USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 54 MET CE :methyl 148:sc= -0.216 (180deg=-0.752) USER MOD Set 1.2: A 58 THR OG1 : rot -2:sc= 0.134 USER MOD Set 2.1: A 44 ASN : amide:sc= 0.0586 K(o=1.3,f=-10!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 138:sc= 1.23 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0.793) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.995 K(o=1,f=-0.62) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -160:sc= -0.405 (180deg=-1.19) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 49 MET CE :methyl 178:sc= -0.449 (180deg=-0.483) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.832 X(o=-0.83,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= -0.901 (180deg=-4.44!) USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.05) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.538 -10.117 11.359 1.00 0.00 N ATOM 32 CA LYS A 2 3.081 -8.769 11.711 1.00 0.00 C ATOM 33 C LYS A 2 3.151 -7.789 10.528 1.00 0.00 C ATOM 34 O LYS A 2 3.792 -6.738 10.646 1.00 0.00 O ATOM 35 CB LYS A 2 3.905 -8.290 12.919 1.00 0.00 C ATOM 36 CG LYS A 2 3.327 -7.023 13.573 1.00 0.00 C ATOM 37 CD LYS A 2 2.487 -7.388 14.809 1.00 0.00 C ATOM 38 CE LYS A 2 2.173 -6.193 15.713 1.00 0.00 C ATOM 39 NZ LYS A 2 1.174 -5.268 15.148 1.00 0.00 N ATOM 0 HA LYS A 2 2.024 -8.804 11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.950 -9.087 13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.928 -8.093 12.599 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.138 -6.354 13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.710 -6.484 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.551 -7.840 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.019 -8.142 15.389 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.812 -6.561 16.674 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.094 -5.644 15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.275 -4.334 15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.323 -5.180 14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.218 -5.637 15.329 1.00 0.00 H new ATOM 53 N VAL A 3 2.609 -8.142 9.358 1.00 0.00 N ATOM 54 CA VAL A 3 2.743 -7.221 8.230 1.00 0.00 C ATOM 55 C VAL A 3 1.791 -6.050 8.437 1.00 0.00 C ATOM 56 O VAL A 3 0.700 -6.220 8.985 1.00 0.00 O ATOM 57 CB VAL A 3 2.524 -7.961 6.887 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.198 -7.077 5.669 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.792 -8.759 6.558 1.00 0.00 C ATOM 0 H VAL A 3 2.102 -9.007 9.173 1.00 0.00 H new ATOM 0 HA VAL A 3 3.756 -6.821 8.183 1.00 0.00 H new ATOM 0 HB VAL A 3 1.642 -8.581 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.066 -7.705 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.280 -6.521 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.017 -6.378 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.655 -9.287 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.639 -8.078 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.984 -9.480 7.352 1.00 0.00 H new ATOM 69 N LYS A 4 2.187 -4.869 7.965 1.00 0.00 N ATOM 70 CA LYS A 4 1.286 -3.741 7.797 1.00 0.00 C ATOM 71 C LYS A 4 1.192 -3.429 6.313 1.00 0.00 C ATOM 72 O LYS A 4 2.108 -3.784 5.561 1.00 0.00 O ATOM 73 CB LYS A 4 1.782 -2.524 8.591 1.00 0.00 C ATOM 74 CG LYS A 4 2.083 -2.839 10.067 1.00 0.00 C ATOM 75 CD LYS A 4 3.585 -2.867 10.383 1.00 0.00 C ATOM 76 CE LYS A 4 3.792 -3.400 11.803 1.00 0.00 C ATOM 77 NZ LYS A 4 5.055 -2.926 12.407 1.00 0.00 N ATOM 0 H LYS A 4 3.149 -4.672 7.688 1.00 0.00 H new ATOM 0 HA LYS A 4 0.297 -3.990 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.684 -2.135 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.031 -1.736 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.599 -2.093 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.646 -3.804 10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.108 -3.499 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.006 -1.866 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.955 -3.091 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.789 -4.490 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.148 -3.315 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.858 -3.242 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.049 -1.887 12.453 1.00 0.00 H new ATOM 91 N ILE A 5 0.165 -2.703 5.887 1.00 0.00 N ATOM 92 CA ILE A 5 0.113 -2.129 4.553 1.00 0.00 C ATOM 93 C ILE A 5 -0.469 -0.724 4.660 1.00 0.00 C ATOM 94 O ILE A 5 -1.418 -0.515 5.417 1.00 0.00 O ATOM 95 CB ILE A 5 -0.633 -3.106 3.603 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.025 -3.073 2.213 1.00 0.00 C ATOM 97 CG2 ILE A 5 -2.149 -2.882 3.497 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.068 -4.385 1.439 1.00 0.00 C ATOM 0 H ILE A 5 -0.654 -2.497 6.459 1.00 0.00 H new ATOM 0 HA ILE A 5 1.099 -2.007 4.104 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.535 -4.095 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.441 -2.284 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.076 -2.807 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.578 -3.613 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.604 -2.997 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.343 -1.877 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.421 -4.272 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.424 -5.177 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.116 -4.645 1.288 1.00 0.00 H new ATOM 110 N GLU A 6 0.077 0.237 3.919 1.00 0.00 N ATOM 111 CA GLU A 6 -0.402 1.614 3.937 1.00 0.00 C ATOM 112 C GLU A 6 -0.656 2.061 2.509 1.00 0.00 C ATOM 113 O GLU A 6 0.120 1.744 1.601 1.00 0.00 O ATOM 114 CB GLU A 6 0.594 2.579 4.584 1.00 0.00 C ATOM 115 CG GLU A 6 1.046 2.185 5.993 1.00 0.00 C ATOM 116 CD GLU A 6 2.058 3.168 6.588 1.00 0.00 C ATOM 117 OE1 GLU A 6 2.066 4.367 6.228 1.00 0.00 O ATOM 118 OE2 GLU A 6 2.791 2.765 7.523 1.00 0.00 O ATOM 0 H GLU A 6 0.864 0.082 3.289 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.314 1.636 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.473 2.655 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.143 3.570 4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.175 2.127 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.488 1.189 5.963 1.00 0.00 H new ATOM 125 N LEU A 7 -1.740 2.810 2.330 1.00 0.00 N ATOM 126 CA LEU A 7 -2.223 3.323 1.065 1.00 0.00 C ATOM 127 C LEU A 7 -2.425 4.823 1.229 1.00 0.00 C ATOM 128 O LEU A 7 -3.520 5.266 1.592 1.00 0.00 O ATOM 129 CB LEU A 7 -3.549 2.645 0.685 1.00 0.00 C ATOM 130 CG LEU A 7 -3.514 1.190 0.195 1.00 0.00 C ATOM 131 CD1 LEU A 7 -2.504 0.983 -0.925 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.317 0.150 1.304 1.00 0.00 C ATOM 0 H LEU A 7 -2.334 3.087 3.112 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.506 3.117 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.204 2.686 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.017 3.246 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.514 1.017 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.516 -0.061 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.764 1.618 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.507 1.243 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.305 -0.849 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.371 0.335 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.135 0.223 2.021 1.00 0.00 H new ATOM 144 N PHE A 8 -1.379 5.596 0.958 1.00 0.00 N ATOM 145 CA PHE A 8 -1.405 7.049 0.944 1.00 0.00 C ATOM 146 C PHE A 8 -1.498 7.452 -0.532 1.00 0.00 C ATOM 147 O PHE A 8 -0.503 7.688 -1.228 1.00 0.00 O ATOM 148 CB PHE A 8 -0.223 7.563 1.780 1.00 0.00 C ATOM 149 CG PHE A 8 -0.082 9.069 1.938 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.523 9.864 0.944 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.511 9.675 3.133 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.666 11.250 1.129 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.381 11.062 3.316 1.00 0.00 C ATOM 154 CZ PHE A 8 0.188 11.854 2.305 1.00 0.00 C ATOM 0 H PHE A 8 -0.460 5.213 0.735 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.260 7.523 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.298 7.125 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.696 7.183 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.879 9.405 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.944 9.069 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.143 11.850 0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.719 11.519 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.258 12.924 2.431 1.00 0.00 H new ATOM 164 N THR A 9 -2.728 7.405 -1.049 1.00 0.00 N ATOM 165 CA THR A 9 -3.062 7.530 -2.468 1.00 0.00 C ATOM 166 C THR A 9 -4.296 8.430 -2.611 1.00 0.00 C ATOM 167 O THR A 9 -4.878 8.834 -1.602 1.00 0.00 O ATOM 168 CB THR A 9 -3.275 6.125 -3.086 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.562 5.595 -2.827 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.295 5.060 -2.588 1.00 0.00 C ATOM 0 H THR A 9 -3.553 7.273 -0.464 1.00 0.00 H new ATOM 0 HA THR A 9 -2.243 7.995 -3.016 1.00 0.00 H new ATOM 0 HB THR A 9 -3.121 6.316 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.641 4.710 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.516 4.108 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.276 5.362 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.395 4.950 -1.508 1.00 0.00 H new ATOM 178 N SER A 10 -4.778 8.719 -3.820 1.00 0.00 N ATOM 179 CA SER A 10 -6.118 9.276 -3.978 1.00 0.00 C ATOM 180 C SER A 10 -6.870 8.514 -5.071 1.00 0.00 C ATOM 181 O SER A 10 -6.234 7.922 -5.955 1.00 0.00 O ATOM 182 CB SER A 10 -6.039 10.790 -4.213 1.00 0.00 C ATOM 183 OG SER A 10 -5.545 11.108 -5.499 1.00 0.00 O ATOM 0 H SER A 10 -4.268 8.579 -4.692 1.00 0.00 H new ATOM 0 HA SER A 10 -6.695 9.147 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.030 11.227 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.395 11.240 -3.457 1.00 0.00 H new ATOM 0 HG SER A 10 -5.513 12.082 -5.606 1.00 0.00 H new ATOM 274 N PRO A 17 -9.887 1.705 -6.369 1.00 0.00 N ATOM 275 CA PRO A 17 -10.091 0.721 -5.305 1.00 0.00 C ATOM 276 C PRO A 17 -8.940 0.545 -4.305 1.00 0.00 C ATOM 277 O PRO A 17 -9.219 0.031 -3.227 1.00 0.00 O ATOM 278 CB PRO A 17 -10.463 -0.606 -5.987 1.00 0.00 C ATOM 279 CG PRO A 17 -10.119 -0.392 -7.459 1.00 0.00 C ATOM 280 CD PRO A 17 -10.319 1.109 -7.631 1.00 0.00 C ATOM 0 HA PRO A 17 -10.889 1.097 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.901 -1.439 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.520 -0.836 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.096 -0.693 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.772 -0.966 -8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.732 1.490 -8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.362 1.345 -7.840 1.00 0.00 H new ATOM 288 N ALA A 18 -7.705 0.961 -4.613 1.00 0.00 N ATOM 289 CA ALA A 18 -6.498 0.889 -3.782 1.00 0.00 C ATOM 290 C ALA A 18 -6.568 -0.113 -2.625 1.00 0.00 C ATOM 291 O ALA A 18 -6.366 -1.308 -2.860 1.00 0.00 O ATOM 292 CB ALA A 18 -6.132 2.303 -3.286 1.00 0.00 C ATOM 0 H ALA A 18 -7.510 1.389 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.707 0.498 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.235 2.251 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.946 2.952 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.956 2.706 -2.697 1.00 0.00 H new ATOM 298 N ALA A 19 -6.838 0.351 -1.391 1.00 0.00 N ATOM 299 CA ALA A 19 -6.788 -0.516 -0.229 1.00 0.00 C ATOM 300 C ALA A 19 -7.698 -1.720 -0.372 1.00 0.00 C ATOM 301 O ALA A 19 -7.292 -2.763 0.088 1.00 0.00 O ATOM 302 CB ALA A 19 -7.093 0.229 1.072 1.00 0.00 C ATOM 0 H ALA A 19 -7.090 1.318 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.760 -0.874 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.042 -0.466 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.362 1.025 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.093 0.660 1.019 1.00 0.00 H new ATOM 308 N LYS A 20 -8.861 -1.653 -1.022 1.00 0.00 N ATOM 309 CA LYS A 20 -9.773 -2.795 -1.087 1.00 0.00 C ATOM 310 C LYS A 20 -9.021 -4.017 -1.635 1.00 0.00 C ATOM 311 O LYS A 20 -9.000 -5.054 -0.976 1.00 0.00 O ATOM 312 CB LYS A 20 -11.059 -2.460 -1.875 1.00 0.00 C ATOM 313 CG LYS A 20 -12.033 -1.493 -1.157 1.00 0.00 C ATOM 314 CD LYS A 20 -11.569 -0.027 -1.102 1.00 0.00 C ATOM 315 CE LYS A 20 -12.575 0.914 -0.430 1.00 0.00 C ATOM 316 NZ LYS A 20 -11.940 2.217 -0.140 1.00 0.00 N ATOM 0 H LYS A 20 -9.193 -0.821 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.116 -3.042 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.777 -2.023 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.587 -3.389 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.999 -1.534 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.189 -1.848 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.622 0.025 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.380 0.323 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.439 1.059 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.942 0.466 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.631 2.846 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.130 2.074 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.611 2.648 -1.027 1.00 0.00 H new ATOM 330 N ARG A 21 -8.326 -3.877 -2.771 1.00 0.00 N ATOM 331 CA ARG A 21 -7.470 -4.951 -3.277 1.00 0.00 C ATOM 332 C ARG A 21 -6.265 -5.187 -2.395 1.00 0.00 C ATOM 333 O ARG A 21 -5.904 -6.326 -2.143 1.00 0.00 O ATOM 334 CB ARG A 21 -6.935 -4.676 -4.678 1.00 0.00 C ATOM 335 CG ARG A 21 -8.048 -4.868 -5.721 1.00 0.00 C ATOM 336 CD ARG A 21 -7.490 -4.833 -7.145 1.00 0.00 C ATOM 337 NE ARG A 21 -6.520 -5.917 -7.358 1.00 0.00 N ATOM 338 CZ ARG A 21 -5.478 -5.907 -8.192 1.00 0.00 C ATOM 339 NH1 ARG A 21 -5.326 -4.919 -9.066 1.00 0.00 N ATOM 340 NH2 ARG A 21 -4.587 -6.885 -8.125 1.00 0.00 N ATOM 0 H ARG A 21 -8.341 -3.038 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.120 -5.826 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.547 -3.659 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.104 -5.347 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.550 -5.820 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.798 -4.086 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.306 -4.925 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.012 -3.871 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.658 -6.767 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.008 -4.161 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.527 -4.918 -9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.702 -7.634 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.786 -6.889 -8.757 1.00 0.00 H new ATOM 354 N VAL A 22 -5.554 -4.127 -2.025 1.00 0.00 N ATOM 355 CA VAL A 22 -4.260 -4.309 -1.391 1.00 0.00 C ATOM 356 C VAL A 22 -4.448 -5.012 -0.027 1.00 0.00 C ATOM 357 O VAL A 22 -3.649 -5.886 0.304 1.00 0.00 O ATOM 358 CB VAL A 22 -3.500 -2.963 -1.428 1.00 0.00 C ATOM 359 CG1 VAL A 22 -2.170 -2.996 -0.678 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.177 -2.570 -2.889 1.00 0.00 C ATOM 0 H VAL A 22 -5.845 -3.157 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.601 -4.994 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.162 -2.245 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.690 -2.019 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.349 -3.242 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.520 -3.750 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.642 -1.620 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.557 -3.342 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.105 -2.471 -3.453 1.00 0.00 H new ATOM 370 N VAL A 23 -5.530 -4.740 0.716 1.00 0.00 N ATOM 371 CA VAL A 23 -5.906 -5.445 1.929 1.00 0.00 C ATOM 372 C VAL A 23 -6.458 -6.833 1.628 1.00 0.00 C ATOM 373 O VAL A 23 -6.128 -7.754 2.370 1.00 0.00 O ATOM 374 CB VAL A 23 -6.845 -4.624 2.834 1.00 0.00 C ATOM 375 CG1 VAL A 23 -6.270 -3.219 3.082 1.00 0.00 C ATOM 376 CG2 VAL A 23 -8.337 -4.584 2.466 1.00 0.00 C ATOM 0 H VAL A 23 -6.184 -3.996 0.472 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.989 -5.583 2.502 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.863 -5.192 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.948 -2.656 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.298 -3.304 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.155 -2.700 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.874 -3.970 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.455 -4.157 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.742 -5.596 2.477 1.00 0.00 H new ATOM 386 N GLU A 24 -7.246 -7.008 0.558 1.00 0.00 N ATOM 387 CA GLU A 24 -7.618 -8.336 0.070 1.00 0.00 C ATOM 388 C GLU A 24 -6.363 -9.199 -0.104 1.00 0.00 C ATOM 389 O GLU A 24 -6.353 -10.349 0.330 1.00 0.00 O ATOM 390 CB GLU A 24 -8.489 -8.186 -1.197 1.00 0.00 C ATOM 391 CG GLU A 24 -8.504 -9.339 -2.212 1.00 0.00 C ATOM 392 CD GLU A 24 -7.475 -9.152 -3.337 1.00 0.00 C ATOM 393 OE1 GLU A 24 -7.629 -8.214 -4.157 1.00 0.00 O ATOM 394 OE2 GLU A 24 -6.548 -9.983 -3.453 1.00 0.00 O ATOM 0 H GLU A 24 -7.638 -6.239 0.014 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.233 -8.870 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.516 -8.013 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.163 -7.287 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.303 -10.277 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.500 -9.422 -2.647 1.00 0.00 H new ATOM 401 N GLU A 25 -5.288 -8.641 -0.656 1.00 0.00 N ATOM 402 CA GLU A 25 -4.089 -9.388 -0.981 1.00 0.00 C ATOM 403 C GLU A 25 -3.191 -9.623 0.258 1.00 0.00 C ATOM 404 O GLU A 25 -2.606 -10.703 0.370 1.00 0.00 O ATOM 405 CB GLU A 25 -3.388 -8.698 -2.167 1.00 0.00 C ATOM 406 CG GLU A 25 -2.249 -9.578 -2.717 1.00 0.00 C ATOM 407 CD GLU A 25 -2.734 -10.787 -3.536 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.960 -10.629 -4.763 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.765 -11.930 -3.031 1.00 0.00 O ATOM 0 H GLU A 25 -5.230 -7.650 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.348 -10.398 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.112 -8.497 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.988 -7.735 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.599 -8.965 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.644 -9.935 -1.883 1.00 0.00 H new ATOM 416 N VAL A 26 -3.091 -8.705 1.238 1.00 0.00 N ATOM 417 CA VAL A 26 -2.408 -9.075 2.496 1.00 0.00 C ATOM 418 C VAL A 26 -3.225 -10.071 3.321 1.00 0.00 C ATOM 419 O VAL A 26 -2.640 -10.988 3.907 1.00 0.00 O ATOM 420 CB VAL A 26 -1.951 -7.892 3.381 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.614 -7.342 2.897 1.00 0.00 C ATOM 422 CG2 VAL A 26 -2.923 -6.718 3.495 1.00 0.00 C ATOM 0 H VAL A 26 -3.452 -7.752 1.194 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.490 -9.552 2.154 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.885 -8.336 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.311 -6.511 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.140 -8.127 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.714 -6.994 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.494 -5.951 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.105 -6.299 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.864 -7.065 3.921 1.00 0.00 H new ATOM 432 N ALA A 27 -4.549 -9.902 3.389 1.00 0.00 N ATOM 433 CA ALA A 27 -5.417 -10.773 4.167 1.00 0.00 C ATOM 434 C ALA A 27 -5.571 -12.145 3.505 1.00 0.00 C ATOM 435 O ALA A 27 -5.851 -13.113 4.206 1.00 0.00 O ATOM 436 CB ALA A 27 -6.794 -10.125 4.333 1.00 0.00 C ATOM 0 H ALA A 27 -5.044 -9.154 2.903 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.957 -10.916 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.438 -10.783 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.687 -9.171 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.239 -9.959 3.352 1.00 0.00 H new ATOM 442 N ASN A 28 -5.368 -12.237 2.186 1.00 0.00 N ATOM 443 CA ASN A 28 -5.256 -13.495 1.453 1.00 0.00 C ATOM 444 C ASN A 28 -4.198 -14.346 2.132 1.00 0.00 C ATOM 445 O ASN A 28 -4.495 -15.443 2.596 1.00 0.00 O ATOM 446 CB ASN A 28 -4.888 -13.251 -0.024 1.00 0.00 C ATOM 447 CG ASN A 28 -4.348 -14.484 -0.744 1.00 0.00 C ATOM 448 OD1 ASN A 28 -4.696 -15.624 -0.443 1.00 0.00 O ATOM 449 ND2 ASN A 28 -3.473 -14.281 -1.712 1.00 0.00 N ATOM 0 H ASN A 28 -5.275 -11.416 1.587 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.217 -14.009 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.771 -12.892 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.142 -12.458 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.079 -15.074 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.191 -13.331 -1.954 1.00 0.00 H new ATOM 456 N GLU A 29 -2.965 -13.845 2.193 1.00 0.00 N ATOM 457 CA GLU A 29 -1.875 -14.627 2.738 1.00 0.00 C ATOM 458 C GLU A 29 -2.020 -14.801 4.244 1.00 0.00 C ATOM 459 O GLU A 29 -1.916 -15.926 4.726 1.00 0.00 O ATOM 460 CB GLU A 29 -0.532 -13.991 2.378 1.00 0.00 C ATOM 461 CG GLU A 29 -0.122 -14.314 0.938 1.00 0.00 C ATOM 462 CD GLU A 29 0.144 -15.814 0.765 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.118 -16.348 1.353 1.00 0.00 O ATOM 464 OE2 GLU A 29 -0.685 -16.508 0.139 1.00 0.00 O ATOM 0 H GLU A 29 -2.705 -12.912 1.874 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.911 -15.621 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.595 -12.910 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.236 -14.348 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.909 -13.999 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.773 -13.750 0.676 1.00 0.00 H new ATOM 471 N MET A 30 -2.252 -13.722 4.996 1.00 0.00 N ATOM 472 CA MET A 30 -2.277 -13.761 6.453 1.00 0.00 C ATOM 473 C MET A 30 -3.515 -13.041 6.974 1.00 0.00 C ATOM 474 O MET A 30 -3.424 -11.869 7.340 1.00 0.00 O ATOM 475 CB MET A 30 -0.980 -13.182 7.040 1.00 0.00 C ATOM 476 CG MET A 30 0.205 -14.141 6.815 1.00 0.00 C ATOM 477 SD MET A 30 1.099 -14.697 8.299 1.00 0.00 S ATOM 478 CE MET A 30 -0.167 -15.746 9.069 1.00 0.00 C ATOM 0 H MET A 30 -2.428 -12.796 4.606 1.00 0.00 H new ATOM 0 HA MET A 30 -2.335 -14.799 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.766 -12.219 6.577 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.109 -13.001 8.107 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.165 -15.022 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.918 -13.651 6.152 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.223 -16.167 9.996 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.052 -15.148 9.287 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.434 -16.554 8.388 1.00 0.00 H new ATOM 488 N PRO A 31 -4.664 -13.726 7.085 1.00 0.00 N ATOM 489 CA PRO A 31 -5.824 -13.222 7.802 1.00 0.00 C ATOM 490 C PRO A 31 -5.561 -13.312 9.317 1.00 0.00 C ATOM 491 O PRO A 31 -6.214 -14.077 10.026 1.00 0.00 O ATOM 492 CB PRO A 31 -6.990 -14.087 7.307 1.00 0.00 C ATOM 493 CG PRO A 31 -6.331 -15.437 7.028 1.00 0.00 C ATOM 494 CD PRO A 31 -4.926 -15.059 6.557 1.00 0.00 C ATOM 0 HA PRO A 31 -6.050 -12.171 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.776 -14.170 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.448 -13.670 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.300 -16.061 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.872 -15.998 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.188 -15.774 6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.866 -15.065 5.469 1.00 0.00 H new ATOM 502 N ASP A 32 -4.571 -12.557 9.810 1.00 0.00 N ATOM 503 CA ASP A 32 -4.183 -12.394 11.213 1.00 0.00 C ATOM 504 C ASP A 32 -3.018 -11.409 11.265 1.00 0.00 C ATOM 505 O ASP A 32 -3.170 -10.307 11.791 1.00 0.00 O ATOM 506 CB ASP A 32 -3.785 -13.725 11.878 1.00 0.00 C ATOM 507 CG ASP A 32 -3.141 -13.582 13.261 1.00 0.00 C ATOM 508 OD1 ASP A 32 -3.225 -12.506 13.900 1.00 0.00 O ATOM 509 OD2 ASP A 32 -2.546 -14.578 13.719 1.00 0.00 O ATOM 0 H ASP A 32 -3.978 -12.004 9.191 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.041 -12.020 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.673 -14.350 11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.091 -14.250 11.222 1.00 0.00 H new ATOM 514 N ALA A 33 -1.866 -11.784 10.700 1.00 0.00 N ATOM 515 CA ALA A 33 -0.629 -11.006 10.724 1.00 0.00 C ATOM 516 C ALA A 33 -0.659 -9.865 9.703 1.00 0.00 C ATOM 517 O ALA A 33 0.228 -9.769 8.848 1.00 0.00 O ATOM 518 CB ALA A 33 0.554 -11.936 10.469 1.00 0.00 C ATOM 0 H ALA A 33 -1.769 -12.666 10.198 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.524 -10.547 11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.480 -11.360 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.589 -12.702 11.244 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.440 -12.411 9.495 1.00 0.00 H new ATOM 524 N VAL A 34 -1.687 -9.031 9.790 1.00 0.00 N ATOM 525 CA VAL A 34 -2.026 -7.985 8.854 1.00 0.00 C ATOM 526 C VAL A 34 -2.535 -6.782 9.661 1.00 0.00 C ATOM 527 O VAL A 34 -3.385 -6.930 10.544 1.00 0.00 O ATOM 528 CB VAL A 34 -3.027 -8.562 7.823 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.356 -9.059 8.418 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.343 -7.517 6.753 1.00 0.00 C ATOM 0 H VAL A 34 -2.344 -9.076 10.569 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.176 -7.627 8.273 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.523 -9.433 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.990 -9.444 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.158 -9.852 9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.863 -8.233 8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.048 -7.934 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.782 -6.637 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.425 -7.234 6.239 1.00 0.00 H new ATOM 540 N GLU A 35 -2.017 -5.593 9.378 1.00 0.00 N ATOM 541 CA GLU A 35 -2.586 -4.292 9.719 1.00 0.00 C ATOM 542 C GLU A 35 -2.727 -3.537 8.404 1.00 0.00 C ATOM 543 O GLU A 35 -1.936 -3.762 7.481 1.00 0.00 O ATOM 544 CB GLU A 35 -1.637 -3.504 10.631 1.00 0.00 C ATOM 545 CG GLU A 35 -1.578 -4.014 12.070 1.00 0.00 C ATOM 546 CD GLU A 35 -0.259 -3.595 12.720 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.189 -2.503 13.333 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.711 -4.389 12.674 1.00 0.00 O ATOM 0 H GLU A 35 -1.135 -5.505 8.874 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.535 -4.415 10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.634 -3.536 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.946 -2.459 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.417 -3.615 12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.671 -5.100 12.084 1.00 0.00 H new ATOM 555 N VAL A 36 -3.698 -2.635 8.302 1.00 0.00 N ATOM 556 CA VAL A 36 -3.948 -1.902 7.072 1.00 0.00 C ATOM 557 C VAL A 36 -4.274 -0.449 7.398 1.00 0.00 C ATOM 558 O VAL A 36 -4.945 -0.170 8.393 1.00 0.00 O ATOM 559 CB VAL A 36 -5.043 -2.604 6.237 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.794 -4.119 6.082 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.461 -2.457 6.817 1.00 0.00 C ATOM 0 H VAL A 36 -4.329 -2.395 9.067 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.052 -1.896 6.451 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.982 -2.095 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.594 -4.560 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.839 -4.282 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.774 -4.587 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.172 -2.976 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.492 -2.890 7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.725 -1.401 6.870 1.00 0.00 H new ATOM 571 N GLU A 37 -3.857 0.479 6.542 1.00 0.00 N ATOM 572 CA GLU A 37 -4.151 1.896 6.667 1.00 0.00 C ATOM 573 C GLU A 37 -4.502 2.400 5.264 1.00 0.00 C ATOM 574 O GLU A 37 -3.733 2.218 4.318 1.00 0.00 O ATOM 575 CB GLU A 37 -2.956 2.645 7.285 1.00 0.00 C ATOM 576 CG GLU A 37 -2.558 2.121 8.679 1.00 0.00 C ATOM 577 CD GLU A 37 -1.433 2.947 9.306 1.00 0.00 C ATOM 578 OE1 GLU A 37 -1.648 4.147 9.587 1.00 0.00 O ATOM 579 OE2 GLU A 37 -0.307 2.424 9.494 1.00 0.00 O ATOM 0 H GLU A 37 -3.291 0.257 5.723 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.990 2.075 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.100 2.562 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.200 3.705 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.429 2.139 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.241 1.081 8.598 1.00 0.00 H new ATOM 586 N TYR A 38 -5.683 2.995 5.105 1.00 0.00 N ATOM 587 CA TYR A 38 -6.147 3.613 3.870 1.00 0.00 C ATOM 588 C TYR A 38 -6.362 5.086 4.174 1.00 0.00 C ATOM 589 O TYR A 38 -7.308 5.441 4.878 1.00 0.00 O ATOM 590 CB TYR A 38 -7.425 2.947 3.359 1.00 0.00 C ATOM 591 CG TYR A 38 -7.968 3.614 2.103 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.208 3.671 0.917 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.213 4.260 2.148 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.683 4.364 -0.209 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.682 4.976 1.038 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.924 5.036 -0.146 1.00 0.00 C ATOM 597 OH TYR A 38 -9.402 5.719 -1.224 1.00 0.00 O ATOM 0 H TYR A 38 -6.365 3.061 5.861 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.412 3.491 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.225 1.896 3.151 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.184 2.978 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.249 3.176 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.814 4.205 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.102 4.383 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.633 5.486 1.092 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.269 6.118 -1.000 1.00 0.00 H new ATOM 607 N ILE A 39 -5.467 5.936 3.689 1.00 0.00 N ATOM 608 CA ILE A 39 -5.368 7.328 4.093 1.00 0.00 C ATOM 609 C ILE A 39 -5.329 8.162 2.816 1.00 0.00 C ATOM 610 O ILE A 39 -4.265 8.447 2.266 1.00 0.00 O ATOM 611 CB ILE A 39 -4.194 7.551 5.086 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.802 7.004 4.676 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.578 7.035 6.484 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.524 5.502 4.853 1.00 0.00 C ATOM 0 H ILE A 39 -4.775 5.669 2.988 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.233 7.653 4.671 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.054 8.632 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.646 7.249 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.050 7.550 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.748 7.196 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.456 7.573 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.803 5.970 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.510 5.278 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.630 5.234 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.235 4.928 4.259 1.00 0.00 H new ATOM 626 N ASN A 40 -6.512 8.511 2.296 1.00 0.00 N ATOM 627 CA ASN A 40 -6.601 9.280 1.055 1.00 0.00 C ATOM 628 C ASN A 40 -5.848 10.606 1.215 1.00 0.00 C ATOM 629 O ASN A 40 -5.878 11.181 2.300 1.00 0.00 O ATOM 630 CB ASN A 40 -8.053 9.501 0.605 1.00 0.00 C ATOM 631 CG ASN A 40 -8.735 10.646 1.348 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.197 10.470 2.474 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.848 11.807 0.725 1.00 0.00 N ATOM 0 H ASN A 40 -7.412 8.274 2.713 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.129 8.700 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.069 9.708 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.621 8.584 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.328 12.584 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.455 11.925 -0.209 1.00 0.00 H new ATOM 640 N VAL A 41 -5.151 11.063 0.171 1.00 0.00 N ATOM 641 CA VAL A 41 -4.239 12.211 0.194 1.00 0.00 C ATOM 642 C VAL A 41 -5.024 13.507 0.445 1.00 0.00 C ATOM 643 O VAL A 41 -5.405 14.223 -0.481 1.00 0.00 O ATOM 644 CB VAL A 41 -3.372 12.213 -1.093 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.484 13.459 -1.269 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.401 11.021 -1.069 1.00 0.00 C ATOM 0 H VAL A 41 -5.208 10.627 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.538 12.135 1.026 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.096 12.177 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.915 13.372 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.111 14.350 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.797 13.538 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.795 11.027 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.751 11.098 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.968 10.091 -1.018 1.00 0.00 H new ATOM 656 N MET A 42 -5.256 13.798 1.719 1.00 0.00 N ATOM 657 CA MET A 42 -5.923 14.941 2.317 1.00 0.00 C ATOM 658 C MET A 42 -5.838 14.696 3.825 1.00 0.00 C ATOM 659 O MET A 42 -5.624 13.564 4.253 1.00 0.00 O ATOM 660 CB MET A 42 -7.415 14.973 1.918 1.00 0.00 C ATOM 661 CG MET A 42 -8.083 16.351 2.004 1.00 0.00 C ATOM 662 SD MET A 42 -8.029 17.368 0.497 1.00 0.00 S ATOM 663 CE MET A 42 -6.294 17.886 0.456 1.00 0.00 C ATOM 0 H MET A 42 -4.940 13.155 2.445 1.00 0.00 H new ATOM 0 HA MET A 42 -5.467 15.878 1.998 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.510 14.604 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.961 14.281 2.559 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.127 16.208 2.283 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.611 16.910 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.193 18.768 -0.176 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.961 18.123 1.466 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.683 17.079 0.053 1.00 0.00 H new ATOM 673 N GLU A 43 -6.092 15.732 4.620 1.00 0.00 N ATOM 674 CA GLU A 43 -6.485 15.648 6.026 1.00 0.00 C ATOM 675 C GLU A 43 -5.549 14.824 6.935 1.00 0.00 C ATOM 676 O GLU A 43 -5.921 14.442 8.046 1.00 0.00 O ATOM 677 CB GLU A 43 -7.938 15.155 6.063 1.00 0.00 C ATOM 678 CG GLU A 43 -8.715 15.692 7.268 1.00 0.00 C ATOM 679 CD GLU A 43 -9.992 14.883 7.448 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.931 15.058 6.634 1.00 0.00 O ATOM 681 OE2 GLU A 43 -10.015 14.023 8.359 1.00 0.00 O ATOM 0 H GLU A 43 -6.027 16.695 4.289 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.396 16.644 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.443 15.458 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.947 14.065 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.102 15.629 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.956 16.745 7.119 1.00 0.00 H new ATOM 688 N ASN A 44 -4.314 14.573 6.509 1.00 0.00 N ATOM 689 CA ASN A 44 -3.316 13.742 7.177 1.00 0.00 C ATOM 690 C ASN A 44 -1.959 14.432 7.007 1.00 0.00 C ATOM 691 O ASN A 44 -1.740 15.024 5.943 1.00 0.00 O ATOM 692 CB ASN A 44 -3.308 12.351 6.522 1.00 0.00 C ATOM 693 CG ASN A 44 -2.363 11.383 7.219 1.00 0.00 C ATOM 694 OD1 ASN A 44 -1.266 11.106 6.746 1.00 0.00 O ATOM 695 ND2 ASN A 44 -2.744 10.857 8.370 1.00 0.00 N ATOM 0 H ASN A 44 -3.962 14.968 5.637 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.537 13.620 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.318 11.941 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.017 12.447 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.125 10.218 8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.657 11.090 8.760 1.00 0.00 H new ATOM 702 N PRO A 45 -1.065 14.410 8.014 1.00 0.00 N ATOM 703 CA PRO A 45 0.179 15.166 7.973 1.00 0.00 C ATOM 704 C PRO A 45 1.119 14.766 6.836 1.00 0.00 C ATOM 705 O PRO A 45 1.000 13.721 6.195 1.00 0.00 O ATOM 706 CB PRO A 45 0.841 14.971 9.340 1.00 0.00 C ATOM 707 CG PRO A 45 0.173 13.725 9.904 1.00 0.00 C ATOM 708 CD PRO A 45 -1.236 13.843 9.344 1.00 0.00 C ATOM 0 HA PRO A 45 -0.044 16.213 7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.919 14.837 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.683 15.835 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.668 12.812 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.180 13.716 10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.726 12.870 9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.857 14.484 9.970 1.00 0.00 H new ATOM 716 N GLN A 46 2.139 15.595 6.633 1.00 0.00 N ATOM 717 CA GLN A 46 3.124 15.443 5.577 1.00 0.00 C ATOM 718 C GLN A 46 4.210 14.419 5.934 1.00 0.00 C ATOM 719 O GLN A 46 5.246 14.385 5.272 1.00 0.00 O ATOM 720 CB GLN A 46 3.672 16.829 5.197 1.00 0.00 C ATOM 721 CG GLN A 46 2.546 17.646 4.534 1.00 0.00 C ATOM 722 CD GLN A 46 3.084 18.777 3.671 1.00 0.00 C ATOM 723 OE1 GLN A 46 3.286 18.597 2.474 1.00 0.00 O ATOM 724 NE2 GLN A 46 3.323 19.949 4.226 1.00 0.00 N ATOM 0 H GLN A 46 2.304 16.414 7.218 1.00 0.00 H new ATOM 0 HA GLN A 46 2.646 15.023 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.040 17.345 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.516 16.727 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.933 16.985 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.897 18.059 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.151 20.086 5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.680 20.718 3.659 1.00 0.00 H new ATOM 733 N LYS A 47 3.981 13.540 6.920 1.00 0.00 N ATOM 734 CA LYS A 47 4.903 12.453 7.257 1.00 0.00 C ATOM 735 C LYS A 47 5.224 11.564 6.048 1.00 0.00 C ATOM 736 O LYS A 47 6.277 10.942 6.010 1.00 0.00 O ATOM 737 CB LYS A 47 4.368 11.641 8.460 1.00 0.00 C ATOM 738 CG LYS A 47 3.566 10.367 8.125 1.00 0.00 C ATOM 739 CD LYS A 47 2.204 10.559 7.449 1.00 0.00 C ATOM 740 CE LYS A 47 1.861 9.262 6.701 1.00 0.00 C ATOM 741 NZ LYS A 47 0.427 8.942 6.743 1.00 0.00 N ATOM 0 H LYS A 47 3.147 13.566 7.507 1.00 0.00 H new ATOM 0 HA LYS A 47 5.851 12.901 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.215 11.357 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.735 12.295 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.180 9.741 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.410 9.812 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.438 10.785 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.237 11.401 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.178 9.353 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.425 8.437 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.118 8.608 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.258 8.198 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.111 9.793 7.002 1.00 0.00 H new ATOM 755 N ALA A 48 4.277 11.446 5.107 1.00 0.00 N ATOM 756 CA ALA A 48 4.513 10.863 3.799 1.00 0.00 C ATOM 757 C ALA A 48 4.918 11.914 2.763 1.00 0.00 C ATOM 758 O ALA A 48 5.719 11.635 1.878 1.00 0.00 O ATOM 759 CB ALA A 48 3.278 10.100 3.327 1.00 0.00 C ATOM 0 H ALA A 48 3.316 11.760 5.245 1.00 0.00 H new ATOM 0 HA ALA A 48 5.347 10.169 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.470 9.669 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.050 9.303 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.431 10.783 3.264 1.00 0.00 H new ATOM 765 N MET A 49 4.340 13.118 2.803 1.00 0.00 N ATOM 766 CA MET A 49 4.615 14.105 1.756 1.00 0.00 C ATOM 767 C MET A 49 6.062 14.603 1.769 1.00 0.00 C ATOM 768 O MET A 49 6.504 15.220 0.808 1.00 0.00 O ATOM 769 CB MET A 49 3.639 15.277 1.772 1.00 0.00 C ATOM 770 CG MET A 49 2.189 14.819 1.614 1.00 0.00 C ATOM 771 SD MET A 49 1.030 16.132 1.158 1.00 0.00 S ATOM 772 CE MET A 49 1.578 16.424 -0.548 1.00 0.00 C ATOM 0 H MET A 49 3.695 13.428 3.530 1.00 0.00 H new ATOM 0 HA MET A 49 4.464 13.569 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.746 15.825 2.708 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.890 15.969 0.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.149 14.038 0.855 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.859 14.370 2.551 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.948 17.186 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.614 16.763 -0.544 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.502 15.498 -1.118 1.00 0.00 H new ATOM 782 N GLU A 50 6.815 14.305 2.823 1.00 0.00 N ATOM 783 CA GLU A 50 8.244 14.541 2.876 1.00 0.00 C ATOM 784 C GLU A 50 9.032 13.743 1.818 1.00 0.00 C ATOM 785 O GLU A 50 10.190 14.087 1.567 1.00 0.00 O ATOM 786 CB GLU A 50 8.739 14.205 4.291 1.00 0.00 C ATOM 787 CG GLU A 50 8.780 12.696 4.576 1.00 0.00 C ATOM 788 CD GLU A 50 9.336 12.433 5.976 1.00 0.00 C ATOM 789 OE1 GLU A 50 8.614 12.622 6.981 1.00 0.00 O ATOM 790 OE2 GLU A 50 10.532 12.061 6.078 1.00 0.00 O ATOM 0 H GLU A 50 6.439 13.887 3.674 1.00 0.00 H new ATOM 0 HA GLU A 50 8.422 15.591 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.737 14.621 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.089 14.688 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.778 12.276 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.400 12.196 3.832 1.00 0.00 H new ATOM 797 N TYR A 51 8.467 12.664 1.254 1.00 0.00 N ATOM 798 CA TYR A 51 9.170 11.760 0.342 1.00 0.00 C ATOM 799 C TYR A 51 9.619 12.500 -0.929 1.00 0.00 C ATOM 800 O TYR A 51 9.014 13.491 -1.346 1.00 0.00 O ATOM 801 CB TYR A 51 8.272 10.550 0.003 1.00 0.00 C ATOM 802 CG TYR A 51 8.064 9.529 1.123 1.00 0.00 C ATOM 803 CD1 TYR A 51 9.152 9.048 1.883 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.770 9.043 1.416 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.922 8.279 3.037 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.533 8.283 2.571 1.00 0.00 C ATOM 807 CZ TYR A 51 7.603 7.969 3.429 1.00 0.00 C ATOM 808 OH TYR A 51 7.363 7.341 4.610 1.00 0.00 O ATOM 0 H TYR A 51 7.498 12.395 1.423 1.00 0.00 H new ATOM 0 HA TYR A 51 10.069 11.392 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.296 10.924 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.702 10.034 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.163 9.271 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.954 9.259 0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.756 7.925 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.535 7.941 2.800 1.00 0.00 H new ATOM 0 HH TYR A 51 6.398 7.207 4.719 1.00 0.00 H new ATOM 818 N GLY A 52 10.682 12.007 -1.568 1.00 0.00 N ATOM 819 CA GLY A 52 11.254 12.593 -2.773 1.00 0.00 C ATOM 820 C GLY A 52 10.246 12.572 -3.913 1.00 0.00 C ATOM 821 O GLY A 52 9.413 11.668 -3.980 1.00 0.00 O ATOM 0 H GLY A 52 11.176 11.172 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.563 13.619 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.149 12.042 -3.062 1.00 0.00 H new ATOM 825 N ILE A 53 10.313 13.589 -4.782 1.00 0.00 N ATOM 826 CA ILE A 53 9.318 13.990 -5.793 1.00 0.00 C ATOM 827 C ILE A 53 7.863 13.992 -5.277 1.00 0.00 C ATOM 828 O ILE A 53 6.932 14.082 -6.080 1.00 0.00 O ATOM 829 CB ILE A 53 9.482 13.199 -7.120 1.00 0.00 C ATOM 830 CG1 ILE A 53 9.102 11.706 -7.004 1.00 0.00 C ATOM 831 CG2 ILE A 53 10.909 13.361 -7.669 1.00 0.00 C ATOM 832 CD1 ILE A 53 8.798 11.022 -8.336 1.00 0.00 C ATOM 0 H ILE A 53 11.127 14.203 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 53 9.535 15.035 -6.015 1.00 0.00 H new ATOM 0 HB ILE A 53 8.772 13.632 -7.825 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.918 11.174 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.230 11.616 -6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.007 12.801 -8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.108 14.416 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.625 12.982 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.541 9.978 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.961 11.524 -8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.675 11.075 -8.981 1.00 0.00 H new ATOM 844 N MET A 54 7.658 13.914 -3.958 1.00 0.00 N ATOM 845 CA MET A 54 6.439 13.468 -3.303 1.00 0.00 C ATOM 846 C MET A 54 5.802 12.340 -4.110 1.00 0.00 C ATOM 847 O MET A 54 4.680 12.453 -4.609 1.00 0.00 O ATOM 848 CB MET A 54 5.521 14.635 -2.931 1.00 0.00 C ATOM 849 CG MET A 54 4.750 14.298 -1.653 1.00 0.00 C ATOM 850 SD MET A 54 3.233 13.309 -1.793 1.00 0.00 S ATOM 851 CE MET A 54 3.819 11.667 -1.295 1.00 0.00 C ATOM 0 H MET A 54 8.382 14.176 -3.289 1.00 0.00 H new ATOM 0 HA MET A 54 6.675 13.033 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.110 15.541 -2.784 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.825 14.836 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.430 13.770 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.490 15.237 -1.165 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.013 11.129 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.134 11.110 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.663 11.773 -0.613 1.00 0.00 H new ATOM 861 N ALA A 55 6.582 11.270 -4.275 1.00 0.00 N ATOM 862 CA ALA A 55 6.257 10.130 -5.105 1.00 0.00 C ATOM 863 C ALA A 55 4.916 9.561 -4.678 1.00 0.00 C ATOM 864 O ALA A 55 4.767 9.107 -3.544 1.00 0.00 O ATOM 865 CB ALA A 55 7.358 9.076 -5.002 1.00 0.00 C ATOM 0 H ALA A 55 7.487 11.179 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 55 6.187 10.443 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.104 8.222 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.303 9.504 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.453 8.749 -3.967 1.00 0.00 H new ATOM 871 N VAL A 56 3.951 9.598 -5.579 1.00 0.00 N ATOM 872 CA VAL A 56 2.607 9.089 -5.389 1.00 0.00 C ATOM 873 C VAL A 56 2.413 7.960 -6.405 1.00 0.00 C ATOM 874 O VAL A 56 2.975 8.037 -7.503 1.00 0.00 O ATOM 875 CB VAL A 56 1.619 10.273 -5.505 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.243 9.957 -6.107 1.00 0.00 C ATOM 877 CG2 VAL A 56 1.413 10.891 -4.116 1.00 0.00 C ATOM 0 H VAL A 56 4.091 10.002 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 56 2.424 8.659 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 56 2.090 10.956 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.359 10.865 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.368 9.573 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.259 9.208 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.717 11.727 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.007 10.139 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.369 11.247 -3.731 1.00 0.00 H new ATOM 887 N PRO A 57 1.608 6.931 -6.090 1.00 0.00 N ATOM 888 CA PRO A 57 0.975 6.680 -4.798 1.00 0.00 C ATOM 889 C PRO A 57 2.010 6.222 -3.772 1.00 0.00 C ATOM 890 O PRO A 57 2.786 5.314 -4.054 1.00 0.00 O ATOM 891 CB PRO A 57 -0.032 5.565 -5.063 1.00 0.00 C ATOM 892 CG PRO A 57 0.496 4.831 -6.282 1.00 0.00 C ATOM 893 CD PRO A 57 1.386 5.830 -7.004 1.00 0.00 C ATOM 0 HA PRO A 57 0.504 7.576 -4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.113 4.897 -4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.027 5.969 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.058 3.943 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.320 4.497 -6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.331 5.369 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.911 6.179 -7.921 1.00 0.00 H new ATOM 901 N THR A 58 1.997 6.805 -2.576 1.00 0.00 N ATOM 902 CA THR A 58 2.809 6.318 -1.476 1.00 0.00 C ATOM 903 C THR A 58 2.175 5.005 -1.025 1.00 0.00 C ATOM 904 O THR A 58 1.005 4.974 -0.627 1.00 0.00 O ATOM 905 CB THR A 58 2.797 7.372 -0.369 1.00 0.00 C ATOM 906 OG1 THR A 58 3.413 8.562 -0.798 1.00 0.00 O ATOM 907 CG2 THR A 58 3.426 6.953 0.960 1.00 0.00 C ATOM 0 H THR A 58 1.428 7.620 -2.348 1.00 0.00 H new ATOM 0 HA THR A 58 3.849 6.144 -1.753 1.00 0.00 H new ATOM 0 HB THR A 58 1.735 7.518 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.754 8.444 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.361 7.778 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.894 6.089 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.472 6.692 0.801 1.00 0.00 H new ATOM 915 N ILE A 59 2.934 3.918 -1.099 1.00 0.00 N ATOM 916 CA ILE A 59 2.522 2.615 -0.620 1.00 0.00 C ATOM 917 C ILE A 59 3.584 2.184 0.376 1.00 0.00 C ATOM 918 O ILE A 59 4.775 2.318 0.096 1.00 0.00 O ATOM 919 CB ILE A 59 2.399 1.614 -1.789 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.574 2.140 -2.982 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.806 0.292 -1.264 1.00 0.00 C ATOM 922 CD1 ILE A 59 0.086 2.306 -2.703 1.00 0.00 C ATOM 0 H ILE A 59 3.871 3.924 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 59 1.539 2.650 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 59 3.405 1.457 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.981 3.102 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.698 1.456 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.717 -0.419 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.461 -0.121 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.820 0.479 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.412 2.680 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.342 1.343 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.054 3.015 -1.887 1.00 0.00 H new ATOM 934 N VAL A 60 3.167 1.616 1.498 1.00 0.00 N ATOM 935 CA VAL A 60 4.072 0.916 2.399 1.00 0.00 C ATOM 936 C VAL A 60 3.605 -0.539 2.374 1.00 0.00 C ATOM 937 O VAL A 60 2.394 -0.783 2.394 1.00 0.00 O ATOM 938 CB VAL A 60 4.080 1.574 3.797 1.00 0.00 C ATOM 939 CG1 VAL A 60 5.265 1.108 4.646 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.180 3.111 3.739 1.00 0.00 C ATOM 0 H VAL A 60 2.196 1.627 1.809 1.00 0.00 H new ATOM 0 HA VAL A 60 5.117 0.968 2.093 1.00 0.00 H new ATOM 0 HB VAL A 60 3.131 1.270 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.229 1.597 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.214 0.027 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.197 1.368 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.181 3.514 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.103 3.397 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.327 3.511 3.190 1.00 0.00 H new ATOM 950 N ILE A 61 4.534 -1.492 2.251 1.00 0.00 N ATOM 951 CA ILE A 61 4.252 -2.924 2.350 1.00 0.00 C ATOM 952 C ILE A 61 5.263 -3.546 3.310 1.00 0.00 C ATOM 953 O ILE A 61 6.413 -3.100 3.361 1.00 0.00 O ATOM 954 CB ILE A 61 4.271 -3.623 0.967 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.650 -3.530 0.284 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.207 -3.054 0.009 1.00 0.00 C ATOM 957 CD1 ILE A 61 5.815 -4.451 -0.922 1.00 0.00 C ATOM 0 H ILE A 61 5.518 -1.285 2.077 1.00 0.00 H new ATOM 0 HA ILE A 61 3.242 -3.064 2.736 1.00 0.00 H new ATOM 0 HB ILE A 61 4.043 -4.669 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.817 -2.501 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.422 -3.767 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.261 -3.576 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.216 -3.191 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.390 -1.991 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.812 -4.324 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.683 -5.487 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.068 -4.201 -1.676 1.00 0.00 H new ATOM 969 N ASN A 62 4.865 -4.613 4.017 1.00 0.00 N ATOM 970 CA ASN A 62 5.552 -5.148 5.202 1.00 0.00 C ATOM 971 C ASN A 62 5.745 -4.040 6.250 1.00 0.00 C ATOM 972 O ASN A 62 4.966 -3.999 7.203 1.00 0.00 O ATOM 973 CB ASN A 62 6.816 -5.936 4.810 1.00 0.00 C ATOM 974 CG ASN A 62 6.884 -7.336 5.408 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.989 -7.518 6.618 1.00 0.00 O ATOM 976 ND2 ASN A 62 6.823 -8.365 4.585 1.00 0.00 N ATOM 0 H ASN A 62 4.030 -5.145 3.772 1.00 0.00 H new ATOM 0 HA ASN A 62 4.928 -5.894 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.861 -6.013 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.695 -5.374 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.863 -9.315 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.736 -8.210 3.581 1.00 0.00 H new ATOM 983 N GLY A 63 6.698 -3.126 6.031 1.00 0.00 N ATOM 984 CA GLY A 63 6.781 -1.801 6.638 1.00 0.00 C ATOM 985 C GLY A 63 7.654 -0.806 5.852 1.00 0.00 C ATOM 986 O GLY A 63 7.927 0.273 6.371 1.00 0.00 O ATOM 0 H GLY A 63 7.471 -3.305 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.775 -1.391 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.180 -1.899 7.648 1.00 0.00 H new ATOM 990 N ASP A 64 8.169 -1.150 4.662 1.00 0.00 N ATOM 991 CA ASP A 64 9.029 -0.279 3.835 1.00 0.00 C ATOM 992 C ASP A 64 8.202 0.548 2.826 1.00 0.00 C ATOM 993 O ASP A 64 7.276 -0.015 2.235 1.00 0.00 O ATOM 994 CB ASP A 64 10.069 -1.160 3.124 1.00 0.00 C ATOM 995 CG ASP A 64 11.165 -0.347 2.434 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.305 0.858 2.714 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.965 -0.931 1.659 1.00 0.00 O ATOM 0 H ASP A 64 7.998 -2.060 4.235 1.00 0.00 H new ATOM 0 HA ASP A 64 9.537 0.443 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.525 -1.833 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.566 -1.783 2.385 1.00 0.00 H new ATOM 1002 N VAL A 65 8.521 1.832 2.587 1.00 0.00 N ATOM 1003 CA VAL A 65 7.757 2.756 1.723 1.00 0.00 C ATOM 1004 C VAL A 65 8.286 2.769 0.280 1.00 0.00 C ATOM 1005 O VAL A 65 9.486 2.626 0.053 1.00 0.00 O ATOM 1006 CB VAL A 65 7.690 4.161 2.383 1.00 0.00 C ATOM 1007 CG1 VAL A 65 9.033 4.905 2.469 1.00 0.00 C ATOM 1008 CG2 VAL A 65 6.648 5.095 1.735 1.00 0.00 C ATOM 0 H VAL A 65 9.343 2.271 3.002 1.00 0.00 H new ATOM 0 HA VAL A 65 6.732 2.396 1.635 1.00 0.00 H new ATOM 0 HB VAL A 65 7.380 3.922 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.882 5.874 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.737 4.318 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.433 5.051 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.655 6.058 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.894 5.240 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.657 4.648 1.818 1.00 0.00 H new ATOM 1018 N GLU A 66 7.423 2.982 -0.719 1.00 0.00 N ATOM 1019 CA GLU A 66 7.675 2.641 -2.125 1.00 0.00 C ATOM 1020 C GLU A 66 6.475 3.071 -2.995 1.00 0.00 C ATOM 1021 O GLU A 66 5.524 3.648 -2.458 1.00 0.00 O ATOM 1022 CB GLU A 66 7.852 1.119 -2.192 1.00 0.00 C ATOM 1023 CG GLU A 66 9.200 0.650 -2.744 1.00 0.00 C ATOM 1024 CD GLU A 66 9.049 0.317 -4.216 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.681 -0.849 -4.475 1.00 0.00 O ATOM 1026 OE2 GLU A 66 9.221 1.207 -5.076 1.00 0.00 O ATOM 0 H GLU A 66 6.508 3.406 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 66 8.562 3.153 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.724 0.709 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.058 0.703 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.952 1.428 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.546 -0.225 -2.195 1.00 0.00 H new ATOM 1033 N PHE A 67 6.512 2.846 -4.320 1.00 0.00 N ATOM 1034 CA PHE A 67 5.479 3.287 -5.268 1.00 0.00 C ATOM 1035 C PHE A 67 5.822 2.677 -6.626 1.00 0.00 C ATOM 1036 O PHE A 67 6.971 2.768 -7.060 1.00 0.00 O ATOM 1037 CB PHE A 67 5.446 4.826 -5.396 1.00 0.00 C ATOM 1038 CG PHE A 67 6.640 5.489 -6.060 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.846 5.652 -5.353 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.545 5.952 -7.388 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.944 6.280 -5.963 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.652 6.562 -8.005 1.00 0.00 C ATOM 1043 CZ PHE A 67 8.852 6.730 -7.292 1.00 0.00 C ATOM 0 H PHE A 67 7.277 2.342 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 67 4.499 2.966 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.552 5.100 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.338 5.247 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.927 5.293 -4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.620 5.838 -7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.861 6.418 -5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.580 6.902 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.701 7.203 -7.764 1.00 0.00 H new ATOM 1053 N ILE A 68 4.866 2.036 -7.309 1.00 0.00 N ATOM 1054 CA ILE A 68 5.116 1.428 -8.611 1.00 0.00 C ATOM 1055 C ILE A 68 3.970 1.789 -9.547 1.00 0.00 C ATOM 1056 O ILE A 68 2.927 1.134 -9.529 1.00 0.00 O ATOM 1057 CB ILE A 68 5.403 -0.093 -8.510 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.414 -0.343 -7.378 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.956 -0.544 -9.871 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.927 -1.763 -7.289 1.00 0.00 C ATOM 0 H ILE A 68 3.908 1.927 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 68 6.033 1.834 -9.037 1.00 0.00 H new ATOM 0 HB ILE A 68 4.502 -0.661 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.263 0.327 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.948 -0.080 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.171 -1.612 -9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.218 -0.345 -10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.872 0.004 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.633 -1.844 -6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.091 -2.442 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.427 -2.028 -8.221 1.00 0.00 H new ATOM 1072 N GLY A 69 4.192 2.820 -10.363 1.00 0.00 N ATOM 1073 CA GLY A 69 3.242 3.295 -11.353 1.00 0.00 C ATOM 1074 C GLY A 69 2.301 4.341 -10.772 1.00 0.00 C ATOM 1075 O GLY A 69 2.513 4.865 -9.680 1.00 0.00 O ATOM 0 H GLY A 69 5.060 3.356 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.781 3.720 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.662 2.454 -11.734 1.00 0.00 H new ATOM 1079 N ALA A 70 1.286 4.697 -11.553 1.00 0.00 N ATOM 1080 CA ALA A 70 0.118 5.440 -11.116 1.00 0.00 C ATOM 1081 C ALA A 70 -0.849 4.613 -10.247 1.00 0.00 C ATOM 1082 O ALA A 70 -1.403 5.191 -9.303 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.608 5.976 -12.346 1.00 0.00 C ATOM 0 H ALA A 70 1.257 4.465 -12.546 1.00 0.00 H new ATOM 0 HA ALA A 70 0.467 6.254 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.489 6.537 -12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.060 6.631 -12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.914 5.143 -12.979 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.133 3.317 -10.507 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.894 2.522 -9.552 1.00 0.00 C ATOM 1091 C PRO A 71 -1.039 2.277 -8.307 1.00 0.00 C ATOM 1092 O PRO A 71 0.149 2.594 -8.268 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.246 1.216 -10.269 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.084 1.043 -11.237 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.709 2.471 -11.620 1.00 0.00 C ATOM 0 HA PRO A 71 -2.804 3.022 -9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.322 0.380 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.201 1.285 -10.790 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.248 0.522 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.375 0.459 -12.110 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.364 2.559 -11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.203 2.768 -12.545 1.00 0.00 H new ATOM 1103 N THR A 72 -1.647 1.674 -7.288 1.00 0.00 N ATOM 1104 CA THR A 72 -0.947 1.132 -6.132 1.00 0.00 C ATOM 1105 C THR A 72 0.155 0.152 -6.568 1.00 0.00 C ATOM 1106 O THR A 72 0.281 -0.187 -7.742 1.00 0.00 O ATOM 1107 CB THR A 72 -1.986 0.437 -5.226 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.808 -0.455 -5.964 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.938 1.424 -4.551 1.00 0.00 C ATOM 0 H THR A 72 -2.658 1.547 -7.244 1.00 0.00 H new ATOM 0 HA THR A 72 -0.456 1.935 -5.581 1.00 0.00 H new ATOM 0 HB THR A 72 -1.392 -0.089 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.453 -0.880 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.646 0.878 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.366 2.115 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.482 1.983 -5.312 1.00 0.00 H new ATOM 1117 N LYS A 73 0.913 -0.374 -5.601 1.00 0.00 N ATOM 1118 CA LYS A 73 2.092 -1.221 -5.796 1.00 0.00 C ATOM 1119 C LYS A 73 1.718 -2.628 -6.306 1.00 0.00 C ATOM 1120 O LYS A 73 2.241 -3.603 -5.790 1.00 0.00 O ATOM 1121 CB LYS A 73 2.858 -1.234 -4.466 1.00 0.00 C ATOM 1122 CG LYS A 73 4.196 -1.961 -4.566 1.00 0.00 C ATOM 1123 CD LYS A 73 5.373 -1.157 -4.031 1.00 0.00 C ATOM 1124 CE LYS A 73 5.739 -1.479 -2.576 1.00 0.00 C ATOM 1125 NZ LYS A 73 7.152 -1.915 -2.448 1.00 0.00 N ATOM 0 H LYS A 73 0.711 -0.213 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 73 2.734 -0.820 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.030 -0.208 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.245 -1.713 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.130 -2.901 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.385 -2.214 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.242 -1.341 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.140 -0.095 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.572 -0.598 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.081 -2.263 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.536 -1.585 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.200 -2.953 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.711 -1.513 -3.227 1.00 0.00 H new ATOM 1139 N GLU A 74 0.810 -2.780 -7.269 1.00 0.00 N ATOM 1140 CA GLU A 74 0.335 -4.064 -7.784 1.00 0.00 C ATOM 1141 C GLU A 74 1.511 -4.974 -8.159 1.00 0.00 C ATOM 1142 O GLU A 74 1.484 -6.168 -7.853 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.586 -3.839 -8.993 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.910 -3.148 -8.627 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.868 -3.085 -9.821 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.085 -4.127 -10.480 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.462 -2.016 -10.095 1.00 0.00 O ATOM 0 H GLU A 74 0.369 -1.984 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.234 -4.562 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.061 -3.235 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.802 -4.800 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.386 -3.686 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.707 -2.138 -8.271 1.00 0.00 H new ATOM 1154 N ALA A 75 2.559 -4.392 -8.750 1.00 0.00 N ATOM 1155 CA ALA A 75 3.817 -5.055 -9.050 1.00 0.00 C ATOM 1156 C ALA A 75 4.399 -5.733 -7.803 1.00 0.00 C ATOM 1157 O ALA A 75 4.429 -6.961 -7.744 1.00 0.00 O ATOM 1158 CB ALA A 75 4.775 -4.027 -9.654 1.00 0.00 C ATOM 0 H ALA A 75 2.547 -3.414 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 75 3.654 -5.852 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.726 -4.508 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.342 -3.619 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.941 -3.220 -8.940 1.00 0.00 H new ATOM 1164 N LEU A 76 4.870 -4.972 -6.805 1.00 0.00 N ATOM 1165 CA LEU A 76 5.511 -5.588 -5.630 1.00 0.00 C ATOM 1166 C LEU A 76 4.500 -6.347 -4.760 1.00 0.00 C ATOM 1167 O LEU A 76 4.886 -7.244 -4.021 1.00 0.00 O ATOM 1168 CB LEU A 76 6.262 -4.542 -4.780 1.00 0.00 C ATOM 1169 CG LEU A 76 7.696 -4.875 -4.338 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.803 -6.142 -3.495 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.642 -4.982 -5.528 1.00 0.00 C ATOM 0 H LEU A 76 4.823 -3.953 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 76 6.236 -6.306 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.293 -3.611 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.671 -4.351 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 76 7.992 -4.037 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.845 -6.310 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.205 -6.029 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.436 -6.993 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.646 -5.218 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.298 -5.771 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.660 -4.033 -6.065 1.00 0.00 H new ATOM 1183 N VAL A 77 3.208 -6.025 -4.826 1.00 0.00 N ATOM 1184 CA VAL A 77 2.148 -6.765 -4.148 1.00 0.00 C ATOM 1185 C VAL A 77 2.069 -8.191 -4.724 1.00 0.00 C ATOM 1186 O VAL A 77 1.902 -9.145 -3.971 1.00 0.00 O ATOM 1187 CB VAL A 77 0.840 -5.943 -4.214 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.422 -6.729 -3.870 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.903 -4.751 -3.238 1.00 0.00 C ATOM 0 H VAL A 77 2.865 -5.228 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 77 2.354 -6.901 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 77 0.771 -5.627 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.290 -6.074 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.535 -7.559 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.344 -7.117 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.025 -4.183 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.039 -5.120 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.740 -4.106 -3.505 1.00 0.00 H new ATOM 1199 N GLU A 78 2.317 -8.383 -6.021 1.00 0.00 N ATOM 1200 CA GLU A 78 2.501 -9.711 -6.616 1.00 0.00 C ATOM 1201 C GLU A 78 3.694 -10.466 -5.999 1.00 0.00 C ATOM 1202 O GLU A 78 3.770 -11.686 -6.143 1.00 0.00 O ATOM 1203 CB GLU A 78 2.692 -9.520 -8.128 1.00 0.00 C ATOM 1204 CG GLU A 78 2.101 -10.631 -8.996 1.00 0.00 C ATOM 1205 CD GLU A 78 2.079 -10.141 -10.443 1.00 0.00 C ATOM 1206 OE1 GLU A 78 1.068 -9.531 -10.863 1.00 0.00 O ATOM 1207 OE2 GLU A 78 3.115 -10.240 -11.143 1.00 0.00 O ATOM 0 H GLU A 78 2.396 -7.619 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 78 1.623 -10.324 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.241 -8.572 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.759 -9.443 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.698 -11.539 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.093 -10.879 -8.663 1.00 0.00 H new ATOM 1214 N ALA A 79 4.619 -9.786 -5.306 1.00 0.00 N ATOM 1215 CA ALA A 79 5.699 -10.408 -4.548 1.00 0.00 C ATOM 1216 C ALA A 79 5.270 -10.659 -3.102 1.00 0.00 C ATOM 1217 O ALA A 79 5.443 -11.783 -2.637 1.00 0.00 O ATOM 1218 CB ALA A 79 6.979 -9.582 -4.600 1.00 0.00 C ATOM 0 H ALA A 79 4.632 -8.767 -5.260 1.00 0.00 H new ATOM 0 HA ALA A 79 5.915 -11.368 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.758 -10.081 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.304 -9.480 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.792 -8.594 -4.179 1.00 0.00 H new ATOM 1224 N ILE A 80 4.642 -9.702 -2.397 1.00 0.00 N ATOM 1225 CA ILE A 80 4.118 -9.971 -1.050 1.00 0.00 C ATOM 1226 C ILE A 80 3.249 -11.234 -1.027 1.00 0.00 C ATOM 1227 O ILE A 80 3.377 -12.046 -0.111 1.00 0.00 O ATOM 1228 CB ILE A 80 3.437 -8.746 -0.392 1.00 0.00 C ATOM 1229 CG1 ILE A 80 1.927 -8.562 -0.691 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.249 -7.477 -0.656 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.310 -7.340 -0.013 1.00 0.00 C ATOM 0 H ILE A 80 4.487 -8.751 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 80 4.982 -10.171 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 80 3.441 -8.959 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.787 -8.478 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.391 -9.455 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.756 -6.626 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.250 -7.592 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.321 -7.308 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.252 -7.277 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.417 -7.431 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.820 -6.439 -0.354 1.00 0.00 H new ATOM 1243 N LYS A 81 2.430 -11.461 -2.061 1.00 0.00 N ATOM 1244 CA LYS A 81 1.635 -12.685 -2.169 1.00 0.00 C ATOM 1245 C LYS A 81 2.379 -13.868 -2.787 1.00 0.00 C ATOM 1246 O LYS A 81 1.882 -14.990 -2.710 1.00 0.00 O ATOM 1247 CB LYS A 81 0.312 -12.379 -2.867 1.00 0.00 C ATOM 1248 CG LYS A 81 0.428 -11.992 -4.349 1.00 0.00 C ATOM 1249 CD LYS A 81 0.428 -13.142 -5.354 1.00 0.00 C ATOM 1250 CE LYS A 81 -0.623 -14.242 -5.110 1.00 0.00 C ATOM 1251 NZ LYS A 81 -2.012 -13.738 -5.004 1.00 0.00 N ATOM 0 H LYS A 81 2.302 -10.810 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 81 1.424 -13.023 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.334 -13.253 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.182 -11.567 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.399 -11.325 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.348 -11.422 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.271 -12.729 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.416 -13.602 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.571 -14.966 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.370 -14.774 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.668 -14.541 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.099 -13.136 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.245 -13.182 -5.852 1.00 0.00 H new ATOM 1265 N LYS A 82 3.561 -13.668 -3.378 1.00 0.00 N ATOM 1266 CA LYS A 82 4.502 -14.763 -3.608 1.00 0.00 C ATOM 1267 C LYS A 82 4.957 -15.258 -2.239 1.00 0.00 C ATOM 1268 O LYS A 82 4.824 -16.444 -1.945 1.00 0.00 O ATOM 1269 CB LYS A 82 5.624 -14.375 -4.604 1.00 0.00 C ATOM 1270 CG LYS A 82 7.057 -14.124 -4.090 1.00 0.00 C ATOM 1271 CD LYS A 82 7.841 -15.399 -3.760 1.00 0.00 C ATOM 1272 CE LYS A 82 8.355 -16.091 -5.024 1.00 0.00 C ATOM 1273 NZ LYS A 82 9.166 -17.276 -4.695 1.00 0.00 N ATOM 0 H LYS A 82 3.887 -12.758 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 82 4.031 -15.602 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.681 -15.166 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.301 -13.471 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.606 -13.558 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.006 -13.501 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.683 -15.151 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.202 -16.085 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.511 -16.387 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.952 -15.390 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.500 -17.723 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.984 -16.988 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.588 -17.954 -4.159 1.00 0.00 H new ATOM 1287 N ARG A 83 5.455 -14.356 -1.387 1.00 0.00 N ATOM 1288 CA ARG A 83 5.931 -14.631 -0.032 1.00 0.00 C ATOM 1289 C ARG A 83 6.388 -13.348 0.657 1.00 0.00 C ATOM 1290 O ARG A 83 6.137 -13.196 1.856 1.00 0.00 O ATOM 1291 CB ARG A 83 7.120 -15.620 -0.041 1.00 0.00 C ATOM 1292 CG ARG A 83 6.999 -16.696 1.038 1.00 0.00 C ATOM 1293 CD ARG A 83 6.996 -16.144 2.465 1.00 0.00 C ATOM 1294 NE ARG A 83 7.370 -17.192 3.419 1.00 0.00 N ATOM 1295 CZ ARG A 83 6.538 -18.046 4.020 1.00 0.00 C ATOM 1296 NH1 ARG A 83 5.223 -17.977 3.846 1.00 0.00 N ATOM 1297 NH2 ARG A 83 7.031 -18.982 4.816 1.00 0.00 N ATOM 0 H ARG A 83 5.540 -13.371 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 83 5.094 -15.070 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.183 -16.097 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.048 -15.068 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.080 -17.259 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.826 -17.398 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.693 -15.309 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.007 -15.757 2.710 1.00 0.00 H new ATOM 0 HE ARG A 83 8.361 -17.277 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.826 -17.259 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.611 -18.643 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.038 -19.046 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.404 -19.639 5.280 1.00 0.00 H new