977 28.750 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.013 9.822 27.645 1.00 0.00 H new ATOM 0 HG21 ILE A 62 13.913 12.181 29.282 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.288 13.534 28.310 1.00 0.00 H new ATOM 0 HG23 ILE A 62 12.159 12.374 29.050 1.00 0.00 H new ATOM 0 HD11 ILE A 62 13.794 8.182 27.088 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.591 9.351 25.762 1.00 0.00 H new ATOM 0 HD13 ILE A 62 14.963 9.509 26.884 1.00 0.00 H new ATOM 981 N GLN A 63 10.988 10.036 25.577 1.00 0.00 N ATOM 982 CA GLN A 63 10.666 8.954 24.642 1.00 0.00 C ATOM 983 C GLN A 63 10.026 9.521 23.373 1.00 0.00 C ATOM 984 O GLN A 63 10.261 9.007 22.278 1.00 0.00 O ATOM 985 CB GLN A 63 9.745 7.903 25.302 1.00 0.00 C ATOM 986 CG GLN A 63 8.263 8.321 25.191 1.00 0.00 C ATOM 987 CD GLN A 63 7.664 7.875 23.854 1.00 0.00 C ATOM 988 OE1 GLN A 63 6.479 8.108 23.611 1.00 0.00 O ATOM 989 NE2 GLN A 63 8.409 7.271 22.970 1.00 0.00 N ATOM 0 H GLN A 63 10.491 9.989 26.467 1.00 0.00 H new ATOM 0 HA GLN A 63 11.594 8.453 24.367 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.891 6.935 24.823 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.016 7.784 26.351 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.696 7.882 26.012 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.179 9.403 25.288 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.390 7.080 23.175 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.011 6.990 22.074 1.00 0.00 H new ATOM 998 N ARG A 64 9.264 10.598 23.503 1.00 0.00 N ATOM 999 CA ARG A 64 8.678 11.200 22.312 1.00 0.00 C ATOM 1000 C ARG A 64 9.804 11.743 21.438 1.00 0.00 C ATOM 1001 O ARG A 64 9.861 11.451 20.274 1.00 0.00 O ATOM 1002 CB ARG A 64 7.725 12.331 22.695 1.00 0.00 C ATOM 1003 CG ARG A 64 6.528 11.748 23.445 1.00 0.00 C ATOM 1004 CD ARG A 64 5.535 12.862 23.766 1.00 0.00 C ATOM 1005 NE ARG A 64 4.955 13.386 22.536 1.00 0.00 N ATOM 1006 CZ ARG A 64 3.961 12.753 21.921 1.00 0.00 C ATOM 1007 NH1 ARG A 64 3.475 11.654 22.429 1.00 0.00 N ATOM 1008 NH2 ARG A 64 3.473 13.229 20.808 1.00 0.00 N ATOM 0 H ARG A 64 9.042 11.059 24.385 1.00 0.00 H new ATOM 0 HA ARG A 64 8.109 10.447 21.767 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.240 13.061 23.320 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.388 12.857 21.802 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.046 10.980 22.840 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.861 11.267 24.365 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.747 12.481 24.415 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.037 13.662 24.310 1.00 0.00 H new ATOM 0 HE ARG A 64 5.318 14.253 22.140 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.858 11.281 23.298 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.712 11.168 21.957 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.854 14.087 20.410 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.710 12.743 20.336 1.00 0.00 H new ATOM 1022 N LYS A 65 10.665 12.559 22.001 1.00 0.00 N ATOM 1023 CA LYS A 65 11.747 13.183 21.224 1.00 0.00 C ATOM 1024 C LYS A 65 12.611 12.178 20.436 1.00 0.00 C ATOM 1025 O LYS A 65 13.144 12.542 19.389 1.00 0.00 O ATOM 1026 CB LYS A 65 12.632 14.039 22.130 1.00 0.00 C ATOM 1027 CG LYS A 65 11.846 15.263 22.603 1.00 0.00 C ATOM 1028 CD LYS A 65 12.731 16.118 23.513 1.00 0.00 C ATOM 1029 CE LYS A 65 11.948 17.346 23.979 1.00 0.00 C ATOM 1030 NZ LYS A 65 12.807 18.175 24.872 1.00 0.00 N ATOM 0 H LYS A 65 10.650 12.814 22.988 1.00 0.00 H new ATOM 0 HA LYS A 65 11.255 13.811 20.481 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.966 13.455 22.987 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.526 14.354 21.591 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.514 15.849 21.746 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.951 14.948 23.140 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.058 15.534 24.373 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.629 16.428 22.978 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.626 17.933 23.119 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.047 17.036 24.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.274 19.010 25.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.093 17.613 25.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.654 18.481 24.352 1.00 0.00 H new ATOM 1044 N ARG A 66 12.698 10.923 20.850 1.00 0.00 N ATOM 1045 CA ARG A 66 13.440 9.924 20.053 1.00 0.00 C ATOM 1046 C ARG A 66 12.583 9.339 18.899 1.00 0.00 C ATOM 1047 O ARG A 66 12.981 9.339 17.735 1.00 0.00 O ATOM 1048 CB ARG A 66 13.944 8.805 20.970 1.00 0.00 C ATOM 1049 CG ARG A 66 14.716 7.754 20.166 1.00 0.00 C ATOM 1050 CD ARG A 66 15.274 6.712 21.136 1.00 0.00 C ATOM 1051 NE ARG A 66 15.933 5.626 20.417 1.00 0.00 N ATOM 1052 CZ ARG A 66 17.194 5.728 20.007 1.00 0.00 C ATOM 1053 NH1 ARG A 66 17.839 6.852 20.158 1.00 0.00 N ATOM 1054 NH2 ARG A 66 17.785 4.705 19.454 1.00 0.00 N ATOM 0 H ARG A 66 12.280 10.566 21.709 1.00 0.00 H new ATOM 0 HA ARG A 66 14.289 10.429 19.592 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.588 9.224 21.743 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.101 8.336 21.477 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.060 7.279 19.436 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.526 8.224 19.608 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.983 7.186 21.815 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.466 6.310 21.748 1.00 0.00 H new ATOM 0 HE ARG A 66 15.414 4.769 20.225 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.376 7.652 20.590 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.806 6.931 19.844 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.280 3.827 19.336 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.752 4.783 19.140 1.00 0.00 H new ATOM 1068 N GLN A 67 11.386 8.909 19.270 1.00 0.00 N ATOM 1069 CA GLN A 67 10.361 8.371 18.348 1.00 0.00 C ATOM 1070 C GLN A 67 9.507 9.490 17.728 1.00 0.00 C ATOM 1071 O GLN A 67 8.663 9.261 16.866 1.00 0.00 O ATOM 1072 CB GLN A 67 9.482 7.354 19.080 1.00 0.00 C ATOM 1073 CG GLN A 67 10.330 6.119 19.389 1.00 0.00 C ATOM 1074 CD GLN A 67 9.585 5.155 20.305 1.00 0.00 C ATOM 1075 OE1 GLN A 67 8.678 5.550 21.037 1.00 0.00 O ATOM 1076 NE2 GLN A 67 9.954 3.903 20.338 1.00 0.00 N ATOM 0 H GLN A 67 11.080 8.919 20.243 1.00 0.00 H new ATOM 0 HA GLN A 67 10.874 7.870 17.528 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.090 7.785 20.001 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.624 7.081 18.465 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.592 5.613 18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.264 6.424 19.860 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.706 3.577 19.731 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.490 3.251 20.971 1.00 0.00 H new ATOM 1085 N ALA A 68 9.695 10.667 18.278 1.00 0.00 N ATOM 1086 CA ALA A 68 8.899 11.846 17.901 1.00 0.00 C ATOM 1087 C ALA A 68 8.717 11.866 16.377 1.00 0.00 C ATOM 1088 O ALA A 68 7.622 12.128 15.879 1.00 0.00 O ATOM 1089 CB ALA A 68 9.637 13.135 18.331 1.00 0.00 C ATOM 0 H ALA A 68 10.396 10.849 18.996 1.00 0.00 H new ATOM 0 HA ALA A 68 7.929 11.797 18.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.044 14.005 18.050 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.782 13.128 19.411 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.607 13.182 17.835 1.00 0.00 H new ATOM 1095 N ASP A 69 9.772 11.507 15.653 1.00 0.00 N ATOM 1096 CA ASP A 69 9.682 11.403 14.200 1.00 0.00 C ATOM 1097 C ASP A 69 8.627 10.354 13.857 1.00 0.00 C ATOM 1098 O ASP A 69 7.716 10.597 13.066 1.00 0.00 O ATOM 1099 CB ASP A 69 11.033 10.953 13.637 1.00 0.00 C ATOM 1100 CG ASP A 69 10.953 10.845 12.118 1.00 0.00 C ATOM 1101 OD1 ASP A 69 9.856 10.940 11.595 1.00 0.00 O ATOM 1102 OD2 ASP A 69 11.988 10.649 11.502 1.00 0.00 O ATOM 0 H ASP A 69 10.689 11.286 16.042 1.00 0.00 H new ATOM 0 HA ASP A 69 9.413 12.369 13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.809 11.664 13.919 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.312 9.990 14.064 1.00 0.00 H new ATOM 1107 N ALA A 70 8.777 9.182 14.464 1.00 0.00 N ATOM 1108 CA ALA A 70 7.854 8.075 14.233 1.00 0.00 C ATOM 1109 C ALA A 70 6.436 8.454 14.649 1.00 0.00 C ATOM 1110 O ALA A 70 5.468 8.109 13.970 1.00 0.00 O ATOM 1111 CB ALA A 70 8.306 6.842 15.018 1.00 0.00 C ATOM 0 H ALA A 70 9.529 8.973 15.120 1.00 0.00 H new ATOM 0 HA ALA A 70 7.856 7.848 13.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.611 6.022 14.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.304 6.549 14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.325 7.075 16.083 1.00 0.00 H new ATOM 1117 N SER A 71 6.317 9.166 15.764 1.00 0.00 N ATOM 1118 CA SER A 71 5.009 9.584 16.255 1.00 0.00 C ATOM 1119 C SER A 71 4.068 8.387 16.356 1.00 0.00 C ATOM 1120 O SER A 71 2.929 8.441 15.893 1.00 0.00 O ATOM 1121 CB SER A 71 4.409 10.631 15.315 1.00 0.00 C ATOM 1122 OG SER A 71 3.356 11.313 15.983 1.00 0.00 O ATOM 0 H SER A 71 7.103 9.464 16.341 1.00 0.00 H new ATOM 0 HA SER A 71 5.135 10.017 17.247 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.177 11.339 15.004 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.032 10.152 14.411 1.00 0.00 H new ATOM 0 HG SER A 71 2.662 10.671 16.241 1.00 0.00 H new ATOM 1128 N SER A 72 4.553 7.308 16.964 1.00 0.00 N ATOM 1129 CA SER A 72 3.747 6.100 17.121 1.00 0.00 C ATOM 1130 C SER A 72 4.234 5.284 18.315 1.00 0.00 C ATOM 1131 O SER A 72 5.353 5.470 18.791 1.00 0.00 O ATOM 1132 CB SER A 72 3.829 5.250 15.853 1.00 0.00 C ATOM 1133 OG SER A 72 5.156 4.765 15.697 1.00 0.00 O ATOM 0 H SER A 72 5.493 7.245 17.354 1.00 0.00 H new ATOM 0 HA SER A 72 2.712 6.395 17.294 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.130 4.416 15.915 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.542 5.843 14.985 1.00 0.00 H new ATOM 0 HG SER A 72 5.211 4.218 14.886 1.00 0.00 H new ATOM 1139 N THR A 73 3.386 4.379 18.791 1.00 0.00 N ATOM 1140 CA THR A 73 3.741 3.539 19.930 1.00 0.00 C ATOM 1141 C THR A 73 4.813 2.523 19.521 1.00 0.00 C ATOM 1142 O THR A 73 4.854 2.102 18.365 1.00 0.00 O ATOM 1143 CB THR A 73 2.488 2.803 20.419 1.00 0.00 C ATOM 1144 OG1 THR A 73 2.040 1.913 19.406 1.00 0.00 O ATOM 1145 CG2 THR A 73 1.387 3.817 20.731 1.00 0.00 C ATOM 0 H THR A 73 2.455 4.209 18.410 1.00 0.00 H new ATOM 0 HA THR A 73 4.138 4.163 20.731 1.00 0.00 H new ATOM 0 HB THR A 73 2.726 2.240 21.321 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.058 0.994 19.746 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.497 3.292 21.078 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.731 4.501 21.507 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.147 4.382 19.830 1.00 0.00 H new ATOM 1153 N PRO A 74 5.671 2.113 20.430 1.00 0.00 N ATOM 1154 CA PRO A 74 6.743 1.117 20.118 1.00 0.00 C ATOM 1155 C PRO A 74 6.165 -0.271 19.839 1.00 0.00 C ATOM 1156 O PRO A 74 6.804 -1.103 19.196 1.00 0.00 O ATOM 1157 CB PRO A 74 7.623 1.123 21.378 1.00 0.00 C ATOM 1158 CG PRO A 74 6.709 1.556 22.476 1.00 0.00 C ATOM 1159 CD PRO A 74 5.731 2.545 21.842 1.00 0.00 C ATOM 0 HA PRO A 74 7.300 1.371 19.216 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.039 0.135 21.575 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.465 1.807 21.270 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.181 0.704 22.903 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.267 2.024 23.287 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.751 2.501 22.317 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.084 3.572 21.933 1.00 0.00 H new ATOM 1167 N LYS A 75 4.952 -0.511 20.331 1.00 0.00 N ATOM 1168 CA LYS A 75 4.292 -1.799 20.135 1.00 0.00 C ATOM 1169 C LYS A 75 2.776 -1.638 20.184 1.00 0.00 C ATOM 1170 O LYS A 75 2.264 -0.657 20.722 1.00 0.00 O ATOM 1171 CB LYS A 75 4.749 -2.787 21.214 1.00 0.00 C ATOM 1172 CG LYS A 75 4.337 -2.275 22.599 1.00 0.00 C ATOM 1173 CD LYS A 75 4.832 -3.249 23.670 1.00 0.00 C ATOM 1174 CE LYS A 75 4.420 -2.741 25.052 1.00 0.00 C ATOM 1175 NZ LYS A 75 4.898 -3.691 26.095 1.00 0.00 N ATOM 0 H LYS A 75 4.408 0.166 20.866 1.00 0.00 H new ATOM 0 HA LYS A 75 4.567 -2.186 19.154 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.307 -3.767 21.033 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.831 -2.912 21.170 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.756 -1.284 22.772 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.253 -2.177 22.655 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.414 -4.240 23.496 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.916 -3.346 23.615 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.841 -1.751 25.227 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.336 -2.641 25.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.617 -3.345 27.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.477 -4.628 25.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.934 -3.765 26.049 1.00 0.00 H new ATOM 1189 N PHE A 76 2.060 -2.610 19.617 1.00 0.00 N ATOM 1190 CA PHE A 76 0.596 -2.573 19.600 1.00 0.00 C ATOM 1191 C PHE A 76 0.030 -3.959 19.899 1.00 0.00 C ATOM 1192 O PHE A 76 0.013 -4.834 19.034 1.00 0.00 O ATOM 1193 CB PHE A 76 0.119 -2.099 18.224 1.00 0.00 C ATOM 1194 CG PHE A 76 -1.390 -2.015 18.201 1.00 0.00 C ATOM 1195 CD1 PHE A 76 -2.040 -0.970 18.868 1.00 0.00 C ATOM 1196 CD2 PHE A 76 -2.136 -2.974 17.505 1.00 0.00 C ATOM 1197 CE1 PHE A 76 -3.437 -0.885 18.840 1.00 0.00 C ATOM 1198 CE2 PHE A 76 -3.534 -2.888 17.478 1.00 0.00 C ATOM 1199 CZ PHE A 76 -4.184 -1.843 18.144 1.00 0.00 C ATOM 0 H PHE A 76 2.467 -3.429 19.165 1.00 0.00 H new ATOM 0 HA PHE A 76 0.244 -1.882 20.366 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.549 -1.124 17.997 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.465 -2.787 17.453 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.464 -0.230 19.404 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.634 -3.779 16.989 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.939 -0.080 19.356 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.110 -3.628 16.943 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.262 -1.775 18.121 1.00 0.00 H new ATOM 1209 N ASN A 77 -0.424 -4.151 21.135 1.00 0.00 N ATOM 1210 CA ASN A 77 -0.983 -5.436 21.546 1.00 0.00 C ATOM 1211 C ASN A 77 -2.243 -5.767 20.753 1.00 0.00 C ATOM 1212 O ASN A 77 -2.436 -6.906 20.325 1.00 0.00 O ATOM 1213 CB ASN A 77 -1.314 -5.408 23.040 1.00 0.00 C ATOM 1214 CG ASN A 77 -1.649 -6.813 23.525 1.00 0.00 C ATOM 1215 OD1 ASN A 77 -1.080 -7.790 23.039 1.00 0.00 O ATOM 1216 ND2 ASN A 77 -2.544 -6.975 24.460 1.00 0.00 N ATOM 0 H ASN A 77 -0.416 -3.439 21.865 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.237 -6.206 21.348 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.467 -5.013 23.601 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.157 -4.741 23.222 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.773 -7.913 24.790 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.015 -6.164 24.862 1.00 0.00 H new ATOM 1223 N GLY A 78 -3.098 -4.769 20.564 1.00 0.00 N ATOM 1224 CA GLY A 78 -4.340 -4.970 19.825 1.00 0.00 C ATOM 1225 C GLY A 78 -5.389 -5.648 20.699 1.00 0.00 C ATOM 1226 O GLY A 78 -5.201 -5.801 21.906 1.00 0.00 O ATOM 0 H GLY A 78 -2.957 -3.819 20.909 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.719 -4.010 19.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.148 -5.579 18.942 1.00 0.00 H new ATOM 1230 N VAL A 79 -6.497 -6.056 20.079 1.00 0.00 N ATOM 1231 CA VAL A 79 -7.586 -6.722 20.799 1.00 0.00 C ATOM 1232 C VAL A 79 -7.844 -8.107 20.214 1.00 0.00 C ATOM 1233 O VAL A 79 -8.037 -8.255 19.008 1.00 0.00 O ATOM 1234 CB VAL A 79 -8.862 -5.884 20.700 1.00 0.00 C ATOM 1235 CG1 VAL A 79 -10.002 -6.599 21.428 1.00 0.00 C ATOM 1236 CG2 VAL A 79 -8.623 -4.517 21.348 1.00 0.00 C ATOM 0 H VAL A 79 -6.665 -5.937 19.080 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.296 -6.827 21.845 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.129 -5.751 19.652 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.911 -6.001 21.357 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.172 -7.573 20.970 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.737 -6.733 22.477 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.531 -3.918 21.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.357 -4.653 22.396 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.811 -4.006 20.831 1.00 0.00 H new ATOM 1246 N LYS A 80 -7.844 -9.118 21.077 1.00 0.00 N ATOM 1247 CA LYS A 80 -8.079 -10.487 20.634 1.00 0.00 C ATOM 1248 C LYS A 80 -9.458 -10.608 19.995 1.00 0.00 C ATOM 1249 O LYS A 80 -9.617 -11.241 18.950 1.00 0.00 O ATOM 1250 CB LYS A 80 -7.981 -11.443 21.827 1.00 0.00 C ATOM 1251 CG LYS A 80 -8.147 -12.888 21.344 1.00 0.00 C ATOM 1252 CD LYS A 80 -7.968 -13.857 22.522 1.00 0.00 C ATOM 1253 CE LYS A 80 -6.544 -13.754 23.095 1.00 0.00 C ATOM 1254 NZ LYS A 80 -6.520 -12.730 24.178 1.00 0.00 N ATOM 0 H LYS A 80 -7.685 -9.016 22.079 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.322 -10.749 19.895 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.018 -11.323 22.323 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.750 -11.204 22.561 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.133 -13.021 20.899 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.415 -13.107 20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.697 -13.630 23.300 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.161 -14.878 22.193 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.227 -14.721 23.486 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.842 -13.483 22.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.850 -11.975 23.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.471 -12.325 24.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.223 -13.175 25.070 1.00 0.00 H new ATOM 1268 N LYS A 81 -10.454 -9.995 20.628 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.818 -10.038 20.115 1.00 0.00 C ATOM 1270 C LYS A 81 -12.655 -8.920 20.730 1.00 0.00 C ATOM 1271 O LYS A 81 -13.233 -8.155 19.975 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.454 -11.402 20.435 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.634 -11.684 19.484 1.00 0.00 C ATOM 1274 CD LYS A 81 -13.131 -12.316 18.179 1.00 0.00 C ATOM 1275 CE LYS A 81 -14.321 -12.603 17.262 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.233 -13.579 17.923 1.00 0.00 N ATOM 1277 OXT LYS A 81 -12.705 -8.844 21.947 1.00 0.00 O ATOM 0 H LYS A 81 -10.343 -9.465 21.493 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.789 -9.898 19.034 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.707 -12.190 20.340 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.801 -11.415 21.468 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.347 -12.352 19.967 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.163 -10.756 19.266 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.430 -11.645 17.684 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.592 -13.239 18.393 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.856 -11.679 17.043 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.972 -13.002 16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.814 -14.054 17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.670 -14.287 18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.852 -13.078 18.591 1.00 0.00 H new TER 1291 LYS A 81