USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 88 HIS :FLIP no HE2:sc= -18! C(o=-19!,f=-18!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 101 TYR OH : rot 164:sc= 0.0154 USER MOD Set 2.1: A 41 MET CE :methyl -151:sc= -4.86! (180deg=-5.91!) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.0494 USER MOD Set 3.1: A 28 MET CE :methyl -128:sc= -26.6! (180deg=-28.4!) USER MOD Set 3.2: A 80 MET CE :methyl 173:sc= -6.29! (180deg=-6.93!) USER MOD Set 4.1: A 21 MET CE :methyl 178:sc= -6.75! (180deg=-0.317) USER MOD Set 4.2: A 83 HIS : no HE2:sc= -6.63! C(o=-13!,f=-18!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.455 F(o=-1.6,f=-0.46) USER MOD Single : A 33 SER OG : rot -82:sc= 0.926 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -4.16! C(o=-4.2!,f=-8.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -8.56! C(o=-14!,f=-8.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -22:sc= -5.49! USER MOD Single : A 78 SER OG : rot 11:sc= -0.52 USER MOD Single : A 79 SER OG : rot 75:sc= 0.915 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -2:sc= 1.53! USER MOD Single : A 96 SER OG : rot 25:sc= 0.00298 USER MOD Single : A 98 GLN : amide:sc= -0.237 K(o=-0.24,f=-3.4!) USER MOD Single : A 99 CYS SG : rot -43:sc= 1.89 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 3.657 10.562 -4.793 1.00 0.00 N ATOM 28 CA PRO A 14 5.084 10.807 -4.802 1.00 0.00 C ATOM 29 C PRO A 14 5.824 9.502 -5.059 1.00 0.00 C ATOM 30 O PRO A 14 7.053 9.473 -5.057 1.00 0.00 O ATOM 31 CB PRO A 14 5.396 11.349 -3.409 1.00 0.00 C ATOM 32 CG PRO A 14 4.339 10.672 -2.538 1.00 0.00 C ATOM 33 CD PRO A 14 3.118 10.644 -3.453 1.00 0.00 C ATOM 0 HA PRO A 14 5.391 11.505 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.407 11.092 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.317 12.435 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.643 9.669 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.147 11.234 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.478 9.790 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.509 11.539 -3.326 1.00 0.00 H new ATOM 41 N LEU A 15 5.073 8.420 -5.279 1.00 0.00 N ATOM 42 CA LEU A 15 5.660 7.120 -5.534 1.00 0.00 C ATOM 43 C LEU A 15 5.220 6.614 -6.900 1.00 0.00 C ATOM 44 O LEU A 15 4.247 7.109 -7.464 1.00 0.00 O ATOM 45 CB LEU A 15 5.238 6.148 -4.436 1.00 0.00 C ATOM 46 CG LEU A 15 4.461 6.902 -3.360 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.449 5.963 -2.711 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.430 7.417 -2.300 1.00 0.00 C ATOM 0 H LEU A 15 4.053 8.428 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 15 6.747 7.201 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.621 5.354 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.116 5.672 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 15 3.937 7.744 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.894 6.501 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.757 5.595 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.972 5.121 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.876 7.956 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.954 6.576 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.153 8.088 -2.763 1.00 0.00 H new ATOM 60 N THR A 16 5.940 5.624 -7.433 1.00 0.00 N ATOM 61 CA THR A 16 5.618 5.059 -8.727 1.00 0.00 C ATOM 62 C THR A 16 5.464 3.549 -8.611 1.00 0.00 C ATOM 63 O THR A 16 4.501 2.979 -9.120 1.00 0.00 O ATOM 64 CB THR A 16 6.716 5.415 -9.725 1.00 0.00 C ATOM 65 OG1 THR A 16 7.361 6.599 -9.310 1.00 0.00 O ATOM 66 CG2 THR A 16 6.102 5.627 -11.105 1.00 0.00 C ATOM 0 H THR A 16 6.751 5.202 -6.980 1.00 0.00 H new ATOM 0 HA THR A 16 4.674 5.473 -9.081 1.00 0.00 H new ATOM 0 HB THR A 16 7.441 4.603 -9.772 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.068 6.828 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.887 5.881 -11.817 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.603 4.712 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.376 6.439 -11.060 1.00 0.00 H new ATOM 74 N VAL A 17 6.417 2.902 -7.937 1.00 0.00 N ATOM 75 CA VAL A 17 6.385 1.465 -7.756 1.00 0.00 C ATOM 76 C VAL A 17 7.720 0.985 -7.206 1.00 0.00 C ATOM 77 O VAL A 17 7.767 0.036 -6.426 1.00 0.00 O ATOM 78 CB VAL A 17 6.077 0.792 -9.091 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.121 -0.285 -9.371 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.692 0.154 -9.031 1.00 0.00 C ATOM 0 H VAL A 17 7.221 3.361 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 17 5.604 1.201 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 17 6.101 1.536 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.901 -0.766 -10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.111 0.170 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.098 -1.030 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.471 -0.327 -9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.668 -0.590 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.946 0.923 -8.831 1.00 0.00 H new ATOM 90 N LYS A 18 8.808 1.644 -7.612 1.00 0.00 N ATOM 91 CA LYS A 18 10.135 1.281 -7.157 1.00 0.00 C ATOM 92 C LYS A 18 10.536 2.158 -5.979 1.00 0.00 C ATOM 93 O LYS A 18 11.701 2.180 -5.588 1.00 0.00 O ATOM 94 CB LYS A 18 11.125 1.435 -8.308 1.00 0.00 C ATOM 95 CG LYS A 18 10.888 0.330 -9.334 1.00 0.00 C ATOM 96 CD LYS A 18 12.144 -0.528 -9.458 1.00 0.00 C ATOM 97 CE LYS A 18 11.748 -2.000 -9.532 1.00 0.00 C ATOM 98 NZ LYS A 18 12.796 -2.857 -8.955 1.00 0.00 N ATOM 0 H LYS A 18 8.786 2.433 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 18 10.139 0.242 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.006 2.412 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.147 1.384 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.042 -0.287 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.635 0.765 -10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.704 -0.246 -10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.799 -0.359 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.811 -2.156 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.573 -2.282 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.503 -3.853 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.683 -2.723 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.944 -2.601 -7.958 1.00 0.00 H new ATOM 112 N SER A 19 9.567 2.882 -5.415 1.00 0.00 N ATOM 113 CA SER A 19 9.824 3.754 -4.287 1.00 0.00 C ATOM 114 C SER A 19 10.239 2.926 -3.078 1.00 0.00 C ATOM 115 O SER A 19 9.753 1.813 -2.888 1.00 0.00 O ATOM 116 CB SER A 19 8.571 4.569 -3.979 1.00 0.00 C ATOM 117 OG SER A 19 8.911 5.934 -3.883 1.00 0.00 O ATOM 0 H SER A 19 8.596 2.875 -5.729 1.00 0.00 H new ATOM 0 HA SER A 19 10.637 4.439 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.827 4.423 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.123 4.228 -3.046 1.00 0.00 H new ATOM 0 HG SER A 19 8.107 6.458 -3.687 1.00 0.00 H new ATOM 123 N ASP A 20 11.140 3.473 -2.259 1.00 0.00 N ATOM 124 CA ASP A 20 11.615 2.785 -1.076 1.00 0.00 C ATOM 125 C ASP A 20 10.458 2.059 -0.404 1.00 0.00 C ATOM 126 O ASP A 20 9.492 2.689 0.021 1.00 0.00 O ATOM 127 CB ASP A 20 12.249 3.793 -0.122 1.00 0.00 C ATOM 128 CG ASP A 20 13.757 3.599 -0.050 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.224 2.574 -0.592 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.415 4.479 0.546 1.00 0.00 O ATOM 0 H ASP A 20 11.552 4.395 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 20 12.368 2.048 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.024 4.806 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.816 3.681 0.872 1.00 0.00 H new ATOM 136 N MET A 21 10.558 0.732 -0.307 1.00 0.00 N ATOM 137 CA MET A 21 9.520 -0.068 0.311 1.00 0.00 C ATOM 138 C MET A 21 9.079 0.575 1.619 1.00 0.00 C ATOM 139 O MET A 21 7.888 0.634 1.914 1.00 0.00 O ATOM 140 CB MET A 21 10.044 -1.480 0.555 1.00 0.00 C ATOM 141 CG MET A 21 9.680 -2.369 -0.631 1.00 0.00 C ATOM 142 SD MET A 21 10.837 -2.253 -2.019 1.00 0.00 S ATOM 143 CE MET A 21 12.246 -3.128 -1.295 1.00 0.00 C ATOM 0 H MET A 21 11.353 0.195 -0.652 1.00 0.00 H new ATOM 0 HA MET A 21 8.657 -0.123 -0.353 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.125 -1.460 0.690 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.616 -1.885 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.634 -3.405 -0.295 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.682 -2.102 -0.979 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.052 -3.188 -2.026 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.595 -2.590 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.941 -4.134 -1.008 1.00 0.00 H new ATOM 153 N SER A 22 10.046 1.060 2.402 1.00 0.00 N ATOM 154 CA SER A 22 9.753 1.696 3.670 1.00 0.00 C ATOM 155 C SER A 22 9.005 3.001 3.433 1.00 0.00 C ATOM 156 O SER A 22 8.196 3.414 4.261 1.00 0.00 O ATOM 157 CB SER A 22 11.056 1.950 4.423 1.00 0.00 C ATOM 158 OG SER A 22 12.061 2.326 3.509 1.00 0.00 O ATOM 0 H SER A 22 11.039 1.020 2.171 1.00 0.00 H new ATOM 0 HA SER A 22 9.121 1.042 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.912 2.735 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.358 1.052 4.963 1.00 0.00 H new ATOM 0 HG SER A 22 12.898 2.491 3.992 1.00 0.00 H new ATOM 164 N ALA A 23 9.277 3.648 2.297 1.00 0.00 N ATOM 165 CA ALA A 23 8.630 4.899 1.957 1.00 0.00 C ATOM 166 C ALA A 23 7.179 4.643 1.577 1.00 0.00 C ATOM 167 O ALA A 23 6.305 5.457 1.868 1.00 0.00 O ATOM 168 CB ALA A 23 9.381 5.563 0.807 1.00 0.00 C ATOM 0 H ALA A 23 9.945 3.317 1.601 1.00 0.00 H new ATOM 0 HA ALA A 23 8.647 5.567 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.895 6.504 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.410 5.757 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.375 4.903 -0.061 1.00 0.00 H new ATOM 174 N ILE A 24 6.923 3.507 0.924 1.00 0.00 N ATOM 175 CA ILE A 24 5.582 3.147 0.507 1.00 0.00 C ATOM 176 C ILE A 24 4.719 2.874 1.731 1.00 0.00 C ATOM 177 O ILE A 24 3.705 3.537 1.938 1.00 0.00 O ATOM 178 CB ILE A 24 5.644 1.920 -0.398 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.299 2.297 -1.723 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.229 1.408 -0.657 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.588 3.510 -2.316 1.00 0.00 C ATOM 0 H ILE A 24 7.637 2.822 0.675 1.00 0.00 H new ATOM 0 HA ILE A 24 5.136 3.970 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 24 6.230 1.140 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.355 2.521 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.249 1.458 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.272 0.531 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.761 1.138 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.643 2.188 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.056 3.779 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.538 3.270 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.661 4.349 -1.624 1.00 0.00 H new ATOM 193 N VAL A 25 5.124 1.894 2.543 1.00 0.00 N ATOM 194 CA VAL A 25 4.388 1.538 3.739 1.00 0.00 C ATOM 195 C VAL A 25 4.232 2.763 4.630 1.00 0.00 C ATOM 196 O VAL A 25 3.178 2.966 5.228 1.00 0.00 O ATOM 197 CB VAL A 25 5.125 0.424 4.476 1.00 0.00 C ATOM 198 CG1 VAL A 25 6.057 1.033 5.519 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.111 -0.484 5.168 1.00 0.00 C ATOM 0 H VAL A 25 5.963 1.336 2.385 1.00 0.00 H new ATOM 0 HA VAL A 25 3.395 1.180 3.468 1.00 0.00 H new ATOM 0 HB VAL A 25 5.709 -0.159 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.583 0.237 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.780 1.682 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.474 1.616 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.636 -1.281 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.527 0.099 5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.445 -0.920 4.423 1.00 0.00 H new ATOM 209 N ARG A 26 5.285 3.579 4.716 1.00 0.00 N ATOM 210 CA ARG A 26 5.260 4.776 5.532 1.00 0.00 C ATOM 211 C ARG A 26 4.089 5.657 5.118 1.00 0.00 C ATOM 212 O ARG A 26 3.316 6.101 5.964 1.00 0.00 O ATOM 213 CB ARG A 26 6.581 5.524 5.376 1.00 0.00 C ATOM 214 CG ARG A 26 6.375 6.997 5.718 1.00 0.00 C ATOM 215 CD ARG A 26 6.148 7.791 4.435 1.00 0.00 C ATOM 216 NE ARG A 26 6.639 9.162 4.571 1.00 0.00 N ATOM 217 CZ ARG A 26 7.943 9.468 4.581 1.00 0.00 C ATOM 218 NH1 ARG A 26 8.860 8.498 4.461 1.00 0.00 N ATOM 219 NH2 ARG A 26 8.331 10.744 4.711 1.00 0.00 N ATOM 0 H ARG A 26 6.165 3.424 4.225 1.00 0.00 H new ATOM 0 HA ARG A 26 5.133 4.505 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.337 5.090 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.949 5.425 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.520 7.110 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.246 7.383 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.656 7.300 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.085 7.804 4.195 1.00 0.00 H new ATOM 0 HE ARG A 26 5.960 9.917 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.565 7.527 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.853 8.731 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.633 11.482 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.324 10.977 4.719 1.00 0.00 H new ATOM 233 N VAL A 27 3.961 5.909 3.814 1.00 0.00 N ATOM 234 CA VAL A 27 2.888 6.734 3.296 1.00 0.00 C ATOM 235 C VAL A 27 1.545 6.132 3.681 1.00 0.00 C ATOM 236 O VAL A 27 0.790 6.731 4.444 1.00 0.00 O ATOM 237 CB VAL A 27 3.018 6.842 1.779 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.922 7.756 1.239 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.384 7.422 1.426 1.00 0.00 C ATOM 0 H VAL A 27 4.595 5.548 3.101 1.00 0.00 H new ATOM 0 HA VAL A 27 2.952 7.734 3.725 1.00 0.00 H new ATOM 0 HB VAL A 27 2.918 5.852 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.014 7.834 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.946 7.342 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.022 8.746 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.478 7.499 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.485 8.412 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.167 6.769 1.812 1.00 0.00 H new ATOM 249 N MET A 28 1.246 4.943 3.151 1.00 0.00 N ATOM 250 CA MET A 28 -0.004 4.271 3.443 1.00 0.00 C ATOM 251 C MET A 28 -0.351 4.437 4.915 1.00 0.00 C ATOM 252 O MET A 28 -1.517 4.599 5.267 1.00 0.00 O ATOM 253 CB MET A 28 0.118 2.793 3.080 1.00 0.00 C ATOM 254 CG MET A 28 0.586 2.661 1.634 1.00 0.00 C ATOM 255 SD MET A 28 0.033 1.143 0.818 1.00 0.00 S ATOM 256 CE MET A 28 0.931 -0.068 1.821 1.00 0.00 C ATOM 0 H MET A 28 1.860 4.432 2.517 1.00 0.00 H new ATOM 0 HA MET A 28 -0.805 4.714 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.824 2.301 3.748 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.843 2.295 3.209 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.225 3.519 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.675 2.698 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.493 -0.736 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.619 0.451 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.222 -0.649 2.411 1.00 0.00 H new ATOM 266 N GLN A 29 0.668 4.396 5.778 1.00 0.00 N ATOM 267 CA GLN A 29 0.466 4.541 7.205 1.00 0.00 C ATOM 268 C GLN A 29 0.000 5.956 7.520 1.00 0.00 C ATOM 269 O GLN A 29 -0.945 6.145 8.283 1.00 0.00 O ATOM 270 CB GLN A 29 1.768 4.226 7.936 1.00 0.00 C ATOM 271 CG GLN A 29 1.628 2.901 8.679 1.00 0.00 C ATOM 272 CD GLN A 29 1.193 3.130 10.119 1.00 0.00 C ATOM 273 OE1 GLN A 29 0.364 4.154 10.339 1.00 0.00 O flip ATOM 274 NE2 GLN A 29 1.598 2.394 11.017 1.00 0.00 N flip ATOM 0 H GLN A 29 1.641 4.263 5.503 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.302 3.844 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.592 4.171 7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.006 5.025 8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.899 2.270 8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.579 2.368 8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.231 1.624 10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.301 2.553 11.980 1.00 0.00 H new ATOM 283 N LEU A 30 0.665 6.951 6.929 1.00 0.00 N ATOM 284 CA LEU A 30 0.317 8.340 7.148 1.00 0.00 C ATOM 285 C LEU A 30 -1.197 8.495 7.178 1.00 0.00 C ATOM 286 O LEU A 30 -1.902 7.888 6.374 1.00 0.00 O ATOM 287 CB LEU A 30 0.925 9.197 6.041 1.00 0.00 C ATOM 288 CG LEU A 30 2.445 9.188 6.169 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.065 9.806 4.919 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.858 9.997 7.396 1.00 0.00 C ATOM 0 H LEU A 30 1.450 6.810 6.293 1.00 0.00 H new ATOM 0 HA LEU A 30 0.716 8.671 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.629 8.813 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.550 10.218 6.109 1.00 0.00 H new ATOM 0 HG LEU A 30 2.794 8.161 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.151 9.800 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.771 9.228 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.716 10.833 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.944 9.990 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.509 11.024 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.416 9.555 8.289 1.00 0.00 H new ATOM 302 N PRO A 31 -1.697 9.310 8.110 1.00 0.00 N ATOM 303 CA PRO A 31 -3.108 9.579 8.287 1.00 0.00 C ATOM 304 C PRO A 31 -3.606 10.458 7.149 1.00 0.00 C ATOM 305 O PRO A 31 -4.778 10.829 7.116 1.00 0.00 O ATOM 306 CB PRO A 31 -3.203 10.309 9.625 1.00 0.00 C ATOM 307 CG PRO A 31 -1.862 11.037 9.709 1.00 0.00 C ATOM 308 CD PRO A 31 -0.898 10.038 9.072 1.00 0.00 C ATOM 0 HA PRO A 31 -3.717 8.675 8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.043 11.004 9.648 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.340 9.616 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.880 11.983 9.168 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.588 11.264 10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.064 10.547 8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.472 9.368 9.819 1.00 0.00 H new ATOM 316 N ASP A 32 -2.712 10.794 6.216 1.00 0.00 N ATOM 317 CA ASP A 32 -3.065 11.629 5.085 1.00 0.00 C ATOM 318 C ASP A 32 -2.506 11.024 3.805 1.00 0.00 C ATOM 319 O ASP A 32 -2.053 11.748 2.921 1.00 0.00 O ATOM 320 CB ASP A 32 -2.517 13.036 5.304 1.00 0.00 C ATOM 321 CG ASP A 32 -3.129 13.672 6.543 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.313 14.063 6.455 1.00 0.00 O ATOM 323 OD2 ASP A 32 -2.402 13.755 7.557 1.00 0.00 O ATOM 0 H ASP A 32 -1.737 10.495 6.229 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.150 11.686 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.433 12.996 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.730 13.653 4.431 1.00 0.00 H new ATOM 329 N SER A 33 -2.539 9.693 3.707 1.00 0.00 N ATOM 330 CA SER A 33 -2.037 9.002 2.537 1.00 0.00 C ATOM 331 C SER A 33 -3.201 8.532 1.676 1.00 0.00 C ATOM 332 O SER A 33 -3.264 8.844 0.489 1.00 0.00 O ATOM 333 CB SER A 33 -1.177 7.820 2.975 1.00 0.00 C ATOM 334 OG SER A 33 -1.790 7.173 4.067 1.00 0.00 O ATOM 0 H SER A 33 -2.911 9.078 4.431 1.00 0.00 H new ATOM 0 HA SER A 33 -1.424 9.681 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.052 7.121 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.181 8.165 3.255 1.00 0.00 H new ATOM 0 HG SER A 33 -1.572 7.651 4.895 1.00 0.00 H new ATOM 340 N GLY A 34 -4.126 7.779 2.277 1.00 0.00 N ATOM 341 CA GLY A 34 -5.280 7.274 1.561 1.00 0.00 C ATOM 342 C GLY A 34 -5.701 5.924 2.124 1.00 0.00 C ATOM 343 O GLY A 34 -6.890 5.617 2.183 1.00 0.00 O ATOM 0 H GLY A 34 -4.090 7.510 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.105 7.982 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.045 7.177 0.501 1.00 0.00 H new ATOM 347 N LEU A 35 -4.722 5.117 2.539 1.00 0.00 N ATOM 348 CA LEU A 35 -4.994 3.807 3.094 1.00 0.00 C ATOM 349 C LEU A 35 -5.405 3.939 4.554 1.00 0.00 C ATOM 350 O LEU A 35 -6.435 3.407 4.962 1.00 0.00 O ATOM 351 CB LEU A 35 -3.752 2.930 2.960 1.00 0.00 C ATOM 352 CG LEU A 35 -4.108 1.488 3.310 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.583 1.241 3.010 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.253 0.537 2.476 1.00 0.00 C ATOM 0 H LEU A 35 -3.732 5.358 2.497 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.813 3.340 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.364 2.983 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.965 3.292 3.621 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.919 1.314 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.838 0.211 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.194 1.920 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.773 1.415 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.506 -0.493 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.442 0.711 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.199 0.713 2.690 1.00 0.00 H new ATOM 366 N GLU A 36 -4.596 4.652 5.341 1.00 0.00 N ATOM 367 CA GLU A 36 -4.883 4.850 6.748 1.00 0.00 C ATOM 368 C GLU A 36 -4.799 3.522 7.487 1.00 0.00 C ATOM 369 O GLU A 36 -5.804 2.834 7.649 1.00 0.00 O ATOM 370 CB GLU A 36 -6.270 5.467 6.901 1.00 0.00 C ATOM 371 CG GLU A 36 -6.137 6.899 7.412 1.00 0.00 C ATOM 372 CD GLU A 36 -6.780 7.883 6.445 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.632 8.667 6.917 1.00 0.00 O ATOM 374 OE2 GLU A 36 -6.409 7.832 5.253 1.00 0.00 O ATOM 0 H GLU A 36 -3.738 5.099 5.019 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.147 5.528 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.791 5.458 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.868 4.876 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.608 6.985 8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.083 7.147 7.542 1.00 0.00 H new ATOM 382 N ILE A 37 -3.594 3.164 7.937 1.00 0.00 N ATOM 383 CA ILE A 37 -3.382 1.925 8.657 1.00 0.00 C ATOM 384 C ILE A 37 -3.668 2.135 10.138 1.00 0.00 C ATOM 385 O ILE A 37 -2.860 2.728 10.850 1.00 0.00 O ATOM 386 CB ILE A 37 -1.946 1.452 8.445 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.544 1.685 6.991 1.00 0.00 C ATOM 388 CG2 ILE A 37 -1.848 -0.036 8.768 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.064 0.538 6.129 1.00 0.00 C ATOM 0 H ILE A 37 -2.751 3.724 7.810 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.061 1.160 8.280 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.278 2.011 9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.950 2.633 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.459 1.753 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.823 -0.374 8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.136 -0.203 9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.515 -0.595 8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.777 0.704 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.636 -0.402 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.151 0.492 6.202 1.00 0.00 H new ATOM 401 N ARG A 38 -4.821 1.646 10.600 1.00 0.00 N ATOM 402 CA ARG A 38 -5.207 1.783 11.990 1.00 0.00 C ATOM 403 C ARG A 38 -6.624 1.262 12.185 1.00 0.00 C ATOM 404 O ARG A 38 -6.933 0.671 13.217 1.00 0.00 O ATOM 405 CB ARG A 38 -5.109 3.249 12.402 1.00 0.00 C ATOM 406 CG ARG A 38 -3.849 3.459 13.238 1.00 0.00 C ATOM 407 CD ARG A 38 -3.154 4.744 12.796 1.00 0.00 C ATOM 408 NE ARG A 38 -2.138 5.152 13.767 1.00 0.00 N ATOM 409 CZ ARG A 38 -2.435 5.815 14.893 1.00 0.00 C ATOM 410 NH1 ARG A 38 -3.708 6.131 15.169 1.00 0.00 N ATOM 411 NH2 ARG A 38 -1.460 6.162 15.744 1.00 0.00 N ATOM 0 H ARG A 38 -5.500 1.151 10.022 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.536 1.197 12.618 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.082 3.885 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.991 3.537 12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.107 3.517 14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.176 2.610 13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.691 4.594 11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.891 5.539 12.680 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.162 4.922 13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.451 5.867 14.522 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.934 6.636 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.491 5.922 15.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.687 6.667 16.601 1.00 0.00 H new ATOM 425 N ASP A 39 -7.486 1.484 11.190 1.00 0.00 N ATOM 426 CA ASP A 39 -8.863 1.037 11.257 1.00 0.00 C ATOM 427 C ASP A 39 -9.348 0.653 9.867 1.00 0.00 C ATOM 428 O ASP A 39 -9.161 1.405 8.913 1.00 0.00 O ATOM 429 CB ASP A 39 -9.728 2.148 11.845 1.00 0.00 C ATOM 430 CG ASP A 39 -8.956 2.946 12.886 1.00 0.00 C ATOM 431 OD1 ASP A 39 -9.122 2.628 14.083 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.213 3.859 12.465 1.00 0.00 O ATOM 0 H ASP A 39 -7.245 1.974 10.328 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.935 0.160 11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.065 2.812 11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.620 1.717 12.300 1.00 0.00 H new ATOM 438 N ARG A 40 -9.974 -0.521 9.754 1.00 0.00 N ATOM 439 CA ARG A 40 -10.481 -0.998 8.484 1.00 0.00 C ATOM 440 C ARG A 40 -11.741 -1.822 8.708 1.00 0.00 C ATOM 441 O ARG A 40 -12.185 -1.985 9.843 1.00 0.00 O ATOM 442 CB ARG A 40 -9.408 -1.831 7.789 1.00 0.00 C ATOM 443 CG ARG A 40 -8.452 -0.906 7.039 1.00 0.00 C ATOM 444 CD ARG A 40 -8.696 -1.032 5.538 1.00 0.00 C ATOM 445 NE ARG A 40 -9.002 0.270 4.945 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.542 0.403 3.726 1.00 0.00 C ATOM 447 NH1 ARG A 40 -9.825 -0.685 2.996 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.798 1.623 3.236 1.00 0.00 N ATOM 0 H ARG A 40 -10.138 -1.155 10.536 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.733 -0.150 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.859 -2.422 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.870 -2.534 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.602 0.126 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.419 -1.165 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.815 -1.456 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.521 -1.721 5.357 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.796 1.112 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.629 -1.614 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.236 -0.584 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.582 2.451 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.209 1.724 2.308 1.00 0.00 H new ATOM 462 N MET A 41 -12.318 -2.342 7.623 1.00 0.00 N ATOM 463 CA MET A 41 -13.523 -3.144 7.709 1.00 0.00 C ATOM 464 C MET A 41 -13.370 -4.401 6.865 1.00 0.00 C ATOM 465 O MET A 41 -12.876 -4.341 5.741 1.00 0.00 O ATOM 466 CB MET A 41 -14.716 -2.318 7.238 1.00 0.00 C ATOM 467 CG MET A 41 -15.203 -1.430 8.379 1.00 0.00 C ATOM 468 SD MET A 41 -17.003 -1.244 8.449 1.00 0.00 S ATOM 469 CE MET A 41 -17.448 -2.926 8.948 1.00 0.00 C ATOM 0 H MET A 41 -11.963 -2.217 6.675 1.00 0.00 H new ATOM 0 HA MET A 41 -13.691 -3.445 8.743 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.432 -1.706 6.382 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.519 -2.976 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.854 -1.846 9.324 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.750 -0.444 8.278 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.439 -3.169 8.565 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.720 -3.630 8.545 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.453 -2.993 10.036 1.00 0.00 H new ATOM 479 N TRP A 42 -13.798 -5.543 7.409 1.00 0.00 N ATOM 480 CA TRP A 42 -13.707 -6.804 6.701 1.00 0.00 C ATOM 481 C TRP A 42 -14.693 -7.801 7.291 1.00 0.00 C ATOM 482 O TRP A 42 -14.853 -7.875 8.508 1.00 0.00 O ATOM 483 CB TRP A 42 -12.280 -7.336 6.792 1.00 0.00 C ATOM 484 CG TRP A 42 -12.048 -8.638 6.095 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.537 -9.749 6.669 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.306 -8.991 4.702 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.462 -10.759 5.732 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.924 -10.345 4.500 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.823 -8.305 3.589 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.048 -10.984 3.263 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.952 -8.937 2.343 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.566 -10.273 2.177 1.00 0.00 C ATOM 0 H TRP A 42 -14.210 -5.611 8.339 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.959 -6.654 5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.603 -6.591 6.374 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.017 -7.452 7.844 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.234 -9.834 7.702 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.109 -11.696 5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.126 -7.274 3.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.747 -12.015 3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.353 -8.388 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.668 -10.752 1.214 1.00 0.00 H new ATOM 503 N LEU A 43 -15.355 -8.572 6.425 1.00 0.00 N ATOM 504 CA LEU A 43 -16.321 -9.560 6.862 1.00 0.00 C ATOM 505 C LEU A 43 -17.531 -8.866 7.471 1.00 0.00 C ATOM 506 O LEU A 43 -18.292 -9.480 8.216 1.00 0.00 O ATOM 507 CB LEU A 43 -15.667 -10.495 7.876 1.00 0.00 C ATOM 508 CG LEU A 43 -15.177 -11.753 7.165 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.653 -11.735 7.091 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.635 -12.986 7.939 1.00 0.00 C ATOM 0 H LEU A 43 -15.233 -8.524 5.414 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.657 -10.148 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.833 -9.992 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.381 -10.760 8.656 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.589 -11.784 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.303 -12.634 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.326 -10.855 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.240 -11.704 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.285 -13.885 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.224 -12.956 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.724 -12.999 7.991 1.00 0.00 H new ATOM 522 N LYS A 44 -17.708 -7.582 7.153 1.00 0.00 N ATOM 523 CA LYS A 44 -18.823 -6.814 7.669 1.00 0.00 C ATOM 524 C LYS A 44 -18.562 -6.434 9.120 1.00 0.00 C ATOM 525 O LYS A 44 -19.490 -6.097 9.852 1.00 0.00 O ATOM 526 CB LYS A 44 -20.104 -7.633 7.547 1.00 0.00 C ATOM 527 CG LYS A 44 -20.289 -8.074 6.098 1.00 0.00 C ATOM 528 CD LYS A 44 -21.533 -7.407 5.518 1.00 0.00 C ATOM 529 CE LYS A 44 -21.289 -7.062 4.052 1.00 0.00 C ATOM 530 NZ LYS A 44 -22.040 -7.964 3.165 1.00 0.00 N ATOM 0 H LYS A 44 -17.086 -7.058 6.537 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.936 -5.898 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.055 -8.504 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.960 -7.040 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.412 -7.805 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.387 -9.158 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.391 -8.073 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.770 -6.504 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.586 -6.030 3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.224 -7.132 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.857 -7.708 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.738 -8.945 3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.057 -7.877 3.362 1.00 0.00 H new ATOM 544 N ILE A 45 -17.294 -6.490 9.534 1.00 0.00 N ATOM 545 CA ILE A 45 -16.915 -6.152 10.892 1.00 0.00 C ATOM 546 C ILE A 45 -15.949 -4.976 10.879 1.00 0.00 C ATOM 547 O ILE A 45 -15.545 -4.514 9.814 1.00 0.00 O ATOM 548 CB ILE A 45 -16.280 -7.368 11.560 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.818 -8.643 10.916 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.620 -7.367 13.047 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.368 -9.853 11.730 1.00 0.00 C ATOM 0 H ILE A 45 -16.514 -6.769 8.938 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.799 -5.864 11.460 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.198 -7.327 11.434 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.906 -8.608 10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.457 -8.726 9.891 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.167 -8.236 13.525 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.235 -6.457 13.508 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.702 -7.407 13.173 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.752 -10.764 11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.279 -9.890 11.755 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.751 -9.770 12.747 1.00 0.00 H new ATOM 563 N THR A 46 -15.579 -4.491 12.066 1.00 0.00 N ATOM 564 CA THR A 46 -14.664 -3.374 12.180 1.00 0.00 C ATOM 565 C THR A 46 -13.490 -3.754 13.071 1.00 0.00 C ATOM 566 O THR A 46 -13.675 -4.373 14.116 1.00 0.00 O ATOM 567 CB THR A 46 -15.404 -2.166 12.748 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.260 -1.634 11.762 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.395 -1.104 13.173 1.00 0.00 C ATOM 0 H THR A 46 -15.905 -4.861 12.959 1.00 0.00 H new ATOM 0 HA THR A 46 -14.277 -3.117 11.194 1.00 0.00 H new ATOM 0 HB THR A 46 -15.992 -2.474 13.613 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.737 -0.859 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.924 -0.241 13.579 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.733 -1.515 13.935 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.806 -0.795 12.309 1.00 0.00 H new ATOM 577 N ILE A 47 -12.278 -3.380 12.654 1.00 0.00 N ATOM 578 CA ILE A 47 -11.080 -3.679 13.412 1.00 0.00 C ATOM 579 C ILE A 47 -10.291 -2.400 13.655 1.00 0.00 C ATOM 580 O ILE A 47 -10.481 -1.409 12.953 1.00 0.00 O ATOM 581 CB ILE A 47 -10.238 -4.699 12.651 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.049 -5.974 12.440 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.982 -5.023 13.455 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.744 -5.915 11.082 1.00 0.00 C ATOM 0 H ILE A 47 -12.109 -2.867 11.789 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.353 -4.103 14.379 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.954 -4.285 11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.396 -6.845 12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.787 -6.084 13.234 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.380 -5.752 12.912 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.401 -4.113 13.606 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.266 -5.436 14.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.324 -6.825 10.930 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.409 -5.052 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.996 -5.825 10.294 1.00 0.00 H new ATOM 596 N ALA A 48 -9.404 -2.424 14.653 1.00 0.00 N ATOM 597 CA ALA A 48 -8.594 -1.269 14.983 1.00 0.00 C ATOM 598 C ALA A 48 -7.155 -1.508 14.549 1.00 0.00 C ATOM 599 O ALA A 48 -6.225 -1.275 15.319 1.00 0.00 O ATOM 600 CB ALA A 48 -8.670 -1.007 16.484 1.00 0.00 C ATOM 0 H ALA A 48 -9.235 -3.238 15.243 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.971 -0.393 14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.061 -0.138 16.733 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.705 -0.818 16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.298 -1.878 17.025 1.00 0.00 H new ATOM 606 N ASN A 49 -6.971 -1.975 13.312 1.00 0.00 N ATOM 607 CA ASN A 49 -5.648 -2.242 12.785 1.00 0.00 C ATOM 608 C ASN A 49 -5.717 -3.351 11.745 1.00 0.00 C ATOM 609 O ASN A 49 -5.695 -4.531 12.090 1.00 0.00 O ATOM 610 CB ASN A 49 -4.716 -2.631 13.929 1.00 0.00 C ATOM 611 CG ASN A 49 -3.882 -1.440 14.379 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.711 -0.481 13.630 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.362 -1.503 15.607 1.00 0.00 N ATOM 0 H ASN A 49 -7.731 -2.174 12.661 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.258 -1.346 12.303 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.301 -3.008 14.768 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.059 -3.440 13.609 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.794 -0.733 15.961 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.532 -2.321 16.192 1.00 0.00 H new ATOM 620 N ALA A 50 -5.802 -2.969 10.469 1.00 0.00 N ATOM 621 CA ALA A 50 -5.875 -3.930 9.387 1.00 0.00 C ATOM 622 C ALA A 50 -5.542 -3.247 8.068 1.00 0.00 C ATOM 623 O ALA A 50 -5.673 -2.032 7.946 1.00 0.00 O ATOM 624 CB ALA A 50 -7.273 -4.540 9.343 1.00 0.00 C ATOM 0 H ALA A 50 -5.821 -1.995 10.168 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.151 -4.727 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.329 -5.263 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.481 -5.041 10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.009 -3.752 9.180 1.00 0.00 H new ATOM 630 N VAL A 51 -5.110 -4.034 7.079 1.00 0.00 N ATOM 631 CA VAL A 51 -4.761 -3.503 5.777 1.00 0.00 C ATOM 632 C VAL A 51 -4.187 -4.611 4.906 1.00 0.00 C ATOM 633 O VAL A 51 -4.688 -4.866 3.812 1.00 0.00 O ATOM 634 CB VAL A 51 -3.752 -2.370 5.944 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.483 -1.031 5.925 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.022 -2.532 7.274 1.00 0.00 C ATOM 0 H VAL A 51 -4.996 -5.044 7.165 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.653 -3.109 5.290 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.031 -2.402 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.763 -0.222 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.005 -0.915 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.204 -0.998 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.301 -1.723 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.743 -2.500 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.500 -3.489 7.288 1.00 0.00 H new ATOM 646 N ILE A 52 -3.135 -5.272 5.394 1.00 0.00 N ATOM 647 CA ILE A 52 -2.500 -6.350 4.662 1.00 0.00 C ATOM 648 C ILE A 52 -2.132 -5.876 3.263 1.00 0.00 C ATOM 649 O ILE A 52 -2.494 -4.770 2.866 1.00 0.00 O ATOM 650 CB ILE A 52 -3.445 -7.546 4.597 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.637 -8.839 4.664 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.230 -7.504 3.289 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.513 -9.959 5.216 1.00 0.00 C ATOM 0 H ILE A 52 -2.709 -5.072 6.299 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.587 -6.654 5.173 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.137 -7.507 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.272 -9.104 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.762 -8.701 5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.905 -8.358 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.808 -6.581 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.538 -7.542 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.936 -10.882 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.856 -9.693 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.374 -10.103 4.563 1.00 0.00 H new ATOM 665 N GLY A 53 -1.411 -6.714 2.515 1.00 0.00 N ATOM 666 CA GLY A 53 -1.002 -6.372 1.168 1.00 0.00 C ATOM 667 C GLY A 53 -2.218 -6.030 0.318 1.00 0.00 C ATOM 668 O GLY A 53 -2.132 -5.206 -0.590 1.00 0.00 O ATOM 0 H GLY A 53 -1.102 -7.634 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.317 -5.525 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.461 -7.206 0.722 1.00 0.00 H new ATOM 672 N ALA A 54 -3.352 -6.668 0.614 1.00 0.00 N ATOM 673 CA ALA A 54 -4.577 -6.431 -0.122 1.00 0.00 C ATOM 674 C ALA A 54 -4.844 -4.935 -0.212 1.00 0.00 C ATOM 675 O ALA A 54 -4.824 -4.363 -1.300 1.00 0.00 O ATOM 676 CB ALA A 54 -5.733 -7.145 0.572 1.00 0.00 C ATOM 0 H ALA A 54 -3.439 -7.354 1.364 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.479 -6.824 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.655 -6.967 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.531 -8.216 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.840 -6.763 1.587 1.00 0.00 H new ATOM 682 N ASP A 55 -5.093 -4.301 0.936 1.00 0.00 N ATOM 683 CA ASP A 55 -5.363 -2.878 0.981 1.00 0.00 C ATOM 684 C ASP A 55 -4.140 -2.107 0.506 1.00 0.00 C ATOM 685 O ASP A 55 -4.253 -1.211 -0.327 1.00 0.00 O ATOM 686 CB ASP A 55 -5.737 -2.476 2.404 1.00 0.00 C ATOM 687 CG ASP A 55 -6.863 -1.453 2.403 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.886 -1.733 3.064 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.681 -0.409 1.739 1.00 0.00 O ATOM 0 H ASP A 55 -5.111 -4.761 1.846 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.197 -2.641 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.043 -3.358 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.865 -2.062 2.910 1.00 0.00 H new ATOM 695 N VAL A 56 -2.967 -2.458 1.039 1.00 0.00 N ATOM 696 CA VAL A 56 -1.731 -1.799 0.668 1.00 0.00 C ATOM 697 C VAL A 56 -1.638 -1.693 -0.847 1.00 0.00 C ATOM 698 O VAL A 56 -1.064 -0.741 -1.370 1.00 0.00 O ATOM 699 CB VAL A 56 -0.548 -2.585 1.228 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.750 -1.854 0.900 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.693 -2.711 2.742 1.00 0.00 C ATOM 0 H VAL A 56 -2.856 -3.199 1.731 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.712 -0.792 1.085 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.527 -3.579 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.595 -2.415 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.854 -1.764 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.731 -0.860 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.151 -3.272 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.714 -1.717 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.620 -3.234 2.976 1.00 0.00 H new ATOM 711 N VAL A 57 -2.207 -2.674 -1.552 1.00 0.00 N ATOM 712 CA VAL A 57 -2.187 -2.685 -3.001 1.00 0.00 C ATOM 713 C VAL A 57 -3.237 -1.724 -3.538 1.00 0.00 C ATOM 714 O VAL A 57 -2.902 -0.721 -4.163 1.00 0.00 O ATOM 715 CB VAL A 57 -2.445 -4.104 -3.501 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.642 -4.082 -5.014 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.251 -4.989 -3.156 1.00 0.00 C ATOM 0 H VAL A 57 -2.687 -3.470 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.210 -2.360 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.341 -4.501 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.826 -5.095 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.495 -3.449 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.746 -3.686 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.434 -6.003 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.355 -4.593 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.110 -5.005 -2.075 1.00 0.00 H new ATOM 727 N ASP A 58 -4.513 -2.033 -3.293 1.00 0.00 N ATOM 728 CA ASP A 58 -5.604 -1.197 -3.753 1.00 0.00 C ATOM 729 C ASP A 58 -5.249 0.269 -3.551 1.00 0.00 C ATOM 730 O ASP A 58 -5.726 1.131 -4.286 1.00 0.00 O ATOM 731 CB ASP A 58 -6.875 -1.556 -2.989 1.00 0.00 C ATOM 732 CG ASP A 58 -7.265 -3.007 -3.235 1.00 0.00 C ATOM 733 OD1 ASP A 58 -6.438 -3.722 -3.841 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.383 -3.373 -2.812 1.00 0.00 O ATOM 0 H ASP A 58 -4.808 -2.861 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.775 -1.366 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.721 -1.392 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.688 -0.899 -3.299 1.00 0.00 H new ATOM 740 N TRP A 59 -4.410 0.552 -2.552 1.00 0.00 N ATOM 741 CA TRP A 59 -3.999 1.911 -2.264 1.00 0.00 C ATOM 742 C TRP A 59 -2.832 2.300 -3.161 1.00 0.00 C ATOM 743 O TRP A 59 -2.868 3.340 -3.815 1.00 0.00 O ATOM 744 CB TRP A 59 -3.612 2.024 -0.793 1.00 0.00 C ATOM 745 CG TRP A 59 -3.427 3.422 -0.296 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.405 4.207 0.208 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.208 4.223 -0.244 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.878 5.429 0.566 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.524 5.494 0.307 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.866 4.006 -0.608 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.564 6.494 0.489 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.104 5.003 -0.429 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.240 6.245 0.117 1.00 0.00 C ATOM 0 H TRP A 59 -4.006 -0.150 -1.932 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.825 2.594 -2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.381 1.539 -0.192 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.686 1.471 -0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.441 3.920 0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.421 6.191 0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.578 3.056 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.842 7.448 0.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.127 4.810 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.514 7.007 0.250 1.00 0.00 H new ATOM 764 N LEU A 60 -1.794 1.461 -3.189 1.00 0.00 N ATOM 765 CA LEU A 60 -0.623 1.719 -4.003 1.00 0.00 C ATOM 766 C LEU A 60 -1.049 2.205 -5.381 1.00 0.00 C ATOM 767 O LEU A 60 -0.432 3.109 -5.941 1.00 0.00 O ATOM 768 CB LEU A 60 0.210 0.446 -4.113 1.00 0.00 C ATOM 769 CG LEU A 60 1.168 0.361 -2.927 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.659 -1.075 -2.772 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.359 1.284 -3.169 1.00 0.00 C ATOM 0 H LEU A 60 -1.749 0.595 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.016 2.496 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.442 -0.427 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.770 0.445 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 60 0.650 0.667 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.343 -1.136 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.808 -1.734 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.177 -1.382 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.044 1.224 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.878 0.978 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.008 2.310 -3.280 1.00 0.00 H new ATOM 783 N TYR A 61 -2.108 1.603 -5.927 1.00 0.00 N ATOM 784 CA TYR A 61 -2.607 1.977 -7.235 1.00 0.00 C ATOM 785 C TYR A 61 -3.534 3.178 -7.110 1.00 0.00 C ATOM 786 O TYR A 61 -3.280 4.224 -7.704 1.00 0.00 O ATOM 787 CB TYR A 61 -3.340 0.791 -7.856 1.00 0.00 C ATOM 788 CG TYR A 61 -4.016 1.119 -9.166 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.254 1.548 -10.259 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.405 0.993 -9.287 1.00 0.00 C ATOM 791 CE1 TYR A 61 -3.881 1.851 -11.473 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.032 1.297 -10.502 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.270 1.726 -11.595 1.00 0.00 C ATOM 794 OH TYR A 61 -5.880 2.021 -12.778 1.00 0.00 O ATOM 0 H TYR A 61 -2.632 0.853 -5.475 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.774 2.252 -7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.631 -0.021 -8.016 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.088 0.427 -7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.182 1.645 -10.166 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.993 0.662 -8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.293 2.182 -12.316 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.104 1.200 -10.596 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.846 1.880 -12.692 1.00 0.00 H new ATOM 804 N THR A 62 -4.610 3.027 -6.335 1.00 0.00 N ATOM 805 CA THR A 62 -5.563 4.100 -6.139 1.00 0.00 C ATOM 806 C THR A 62 -4.833 5.378 -5.750 1.00 0.00 C ATOM 807 O THR A 62 -5.374 6.473 -5.890 1.00 0.00 O ATOM 808 CB THR A 62 -6.564 3.699 -5.058 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.281 2.562 -5.482 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.534 4.850 -4.811 1.00 0.00 C ATOM 0 H THR A 62 -4.836 2.167 -5.836 1.00 0.00 H new ATOM 0 HA THR A 62 -6.103 4.284 -7.068 1.00 0.00 H new ATOM 0 HB THR A 62 -6.031 3.470 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.757 1.756 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.249 4.564 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.979 5.729 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.068 5.080 -5.733 1.00 0.00 H new ATOM 818 N HIS A 63 -3.599 5.237 -5.259 1.00 0.00 N ATOM 819 CA HIS A 63 -2.806 6.380 -4.852 1.00 0.00 C ATOM 820 C HIS A 63 -1.867 6.788 -5.979 1.00 0.00 C ATOM 821 O HIS A 63 -2.036 7.847 -6.578 1.00 0.00 O ATOM 822 CB HIS A 63 -2.020 6.029 -3.593 1.00 0.00 C ATOM 823 CG HIS A 63 -1.798 7.217 -2.697 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.587 7.754 -2.354 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.777 7.959 -2.076 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.826 8.842 -1.509 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -2.160 8.925 -1.372 1.00 0.00 N flip ATOM 0 H HIS A 63 -3.134 4.337 -5.137 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.462 7.222 -4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.554 5.257 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.056 5.608 -3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.843 7.796 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.087 9.486 -1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.641 9.627 -0.809 1.00 0.00 H new ATOM 835 N VAL A 64 -0.874 5.942 -6.265 1.00 0.00 N ATOM 836 CA VAL A 64 0.086 6.217 -7.314 1.00 0.00 C ATOM 837 C VAL A 64 0.025 5.120 -8.368 1.00 0.00 C ATOM 838 O VAL A 64 -0.857 4.265 -8.326 1.00 0.00 O ATOM 839 CB VAL A 64 1.485 6.311 -6.712 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.470 7.287 -5.539 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.920 4.933 -6.221 1.00 0.00 C ATOM 0 H VAL A 64 -0.721 5.059 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.153 7.167 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 64 2.184 6.665 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.469 7.354 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.158 8.271 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.772 6.934 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.919 4.999 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.221 4.580 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.931 4.235 -7.058 1.00 0.00 H new ATOM 851 N GLU A 65 0.965 5.146 -9.315 1.00 0.00 N ATOM 852 CA GLU A 65 1.011 4.154 -10.371 1.00 0.00 C ATOM 853 C GLU A 65 2.440 3.994 -10.871 1.00 0.00 C ATOM 854 O GLU A 65 3.335 4.722 -10.447 1.00 0.00 O ATOM 855 CB GLU A 65 0.085 4.579 -11.507 1.00 0.00 C ATOM 856 CG GLU A 65 0.465 5.979 -11.977 1.00 0.00 C ATOM 857 CD GLU A 65 0.161 6.157 -13.457 1.00 0.00 C ATOM 858 OE1 GLU A 65 -0.928 6.696 -13.752 1.00 0.00 O ATOM 859 OE2 GLU A 65 1.022 5.749 -14.267 1.00 0.00 O ATOM 0 H GLU A 65 1.703 5.848 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 65 0.674 3.192 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.160 3.873 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.951 4.566 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.082 6.722 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.526 6.152 -11.796 1.00 0.00 H new ATOM 867 N GLY A 66 2.653 3.037 -11.777 1.00 0.00 N ATOM 868 CA GLY A 66 3.971 2.790 -12.328 1.00 0.00 C ATOM 869 C GLY A 66 4.149 1.308 -12.628 1.00 0.00 C ATOM 870 O GLY A 66 5.027 0.929 -13.399 1.00 0.00 O ATOM 0 H GLY A 66 1.923 2.424 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.106 3.371 -13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.735 3.120 -11.624 1.00 0.00 H new ATOM 874 N PHE A 67 3.310 0.469 -12.015 1.00 0.00 N ATOM 875 CA PHE A 67 3.380 -0.964 -12.220 1.00 0.00 C ATOM 876 C PHE A 67 2.647 -1.339 -13.500 1.00 0.00 C ATOM 877 O PHE A 67 1.642 -0.722 -13.846 1.00 0.00 O ATOM 878 CB PHE A 67 2.769 -1.679 -11.018 1.00 0.00 C ATOM 879 CG PHE A 67 3.399 -1.290 -9.702 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.776 -1.455 -9.509 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.607 -0.768 -8.673 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.361 -1.097 -8.288 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.191 -0.410 -7.452 1.00 0.00 C ATOM 884 CZ PHE A 67 4.568 -0.575 -7.260 1.00 0.00 C ATOM 0 H PHE A 67 2.576 0.767 -11.373 1.00 0.00 H new ATOM 0 HA PHE A 67 4.421 -1.271 -12.318 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.702 -1.461 -10.979 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.870 -2.756 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.387 -1.859 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.545 -0.641 -8.821 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.423 -1.224 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.579 -0.007 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.018 -0.299 -6.318 1.00 0.00 H new ATOM 894 N LYS A 68 3.154 -2.354 -14.205 1.00 0.00 N ATOM 895 CA LYS A 68 2.545 -2.803 -15.441 1.00 0.00 C ATOM 896 C LYS A 68 1.038 -2.922 -15.263 1.00 0.00 C ATOM 897 O LYS A 68 0.273 -2.283 -15.981 1.00 0.00 O ATOM 898 CB LYS A 68 3.149 -4.145 -15.845 1.00 0.00 C ATOM 899 CG LYS A 68 2.242 -4.822 -16.869 1.00 0.00 C ATOM 900 CD LYS A 68 1.638 -6.084 -16.259 1.00 0.00 C ATOM 901 CE LYS A 68 0.765 -6.783 -17.297 1.00 0.00 C ATOM 902 NZ LYS A 68 1.460 -7.942 -17.878 1.00 0.00 N ATOM 0 H LYS A 68 3.987 -2.876 -13.933 1.00 0.00 H new ATOM 0 HA LYS A 68 2.740 -2.077 -16.231 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.144 -3.997 -16.266 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.265 -4.782 -14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.450 -4.139 -17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.811 -5.074 -17.764 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.430 -6.754 -15.924 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.044 -5.828 -15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.167 -7.108 -16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.500 -6.080 -18.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.845 -8.399 -18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.337 -7.626 -18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.691 -8.622 -17.125 1.00 0.00 H new ATOM 916 N GLU A 69 0.612 -3.745 -14.301 1.00 0.00 N ATOM 917 CA GLU A 69 -0.799 -3.940 -14.036 1.00 0.00 C ATOM 918 C GLU A 69 -0.988 -4.565 -12.660 1.00 0.00 C ATOM 919 O GLU A 69 -0.044 -4.642 -11.876 1.00 0.00 O ATOM 920 CB GLU A 69 -1.401 -4.829 -15.120 1.00 0.00 C ATOM 921 CG GLU A 69 -2.857 -4.437 -15.350 1.00 0.00 C ATOM 922 CD GLU A 69 -3.779 -5.633 -15.158 1.00 0.00 C ATOM 923 OE1 GLU A 69 -4.335 -6.091 -16.179 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.911 -6.066 -13.993 1.00 0.00 O ATOM 0 H GLU A 69 1.232 -4.284 -13.697 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.310 -2.977 -14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.835 -4.725 -16.046 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.338 -5.876 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.137 -3.642 -14.659 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.976 -4.039 -16.358 1.00 0.00 H new ATOM 932 N ARG A 70 -2.212 -5.011 -12.369 1.00 0.00 N ATOM 933 CA ARG A 70 -2.518 -5.625 -11.093 1.00 0.00 C ATOM 934 C ARG A 70 -1.416 -6.603 -10.713 1.00 0.00 C ATOM 935 O ARG A 70 -1.149 -6.813 -9.532 1.00 0.00 O ATOM 936 CB ARG A 70 -3.865 -6.337 -11.183 1.00 0.00 C ATOM 937 CG ARG A 70 -4.266 -6.842 -9.800 1.00 0.00 C ATOM 938 CD ARG A 70 -4.824 -8.258 -9.918 1.00 0.00 C ATOM 939 NE ARG A 70 -6.185 -8.333 -9.387 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.006 -9.362 -9.636 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.589 -10.382 -10.399 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.243 -9.372 -9.122 1.00 0.00 N ATOM 0 H ARG A 70 -3.005 -4.954 -13.009 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.577 -4.858 -10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.624 -5.655 -11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.802 -7.171 -11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.403 -6.834 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.013 -6.180 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.820 -8.568 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.181 -8.952 -9.377 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.523 -7.569 -8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.647 -10.375 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.214 -11.166 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.560 -8.596 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.868 -10.156 -9.312 1.00 0.00 H new ATOM 956 N ARG A 71 -0.775 -7.202 -11.719 1.00 0.00 N ATOM 957 CA ARG A 71 0.293 -8.154 -11.487 1.00 0.00 C ATOM 958 C ARG A 71 1.454 -7.465 -10.785 1.00 0.00 C ATOM 959 O ARG A 71 1.673 -7.671 -9.594 1.00 0.00 O ATOM 960 CB ARG A 71 0.741 -8.749 -12.818 1.00 0.00 C ATOM 961 CG ARG A 71 0.710 -10.272 -12.732 1.00 0.00 C ATOM 962 CD ARG A 71 0.497 -10.856 -14.126 1.00 0.00 C ATOM 963 NE ARG A 71 0.246 -12.296 -14.059 1.00 0.00 N ATOM 964 CZ ARG A 71 1.201 -13.187 -13.760 1.00 0.00 C ATOM 965 NH1 ARG A 71 2.449 -12.770 -13.507 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.909 -14.494 -13.716 1.00 0.00 N ATOM 0 H ARG A 71 -0.984 -7.038 -12.704 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.065 -8.960 -10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.087 -8.406 -13.620 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.748 -8.408 -13.060 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.644 -10.642 -12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.090 -10.593 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.345 -10.359 -14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.375 -10.665 -14.742 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.697 -12.636 -14.248 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.671 -11.775 -13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.177 -13.447 -13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.041 -14.811 -13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.637 -15.172 -13.488 1.00 0.00 H new ATOM 980 N GLU A 72 2.200 -6.643 -11.528 1.00 0.00 N ATOM 981 CA GLU A 72 3.332 -5.930 -10.971 1.00 0.00 C ATOM 982 C GLU A 72 2.965 -5.353 -9.611 1.00 0.00 C ATOM 983 O GLU A 72 3.772 -5.378 -8.685 1.00 0.00 O ATOM 984 CB GLU A 72 3.755 -4.822 -11.931 1.00 0.00 C ATOM 985 CG GLU A 72 4.840 -5.347 -12.868 1.00 0.00 C ATOM 986 CD GLU A 72 5.803 -4.236 -13.259 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.976 -4.326 -12.836 1.00 0.00 O ATOM 988 OE2 GLU A 72 5.349 -3.317 -13.975 1.00 0.00 O ATOM 0 H GLU A 72 2.033 -6.461 -12.518 1.00 0.00 H new ATOM 0 HA GLU A 72 4.167 -6.617 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.896 -4.479 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.127 -3.964 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.388 -6.154 -12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.381 -5.768 -13.763 1.00 0.00 H new ATOM 996 N ALA A 73 1.741 -4.834 -9.493 1.00 0.00 N ATOM 997 CA ALA A 73 1.273 -4.255 -8.250 1.00 0.00 C ATOM 998 C ALA A 73 1.401 -5.273 -7.126 1.00 0.00 C ATOM 999 O ALA A 73 2.001 -4.987 -6.092 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.177 -3.808 -8.412 1.00 0.00 C ATOM 0 H ALA A 73 1.060 -4.807 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 73 1.881 -3.386 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.530 -3.372 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.242 -3.064 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.796 -4.668 -8.668 1.00 0.00 H new ATOM 1006 N ARG A 74 0.836 -6.465 -7.330 1.00 0.00 N ATOM 1007 CA ARG A 74 0.888 -7.517 -6.336 1.00 0.00 C ATOM 1008 C ARG A 74 2.336 -7.910 -6.076 1.00 0.00 C ATOM 1009 O ARG A 74 2.673 -8.359 -4.983 1.00 0.00 O ATOM 1010 CB ARG A 74 0.082 -8.718 -6.824 1.00 0.00 C ATOM 1011 CG ARG A 74 0.097 -9.808 -5.757 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.209 -10.596 -5.816 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.980 -12.013 -5.532 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.354 -12.833 -6.387 1.00 0.00 C ATOM 1015 NH1 ARG A 74 0.093 -12.364 -7.559 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.176 -14.123 -6.070 1.00 0.00 N ATOM 0 H ARG A 74 0.337 -6.718 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 74 0.455 -7.161 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.944 -8.418 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.504 -9.099 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.944 -10.475 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.222 -9.364 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.917 -10.187 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.659 -10.487 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.311 -12.393 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.043 -11.382 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.570 -12.988 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.517 -14.481 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.301 -14.747 -6.721 1.00 0.00 H new ATOM 1030 N LYS A 75 3.193 -7.738 -7.085 1.00 0.00 N ATOM 1031 CA LYS A 75 4.597 -8.075 -6.959 1.00 0.00 C ATOM 1032 C LYS A 75 5.271 -7.125 -5.979 1.00 0.00 C ATOM 1033 O LYS A 75 6.087 -7.548 -5.163 1.00 0.00 O ATOM 1034 CB LYS A 75 5.263 -7.998 -8.330 1.00 0.00 C ATOM 1035 CG LYS A 75 6.779 -8.050 -8.163 1.00 0.00 C ATOM 1036 CD LYS A 75 7.184 -9.416 -7.618 1.00 0.00 C ATOM 1037 CE LYS A 75 7.646 -10.306 -8.769 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.894 -11.006 -8.427 1.00 0.00 N ATOM 0 H LYS A 75 2.930 -7.366 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 75 4.697 -9.091 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.927 -8.824 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.974 -7.077 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.267 -7.869 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.108 -7.263 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.984 -9.305 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.342 -9.878 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.870 -11.034 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.798 -9.701 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.187 -11.604 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.639 -10.309 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.740 -11.600 -7.588 1.00 0.00 H new ATOM 1052 N TYR A 76 4.927 -5.838 -6.060 1.00 0.00 N ATOM 1053 CA TYR A 76 5.502 -4.838 -5.183 1.00 0.00 C ATOM 1054 C TYR A 76 5.059 -5.094 -3.749 1.00 0.00 C ATOM 1055 O TYR A 76 5.888 -5.177 -2.846 1.00 0.00 O ATOM 1056 CB TYR A 76 5.068 -3.450 -5.644 1.00 0.00 C ATOM 1057 CG TYR A 76 5.796 -2.327 -4.943 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.025 -1.874 -5.437 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.241 -1.740 -3.799 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.699 -0.833 -4.787 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.916 -0.699 -3.150 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.145 -0.246 -3.644 1.00 0.00 C ATOM 1063 OH TYR A 76 7.802 0.769 -3.011 1.00 0.00 O ATOM 0 H TYR A 76 4.250 -5.471 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 76 6.590 -4.896 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.233 -3.365 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.997 -3.339 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.453 -2.327 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.293 -2.090 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.647 -0.483 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.488 -0.245 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 76 8.755 0.732 -3.235 1.00 0.00 H new ATOM 1073 N ALA A 77 3.746 -5.217 -3.542 1.00 0.00 N ATOM 1074 CA ALA A 77 3.200 -5.461 -2.222 1.00 0.00 C ATOM 1075 C ALA A 77 3.890 -6.662 -1.592 1.00 0.00 C ATOM 1076 O ALA A 77 4.376 -6.581 -0.466 1.00 0.00 O ATOM 1077 CB ALA A 77 1.696 -5.697 -2.330 1.00 0.00 C ATOM 0 H ALA A 77 3.046 -5.150 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 77 3.374 -4.593 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.284 -5.881 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.220 -4.817 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.508 -6.562 -2.966 1.00 0.00 H new ATOM 1083 N SER A 78 3.932 -7.779 -2.322 1.00 0.00 N ATOM 1084 CA SER A 78 4.563 -8.988 -1.832 1.00 0.00 C ATOM 1085 C SER A 78 5.965 -8.673 -1.331 1.00 0.00 C ATOM 1086 O SER A 78 6.383 -9.177 -0.291 1.00 0.00 O ATOM 1087 CB SER A 78 4.608 -10.027 -2.949 1.00 0.00 C ATOM 1088 OG SER A 78 5.055 -9.416 -4.139 1.00 0.00 O ATOM 0 H SER A 78 3.533 -7.863 -3.257 1.00 0.00 H new ATOM 0 HA SER A 78 3.985 -9.392 -1.001 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.275 -10.844 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.619 -10.459 -3.099 1.00 0.00 H new ATOM 0 HG SER A 78 5.390 -8.517 -3.939 1.00 0.00 H new ATOM 1094 N SER A 79 6.692 -7.835 -2.074 1.00 0.00 N ATOM 1095 CA SER A 79 8.039 -7.456 -1.701 1.00 0.00 C ATOM 1096 C SER A 79 8.016 -6.695 -0.383 1.00 0.00 C ATOM 1097 O SER A 79 8.928 -6.830 0.431 1.00 0.00 O ATOM 1098 CB SER A 79 8.652 -6.602 -2.808 1.00 0.00 C ATOM 1099 OG SER A 79 8.686 -7.343 -4.007 1.00 0.00 O ATOM 0 H SER A 79 6.360 -7.409 -2.940 1.00 0.00 H new ATOM 0 HA SER A 79 8.648 -8.350 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.068 -5.692 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.660 -6.294 -2.529 1.00 0.00 H new ATOM 0 HG SER A 79 7.782 -7.400 -4.382 1.00 0.00 H new ATOM 1105 N MET A 80 6.969 -5.894 -0.172 1.00 0.00 N ATOM 1106 CA MET A 80 6.836 -5.118 1.044 1.00 0.00 C ATOM 1107 C MET A 80 6.516 -6.038 2.214 1.00 0.00 C ATOM 1108 O MET A 80 6.945 -5.790 3.338 1.00 0.00 O ATOM 1109 CB MET A 80 5.737 -4.074 0.862 1.00 0.00 C ATOM 1110 CG MET A 80 6.331 -2.678 1.022 1.00 0.00 C ATOM 1111 SD MET A 80 5.093 -1.364 1.155 1.00 0.00 S ATOM 1112 CE MET A 80 4.118 -2.022 2.530 1.00 0.00 C ATOM 0 H MET A 80 6.204 -5.772 -0.835 1.00 0.00 H new ATOM 0 HA MET A 80 7.775 -4.607 1.257 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.282 -4.177 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.946 -4.231 1.596 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.961 -2.662 1.912 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.978 -2.469 0.170 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.378 -1.283 2.838 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.611 -2.933 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.777 -2.246 3.369 1.00 0.00 H new ATOM 1122 N LEU A 81 5.759 -7.105 1.945 1.00 0.00 N ATOM 1123 CA LEU A 81 5.386 -8.056 2.973 1.00 0.00 C ATOM 1124 C LEU A 81 6.631 -8.733 3.528 1.00 0.00 C ATOM 1125 O LEU A 81 6.794 -8.840 4.741 1.00 0.00 O ATOM 1126 CB LEU A 81 4.427 -9.088 2.386 1.00 0.00 C ATOM 1127 CG LEU A 81 3.857 -9.949 3.509 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.000 -10.516 4.346 1.00 0.00 C ATOM 1129 CD2 LEU A 81 2.952 -9.097 4.395 1.00 0.00 C ATOM 0 H LEU A 81 5.396 -7.325 1.018 1.00 0.00 H new ATOM 0 HA LEU A 81 4.885 -7.536 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.620 -8.587 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.948 -9.714 1.662 1.00 0.00 H new ATOM 0 HG LEU A 81 3.279 -10.768 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.593 -11.131 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.646 -11.125 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.578 -9.697 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.545 -9.712 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.529 -8.278 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.135 -8.692 3.798 1.00 0.00 H new ATOM 1141 N LYS A 82 7.513 -9.189 2.635 1.00 0.00 N ATOM 1142 CA LYS A 82 8.736 -9.851 3.040 1.00 0.00 C ATOM 1143 C LYS A 82 9.690 -8.841 3.663 1.00 0.00 C ATOM 1144 O LYS A 82 10.338 -9.132 4.666 1.00 0.00 O ATOM 1145 CB LYS A 82 9.376 -10.522 1.828 1.00 0.00 C ATOM 1146 CG LYS A 82 8.947 -11.985 1.772 1.00 0.00 C ATOM 1147 CD LYS A 82 7.428 -12.066 1.656 1.00 0.00 C ATOM 1148 CE LYS A 82 6.927 -13.304 2.395 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.002 -14.497 1.538 1.00 0.00 N ATOM 0 H LYS A 82 7.394 -9.107 1.625 1.00 0.00 H new ATOM 0 HA LYS A 82 8.510 -10.614 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.076 -10.009 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.462 -10.452 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.414 -12.480 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.282 -12.508 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.972 -11.169 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.135 -12.112 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.522 -13.460 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.897 -13.148 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.656 -15.325 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.415 -14.354 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.989 -14.657 1.251 1.00 0.00 H new ATOM 1163 N HIS A 83 9.775 -7.650 3.066 1.00 0.00 N ATOM 1164 CA HIS A 83 10.650 -6.608 3.565 1.00 0.00 C ATOM 1165 C HIS A 83 10.574 -6.550 5.085 1.00 0.00 C ATOM 1166 O HIS A 83 11.537 -6.160 5.742 1.00 0.00 O ATOM 1167 CB HIS A 83 10.247 -5.270 2.953 1.00 0.00 C ATOM 1168 CG HIS A 83 11.419 -4.509 2.398 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.934 -3.334 2.898 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.165 -4.859 1.306 1.00 0.00 C ATOM 1171 CE1 HIS A 83 12.973 -2.988 2.116 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.153 -3.886 1.133 1.00 0.00 N ATOM 0 H HIS A 83 9.244 -7.391 2.235 1.00 0.00 H new ATOM 0 HA HIS A 83 11.679 -6.828 3.282 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.522 -5.443 2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.751 -4.663 3.711 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.592 -2.821 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.017 -5.732 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.581 -2.107 2.259 1.00 0.00 H new ATOM 1180 N GLY A 84 9.426 -6.940 5.643 1.00 0.00 N ATOM 1181 CA GLY A 84 9.236 -6.929 7.080 1.00 0.00 C ATOM 1182 C GLY A 84 8.393 -5.730 7.491 1.00 0.00 C ATOM 1183 O GLY A 84 8.260 -5.439 8.677 1.00 0.00 O ATOM 0 H GLY A 84 8.618 -7.266 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.748 -7.851 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.203 -6.892 7.582 1.00 0.00 H new ATOM 1187 N PHE A 85 7.822 -5.034 6.505 1.00 0.00 N ATOM 1188 CA PHE A 85 6.996 -3.873 6.770 1.00 0.00 C ATOM 1189 C PHE A 85 5.548 -4.302 6.964 1.00 0.00 C ATOM 1190 O PHE A 85 4.653 -3.462 7.025 1.00 0.00 O ATOM 1191 CB PHE A 85 7.118 -2.888 5.610 1.00 0.00 C ATOM 1192 CG PHE A 85 8.299 -1.955 5.734 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.500 -1.234 6.917 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.191 -1.809 4.665 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.593 -0.367 7.031 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.285 -0.942 4.780 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.486 -0.221 5.962 1.00 0.00 C ATOM 0 H PHE A 85 7.922 -5.262 5.516 1.00 0.00 H new ATOM 0 HA PHE A 85 7.333 -3.383 7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.202 -3.446 4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.204 -2.298 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.812 -1.347 7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.036 -2.365 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.748 0.190 7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.974 -0.830 3.956 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.329 0.448 6.050 1.00 0.00 H new ATOM 1207 N LEU A 86 5.320 -5.614 7.060 1.00 0.00 N ATOM 1208 CA LEU A 86 3.986 -6.147 7.247 1.00 0.00 C ATOM 1209 C LEU A 86 4.063 -7.510 7.919 1.00 0.00 C ATOM 1210 O LEU A 86 4.777 -8.395 7.452 1.00 0.00 O ATOM 1211 CB LEU A 86 3.286 -6.249 5.895 1.00 0.00 C ATOM 1212 CG LEU A 86 2.417 -5.014 5.677 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.132 -4.849 4.187 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.101 -5.178 6.432 1.00 0.00 C ATOM 0 H LEU A 86 6.052 -6.323 7.010 1.00 0.00 H new ATOM 0 HA LEU A 86 3.411 -5.480 7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.024 -6.333 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.673 -7.149 5.858 1.00 0.00 H new ATOM 0 HG LEU A 86 2.940 -4.132 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.511 -3.967 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.072 -4.731 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.609 -5.731 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.480 -4.296 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.577 -6.060 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.304 -5.295 7.496 1.00 0.00 H new ATOM 1226 N ARG A 87 3.324 -7.678 9.018 1.00 0.00 N ATOM 1227 CA ARG A 87 3.313 -8.930 9.748 1.00 0.00 C ATOM 1228 C ARG A 87 1.879 -9.328 10.067 1.00 0.00 C ATOM 1229 O ARG A 87 1.025 -8.468 10.274 1.00 0.00 O ATOM 1230 CB ARG A 87 4.129 -8.778 11.028 1.00 0.00 C ATOM 1231 CG ARG A 87 5.573 -9.193 10.764 1.00 0.00 C ATOM 1232 CD ARG A 87 6.504 -8.418 11.692 1.00 0.00 C ATOM 1233 NE ARG A 87 7.665 -9.226 12.066 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.804 -8.691 12.526 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.913 -7.362 12.660 1.00 0.00 N ATOM 1236 NH2 ARG A 87 9.834 -9.484 12.851 1.00 0.00 N ATOM 0 H ARG A 87 2.726 -6.954 9.416 1.00 0.00 H new ATOM 0 HA ARG A 87 3.760 -9.715 9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.094 -7.745 11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.702 -9.394 11.820 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.690 -10.264 10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.834 -8.998 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.836 -7.504 11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.962 -8.118 12.589 1.00 0.00 H new ATOM 0 HE ARG A 87 7.605 -10.240 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.129 -6.758 12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.780 -6.954 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.751 -10.495 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.701 -9.076 13.201 1.00 0.00 H new ATOM 1250 N HIS A 88 1.614 -10.636 10.106 1.00 0.00 N ATOM 1251 CA HIS A 88 0.285 -11.135 10.398 1.00 0.00 C ATOM 1252 C HIS A 88 0.283 -11.855 11.739 1.00 0.00 C ATOM 1253 O HIS A 88 0.466 -11.230 12.782 1.00 0.00 O ATOM 1254 CB HIS A 88 -0.161 -12.074 9.281 1.00 0.00 C ATOM 1255 CG HIS A 88 -1.554 -12.601 9.487 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -2.669 -11.853 9.754 1.00 0.00 N flip ATOM 1257 CD2 HIS A 88 -1.937 -13.922 9.440 1.00 0.00 C flip ATOM 1258 CE1 HIS A 88 -3.752 -12.728 9.874 1.00 0.00 C flip ATOM 1259 NE2 HIS A 88 -3.261 -13.963 9.676 1.00 0.00 N flip ATOM 0 H HIS A 88 2.309 -11.363 9.938 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.414 -10.301 10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.114 -11.547 8.328 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.534 -12.911 9.217 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -2.703 -10.838 9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.294 -14.769 9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.778 -12.464 10.084 1.00 0.00 H new ATOM 1267 N THR A 89 0.074 -13.173 11.712 1.00 0.00 N ATOM 1268 CA THR A 89 0.051 -13.966 12.924 1.00 0.00 C ATOM 1269 C THR A 89 0.976 -15.166 12.777 1.00 0.00 C ATOM 1270 O THR A 89 1.057 -16.004 13.673 1.00 0.00 O ATOM 1271 CB THR A 89 -1.379 -14.417 13.209 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.757 -15.398 12.270 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.320 -13.221 13.102 1.00 0.00 C ATOM 0 H THR A 89 -0.081 -13.707 10.857 1.00 0.00 H new ATOM 0 HA THR A 89 0.403 -13.364 13.762 1.00 0.00 H new ATOM 0 HB THR A 89 -1.436 -14.835 14.214 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.675 -15.689 12.453 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.341 -13.542 13.305 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.027 -12.462 13.827 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.265 -12.803 12.097 1.00 0.00 H new ATOM 1281 N VAL A 90 1.674 -15.246 11.643 1.00 0.00 N ATOM 1282 CA VAL A 90 2.588 -16.340 11.383 1.00 0.00 C ATOM 1283 C VAL A 90 3.971 -15.994 11.918 1.00 0.00 C ATOM 1284 O VAL A 90 4.435 -14.867 11.759 1.00 0.00 O ATOM 1285 CB VAL A 90 2.642 -16.612 9.883 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.257 -16.402 9.278 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.634 -15.656 9.227 1.00 0.00 C ATOM 0 H VAL A 90 1.617 -14.559 10.892 1.00 0.00 H new ATOM 0 HA VAL A 90 2.238 -17.239 11.889 1.00 0.00 H new ATOM 0 HB VAL A 90 2.962 -17.640 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.295 -16.596 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.548 -17.085 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.937 -15.374 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.672 -15.851 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.316 -14.628 9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.624 -15.806 9.659 1.00 0.00 H new ATOM 1297 N ASN A 91 4.628 -16.967 12.554 1.00 0.00 N ATOM 1298 CA ASN A 91 5.951 -16.758 13.106 1.00 0.00 C ATOM 1299 C ASN A 91 6.769 -15.875 12.175 1.00 0.00 C ATOM 1300 O ASN A 91 7.163 -14.772 12.547 1.00 0.00 O ATOM 1301 CB ASN A 91 6.634 -18.108 13.309 1.00 0.00 C ATOM 1302 CG ASN A 91 6.979 -18.327 14.775 1.00 0.00 C ATOM 1303 OD1 ASN A 91 6.277 -17.841 15.659 1.00 0.00 O ATOM 1304 ND2 ASN A 91 8.063 -19.064 15.032 1.00 0.00 N ATOM 0 H ASN A 91 4.257 -17.906 12.695 1.00 0.00 H new ATOM 0 HA ASN A 91 5.871 -16.255 14.070 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.979 -18.907 12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.541 -18.155 12.707 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.340 -19.245 15.997 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.614 -19.446 14.263 1.00 0.00 H new ATOM 1311 N LYS A 92 7.025 -16.363 10.958 1.00 0.00 N ATOM 1312 CA LYS A 92 7.793 -15.617 9.982 1.00 0.00 C ATOM 1313 C LYS A 92 6.976 -14.438 9.472 1.00 0.00 C ATOM 1314 O LYS A 92 7.032 -13.349 10.040 1.00 0.00 O ATOM 1315 CB LYS A 92 8.186 -16.540 8.832 1.00 0.00 C ATOM 1316 CG LYS A 92 9.169 -17.592 9.338 1.00 0.00 C ATOM 1317 CD LYS A 92 10.594 -17.064 9.202 1.00 0.00 C ATOM 1318 CE LYS A 92 11.105 -16.620 10.569 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.574 -16.551 10.587 1.00 0.00 N ATOM 0 H LYS A 92 6.706 -17.276 10.633 1.00 0.00 H new ATOM 0 HA LYS A 92 8.700 -15.230 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.300 -17.023 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.638 -15.962 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.957 -17.832 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.056 -18.515 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.243 -17.839 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.618 -16.227 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.689 -15.644 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.761 -17.317 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.896 -16.247 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.968 -17.489 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.898 -15.868 9.873 1.00 0.00 H new ATOM 1333 N ILE A 93 6.216 -14.658 8.397 1.00 0.00 N ATOM 1334 CA ILE A 93 5.391 -13.617 7.816 1.00 0.00 C ATOM 1335 C ILE A 93 4.510 -14.209 6.725 1.00 0.00 C ATOM 1336 O ILE A 93 3.290 -14.253 6.867 1.00 0.00 O ATOM 1337 CB ILE A 93 6.285 -12.516 7.253 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.639 -13.105 6.869 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.483 -11.432 8.309 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.230 -12.307 5.710 1.00 0.00 C ATOM 0 H ILE A 93 6.160 -15.555 7.915 1.00 0.00 H new ATOM 0 HA ILE A 93 4.747 -13.186 8.582 1.00 0.00 H new ATOM 0 HB ILE A 93 5.815 -12.083 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.314 -13.079 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.525 -14.151 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.122 -10.645 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.516 -11.010 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.953 -11.866 9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.197 -12.727 5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.557 -12.356 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.358 -11.268 6.012 1.00 0.00 H new ATOM 1352 N THR A 94 5.129 -14.664 5.634 1.00 0.00 N ATOM 1353 CA THR A 94 4.396 -15.249 4.530 1.00 0.00 C ATOM 1354 C THR A 94 3.319 -14.284 4.054 1.00 0.00 C ATOM 1355 O THR A 94 2.400 -13.956 4.802 1.00 0.00 O ATOM 1356 CB THR A 94 3.778 -16.571 4.975 1.00 0.00 C ATOM 1357 OG1 THR A 94 2.654 -16.315 5.786 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.807 -17.371 5.769 1.00 0.00 C ATOM 0 H THR A 94 6.140 -14.635 5.499 1.00 0.00 H new ATOM 0 HA THR A 94 5.076 -15.441 3.700 1.00 0.00 H new ATOM 0 HB THR A 94 3.471 -17.142 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.548 -15.348 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.366 -18.316 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.676 -17.569 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.114 -16.800 6.645 1.00 0.00 H new ATOM 1366 N PHE A 95 3.433 -13.830 2.804 1.00 0.00 N ATOM 1367 CA PHE A 95 2.470 -12.907 2.236 1.00 0.00 C ATOM 1368 C PHE A 95 1.332 -13.683 1.589 1.00 0.00 C ATOM 1369 O PHE A 95 1.507 -14.833 1.194 1.00 0.00 O ATOM 1370 CB PHE A 95 3.166 -12.013 1.214 1.00 0.00 C ATOM 1371 CG PHE A 95 2.252 -10.982 0.594 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.308 -10.317 1.386 1.00 0.00 C ATOM 1373 CD2 PHE A 95 2.352 -10.690 -0.771 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.463 -9.360 0.811 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.507 -9.733 -1.346 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.562 -9.068 -0.555 1.00 0.00 C ATOM 0 H PHE A 95 4.188 -14.092 2.170 1.00 0.00 H new ATOM 0 HA PHE A 95 2.053 -12.279 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.000 -11.504 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.586 -12.636 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.232 -10.542 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.081 -11.203 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.265 -8.847 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.584 -9.508 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.090 -8.330 -0.998 1.00 0.00 H new ATOM 1386 N SER A 96 0.161 -13.049 1.480 1.00 0.00 N ATOM 1387 CA SER A 96 -0.996 -13.682 0.881 1.00 0.00 C ATOM 1388 C SER A 96 -1.777 -12.662 0.064 1.00 0.00 C ATOM 1389 O SER A 96 -1.895 -12.797 -1.152 1.00 0.00 O ATOM 1390 CB SER A 96 -1.873 -14.280 1.978 1.00 0.00 C ATOM 1391 OG SER A 96 -1.486 -15.616 2.211 1.00 0.00 O ATOM 0 H SER A 96 -0.001 -12.095 1.803 1.00 0.00 H new ATOM 0 HA SER A 96 -0.673 -14.482 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.777 -13.697 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.922 -14.240 1.683 1.00 0.00 H new ATOM 0 HG SER A 96 -0.549 -15.736 1.949 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.310 -11.638 0.734 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.072 -10.603 0.065 1.00 0.00 C ATOM 1399 C GLU A 97 -4.523 -11.041 -0.084 1.00 0.00 C ATOM 1400 O GLU A 97 -5.043 -11.108 -1.195 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.451 -10.317 -1.299 1.00 0.00 C ATOM 1402 CG GLU A 97 -2.846 -8.916 -1.754 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.443 -8.947 -3.154 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -3.885 -10.045 -3.558 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.446 -7.874 -3.794 1.00 0.00 O ATOM 0 H GLU A 97 -2.223 -11.511 1.742 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.050 -9.690 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.366 -10.400 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.788 -11.056 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.568 -8.493 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.972 -8.265 -1.742 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.176 -11.338 1.042 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.560 -11.767 1.031 1.00 0.00 C ATOM 1415 C GLN A 98 -7.178 -11.553 2.406 1.00 0.00 C ATOM 1416 O GLN A 98 -8.299 -11.060 2.515 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.632 -13.237 0.630 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.414 -13.371 -0.674 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.810 -13.920 -0.416 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -9.095 -14.409 0.675 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.681 -13.838 -1.424 1.00 0.00 N ATOM 0 H GLN A 98 -4.759 -11.286 1.972 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.122 -11.177 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.627 -13.641 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -7.115 -13.816 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.486 -12.399 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.880 -14.031 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.397 -13.423 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.631 -14.190 -1.307 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.442 -11.924 3.456 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.914 -11.772 4.818 1.00 0.00 C ATOM 1432 C CYS A 99 -6.651 -10.351 5.293 1.00 0.00 C ATOM 1433 O CYS A 99 -6.721 -9.410 4.506 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.209 -12.785 5.716 1.00 0.00 C ATOM 1435 SG CYS A 99 -7.352 -13.298 7.022 1.00 0.00 S ATOM 0 H CYS A 99 -5.511 -12.334 3.379 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.987 -11.957 4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.890 -13.649 5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.312 -12.344 6.151 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.974 -12.256 7.489 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.347 -10.196 6.584 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.077 -8.891 7.153 1.00 0.00 C ATOM 1443 C TYR A 100 -4.810 -8.946 7.994 1.00 0.00 C ATOM 1444 O TYR A 100 -4.713 -9.744 8.923 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.269 -8.450 7.998 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.925 -9.583 8.751 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.903 -10.365 8.125 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.555 -9.851 10.075 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.511 -11.416 8.823 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.164 -10.902 10.772 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.141 -11.684 10.146 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.734 -12.708 10.826 1.00 0.00 O ATOM 0 H TYR A 100 -6.284 -10.966 7.250 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.926 -8.165 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.939 -7.694 8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.008 -7.978 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.189 -10.158 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.801 -9.248 10.558 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.265 -12.020 8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.879 -11.109 11.793 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.362 -12.758 11.731 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.836 -8.094 7.665 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.582 -8.052 8.390 1.00 0.00 C ATOM 1464 C TYR A 101 -2.422 -6.699 9.068 1.00 0.00 C ATOM 1465 O TYR A 101 -3.347 -5.889 9.068 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.429 -8.314 7.425 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.151 -9.781 7.201 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.169 -10.723 7.393 1.00 0.00 C ATOM 1469 CD2 TYR A 101 0.123 -10.199 6.801 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.911 -12.083 7.184 1.00 0.00 C ATOM 1471 CE2 TYR A 101 0.381 -11.559 6.592 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.637 -12.501 6.784 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.386 -13.827 6.581 1.00 0.00 O ATOM 0 H TYR A 101 -3.901 -7.425 6.897 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.577 -8.823 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.654 -7.845 6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.528 -7.836 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.152 -10.401 7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.908 -9.472 6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.696 -12.810 7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.364 -11.881 6.283 1.00 0.00 H new ATOM 0 HH TYR A 101 0.445 -13.928 6.071 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.244 -6.455 9.647 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.968 -5.204 10.324 1.00 0.00 C ATOM 1485 C VAL A 102 0.500 -4.840 10.155 1.00 0.00 C ATOM 1486 O VAL A 102 1.379 -5.655 10.424 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.326 -5.337 11.801 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.080 -5.104 12.650 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.388 -4.302 12.162 1.00 0.00 C ATOM 0 H VAL A 102 -0.468 -7.117 9.656 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.572 -4.408 9.888 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.714 -6.338 11.992 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.336 -5.199 13.705 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.679 -5.843 12.393 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.308 -4.103 12.459 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.644 -4.396 13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.001 -3.301 11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.279 -4.468 11.556 1.00 0.00 H new ATOM 1499 N PHE A 103 0.764 -3.610 9.708 1.00 0.00 N ATOM 1500 CA PHE A 103 2.122 -3.147 9.507 1.00 0.00 C ATOM 1501 C PHE A 103 3.017 -3.672 10.621 1.00 0.00 C ATOM 1502 O PHE A 103 2.528 -4.085 11.671 1.00 0.00 O ATOM 1503 CB PHE A 103 2.138 -1.621 9.474 1.00 0.00 C ATOM 1504 CG PHE A 103 1.567 -0.985 10.718 1.00 0.00 C ATOM 1505 CD1 PHE A 103 0.184 -0.803 10.840 1.00 0.00 C ATOM 1506 CD2 PHE A 103 2.420 -0.575 11.750 1.00 0.00 C ATOM 1507 CE1 PHE A 103 -0.346 -0.211 11.992 1.00 0.00 C ATOM 1508 CE2 PHE A 103 1.890 0.017 12.903 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.507 0.199 13.024 1.00 0.00 C ATOM 0 H PHE A 103 0.047 -2.921 9.480 1.00 0.00 H new ATOM 0 HA PHE A 103 2.501 -3.522 8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.164 -1.279 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.572 -1.278 8.608 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.474 -1.120 10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.487 -0.715 11.657 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.413 -0.070 12.085 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.548 0.333 13.699 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.098 0.656 13.913 1.00 0.00 H new ATOM 1519 N GLY A 104 4.332 -3.657 10.392 1.00 0.00 N ATOM 1520 CA GLY A 104 5.282 -4.132 11.378 1.00 0.00 C ATOM 1521 C GLY A 104 6.309 -3.051 11.684 1.00 0.00 C ATOM 1522 O GLY A 104 6.182 -1.920 11.219 1.00 0.00 O ATOM 0 H GLY A 104 4.755 -3.319 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.758 -4.415 12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.784 -5.026 11.008 1.00 0.00 H new ATOM 1526 N ASP A 105 7.329 -3.401 12.471 1.00 0.00 N ATOM 1527 CA ASP A 105 8.370 -2.461 12.836 1.00 0.00 C ATOM 1528 C ASP A 105 9.610 -3.218 13.290 1.00 0.00 C ATOM 1529 O ASP A 105 9.521 -4.116 14.123 1.00 0.00 O ATOM 1530 CB ASP A 105 7.860 -1.543 13.943 1.00 0.00 C ATOM 1531 CG ASP A 105 7.633 -2.321 15.232 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.634 -2.535 15.949 1.00 0.00 O ATOM 1533 OD2 ASP A 105 6.463 -2.686 15.476 1.00 0.00 O ATOM 0 H ASP A 105 7.449 -4.334 12.865 1.00 0.00 H new ATOM 0 HA ASP A 105 8.636 -1.852 11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.580 -0.743 14.118 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.929 -1.071 13.630 1.00 0.00 H new