USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 12 SER OG : rot -66:sc= -0.0105 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.816 K(o=0.81,f=-4.8!) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.95) USER MOD Set 2.2: A 9 SER OG : rot 85:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.00229 (180deg=-0.0577) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.79) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.409 (180deg=-0.455) USER MOD Single : B 3 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.374 K(o=0.37,f=-1.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00389) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.403 2.088 -1.251 1.00 25.00 N ATOM 2 CA GLY A 1 3.631 0.939 -2.158 1.00 25.00 C ATOM 3 C GLY A 1 2.613 0.743 -3.303 1.00 25.00 C ATOM 4 O GLY A 1 1.613 1.373 -3.360 1.00 25.00 O ATOM 0 H1 GLY A 1 4.215 2.736 -1.301 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.540 2.592 -1.539 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.294 1.744 -0.276 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.622 1.046 -2.599 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.646 0.030 -1.557 1.00 25.00 H new ATOM 9 N ILE A 2 2.920 -0.219 -4.213 1.00 25.00 N ATOM 10 CA ILE A 2 2.064 -0.467 -5.393 1.00 25.00 C ATOM 11 C ILE A 2 0.592 -0.703 -5.017 1.00 25.00 C ATOM 12 O ILE A 2 -0.285 0.088 -5.373 1.00 25.00 O ATOM 13 CB ILE A 2 2.584 -1.719 -6.225 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.107 -1.614 -6.517 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.772 -1.842 -7.551 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.747 -2.856 -7.187 1.00 25.00 C ATOM 0 H ILE A 2 3.740 -0.823 -4.151 1.00 25.00 H new ATOM 0 HA ILE A 2 2.124 0.436 -6.000 1.00 25.00 H new ATOM 0 HB ILE A 2 2.431 -2.618 -5.628 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.277 -0.749 -7.158 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.626 -1.422 -5.578 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.130 -2.701 -8.119 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.715 -1.976 -7.319 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.902 -0.936 -8.143 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.810 -2.676 -7.346 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.618 -3.725 -6.541 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.263 -3.042 -8.146 1.00 25.00 H new ATOM 28 N VAL A 3 0.316 -1.759 -4.276 1.00 25.00 N ATOM 29 CA VAL A 3 -1.089 -2.054 -3.918 1.00 25.00 C ATOM 30 C VAL A 3 -1.666 -1.073 -2.886 1.00 25.00 C ATOM 31 O VAL A 3 -2.831 -0.834 -2.880 1.00 25.00 O ATOM 32 CB VAL A 3 -1.287 -3.519 -3.415 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.019 -4.524 -4.540 1.00 25.00 C ATOM 34 CG2 VAL A 3 -0.356 -3.832 -2.223 1.00 25.00 C ATOM 0 H VAL A 3 1.007 -2.416 -3.913 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.643 -1.930 -4.849 1.00 25.00 H new ATOM 0 HB VAL A 3 -2.323 -3.610 -3.089 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.163 -5.537 -4.165 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.709 -4.340 -5.364 1.00 25.00 H new ATOM 0 HG13 VAL A 3 0.006 -4.410 -4.893 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -0.517 -4.859 -1.895 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.682 -3.708 -2.530 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -0.575 -3.150 -1.401 1.00 25.00 H new ATOM 44 N GLU A 4 -0.836 -0.492 -1.990 1.00 25.00 N ATOM 45 CA GLU A 4 -1.371 0.430 -1.025 1.00 25.00 C ATOM 46 C GLU A 4 -1.999 1.585 -1.816 1.00 25.00 C ATOM 47 O GLU A 4 -3.074 2.072 -1.418 1.00 25.00 O ATOM 48 CB GLU A 4 -0.277 0.951 -0.097 1.00 25.00 C ATOM 49 CG GLU A 4 -0.745 1.867 1.031 1.00 25.00 C ATOM 50 CD GLU A 4 0.389 2.458 1.790 1.00 25.00 C ATOM 51 OE1 GLU A 4 1.484 2.024 1.779 1.00 25.00 O ATOM 52 OE2 GLU A 4 0.070 3.562 2.408 1.00 25.00 O ATOM 0 H GLU A 4 0.170 -0.652 -1.933 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.111 -0.063 -0.395 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.237 0.097 0.343 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.456 1.490 -0.697 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.356 2.668 0.615 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.380 1.303 1.714 1.00 25.00 H new ATOM 60 N GLN A 5 -1.393 1.971 -2.908 1.00 25.00 N ATOM 61 CA GLN A 5 -1.980 3.019 -3.711 1.00 25.00 C ATOM 62 C GLN A 5 -3.134 2.537 -4.601 1.00 25.00 C ATOM 63 O GLN A 5 -4.296 2.979 -4.455 1.00 25.00 O ATOM 64 CB GLN A 5 -0.924 3.651 -4.602 1.00 25.00 C ATOM 65 CG GLN A 5 -1.401 4.923 -5.369 1.00 25.00 C ATOM 66 CD GLN A 5 -1.703 6.057 -4.428 1.00 25.00 C ATOM 67 OE1 GLN A 5 -1.150 6.138 -3.362 1.00 25.00 O ATOM 68 NE2 GLN A 5 -2.656 6.907 -4.810 1.00 25.00 N ATOM 0 H GLN A 5 -0.515 1.589 -3.258 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.385 3.742 -3.003 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.061 3.913 -3.991 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.588 2.910 -5.327 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.631 5.232 -6.076 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.292 4.685 -5.951 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.098 6.801 -5.723 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.943 7.664 -4.189 1.00 25.00 H new ATOM 77 N CYS A 6 -2.854 1.558 -5.450 1.00 25.00 N ATOM 78 CA CYS A 6 -3.779 1.070 -6.508 1.00 25.00 C ATOM 79 C CYS A 6 -4.953 0.175 -6.131 1.00 25.00 C ATOM 80 O CYS A 6 -5.871 0.029 -6.895 1.00 25.00 O ATOM 81 CB CYS A 6 -2.958 0.363 -7.556 1.00 25.00 C ATOM 82 SG CYS A 6 -1.590 1.338 -8.306 1.00 25.00 S ATOM 0 H CYS A 6 -1.964 1.060 -5.437 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.275 1.983 -6.838 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.534 -0.537 -7.110 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.626 0.039 -8.354 1.00 25.00 H new ATOM 87 N CYS A 7 -4.958 -0.346 -4.934 1.00 25.00 N ATOM 88 CA CYS A 7 -6.109 -1.110 -4.496 1.00 25.00 C ATOM 89 C CYS A 7 -7.238 -0.153 -4.087 1.00 25.00 C ATOM 90 O CYS A 7 -8.400 -0.528 -4.149 1.00 25.00 O ATOM 91 CB CYS A 7 -5.712 -2.001 -3.297 1.00 25.00 C ATOM 92 SG CYS A 7 -6.651 -3.570 -3.183 1.00 25.00 S ATOM 0 H CYS A 7 -4.202 -0.263 -4.255 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.457 -1.743 -5.312 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.649 -2.231 -3.366 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.857 -1.437 -2.376 1.00 25.00 H new ATOM 97 N THR A 8 -6.919 1.069 -3.702 1.00 25.00 N ATOM 98 CA THR A 8 -7.951 2.025 -3.234 1.00 25.00 C ATOM 99 C THR A 8 -8.179 3.134 -4.292 1.00 25.00 C ATOM 100 O THR A 8 -9.298 3.629 -4.445 1.00 25.00 O ATOM 101 CB THR A 8 -7.592 2.581 -1.796 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.727 3.228 -1.239 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.444 3.537 -1.807 1.00 25.00 C ATOM 0 H THR A 8 -5.968 1.437 -3.697 1.00 25.00 H new ATOM 0 HA THR A 8 -8.904 1.507 -3.123 1.00 25.00 H new ATOM 0 HB THR A 8 -7.295 1.723 -1.193 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.504 3.570 -0.348 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.248 3.882 -0.792 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.558 3.037 -2.198 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.688 4.391 -2.439 1.00 25.00 H new ATOM 111 N SER A 9 -7.127 3.438 -5.051 1.00 25.00 N ATOM 112 CA SER A 9 -7.169 4.516 -6.055 1.00 25.00 C ATOM 113 C SER A 9 -7.116 3.946 -7.507 1.00 25.00 C ATOM 114 O SER A 9 -7.108 2.763 -7.696 1.00 25.00 O ATOM 115 CB SER A 9 -5.971 5.431 -5.840 1.00 25.00 C ATOM 116 OG SER A 9 -5.828 5.801 -4.478 1.00 25.00 O ATOM 0 H SER A 9 -6.230 2.955 -4.994 1.00 25.00 H new ATOM 0 HA SER A 9 -8.105 5.062 -5.936 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.065 4.928 -6.177 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.084 6.327 -6.450 1.00 25.00 H new ATOM 0 HG SER A 9 -5.333 5.104 -4.000 1.00 25.00 H new ATOM 122 N ILE A 10 -7.144 4.822 -8.524 1.00 25.00 N ATOM 123 CA ILE A 10 -7.078 4.398 -9.928 1.00 25.00 C ATOM 124 C ILE A 10 -5.618 4.645 -10.375 1.00 25.00 C ATOM 125 O ILE A 10 -5.048 5.749 -10.149 1.00 25.00 O ATOM 126 CB ILE A 10 -7.993 5.215 -10.867 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.465 5.093 -10.439 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.840 4.715 -12.376 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.022 3.637 -10.380 1.00 25.00 C ATOM 0 H ILE A 10 -7.212 5.832 -8.397 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.404 3.360 -9.991 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.688 6.259 -10.800 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.580 5.549 -9.455 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.077 5.671 -11.131 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.492 5.303 -13.022 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.806 4.838 -12.697 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.118 3.663 -12.441 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.066 3.659 -10.068 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.947 3.179 -11.366 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.442 3.054 -9.664 1.00 25.00 H new ATOM 141 N CYS A 11 -4.977 3.629 -10.933 1.00 25.00 N ATOM 142 CA CYS A 11 -3.594 3.756 -11.420 1.00 25.00 C ATOM 143 C CYS A 11 -3.515 3.561 -12.948 1.00 25.00 C ATOM 144 O CYS A 11 -4.068 2.567 -13.495 1.00 25.00 O ATOM 145 CB CYS A 11 -2.698 2.762 -10.696 1.00 25.00 C ATOM 146 SG CYS A 11 -2.514 3.046 -8.905 1.00 25.00 S ATOM 0 H CYS A 11 -5.385 2.703 -11.064 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.245 4.766 -11.206 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.096 1.759 -10.850 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.710 2.786 -11.155 1.00 25.00 H new ATOM 151 N SER A 12 -2.814 4.462 -13.599 1.00 25.00 N ATOM 152 CA SER A 12 -2.597 4.373 -15.034 1.00 25.00 C ATOM 153 C SER A 12 -1.309 3.651 -15.264 1.00 25.00 C ATOM 154 O SER A 12 -0.415 3.647 -14.414 1.00 25.00 O ATOM 155 CB SER A 12 -2.461 5.760 -15.636 1.00 25.00 C ATOM 156 OG SER A 12 -1.392 6.458 -15.043 1.00 25.00 O ATOM 0 H SER A 12 -2.380 5.272 -13.157 1.00 25.00 H new ATOM 0 HA SER A 12 -3.440 3.856 -15.493 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.298 5.681 -16.711 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.388 6.316 -15.494 1.00 25.00 H new ATOM 0 HG SER A 12 -1.597 6.630 -14.100 1.00 25.00 H new ATOM 162 N LEU A 13 -1.109 3.103 -16.456 1.00 25.00 N ATOM 163 CA LEU A 13 0.181 2.469 -16.850 1.00 25.00 C ATOM 164 C LEU A 13 1.282 3.499 -16.866 1.00 25.00 C ATOM 165 O LEU A 13 2.545 3.156 -16.550 1.00 25.00 O ATOM 166 CB LEU A 13 0.159 1.746 -18.192 1.00 25.00 C ATOM 167 CG LEU A 13 -0.767 0.501 -18.277 1.00 25.00 C ATOM 168 CD1 LEU A 13 -0.539 -0.174 -19.642 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.481 -0.545 -17.154 1.00 25.00 C ATOM 0 H LEU A 13 -1.821 3.076 -17.186 1.00 25.00 H new ATOM 0 HA LEU A 13 0.362 1.704 -16.095 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.148 2.456 -18.960 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.176 1.436 -18.432 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.795 0.842 -18.152 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.179 -1.052 -19.725 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -0.781 0.528 -20.440 1.00 25.00 H new ATOM 0 HD13 LEU A 13 0.505 -0.476 -19.729 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.158 -1.392 -17.265 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.549 -0.891 -17.233 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.634 -0.083 -16.179 1.00 25.00 H new ATOM 181 N TYR A 14 1.053 4.797 -17.081 1.00 25.00 N ATOM 182 CA TYR A 14 2.097 5.843 -16.931 1.00 25.00 C ATOM 183 C TYR A 14 2.691 5.831 -15.524 1.00 25.00 C ATOM 184 O TYR A 14 3.885 6.031 -15.309 1.00 25.00 O ATOM 185 CB TYR A 14 1.566 7.234 -17.298 1.00 25.00 C ATOM 186 CG TYR A 14 2.625 8.368 -17.181 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.648 8.447 -18.063 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.448 9.278 -16.181 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.678 9.538 -17.949 1.00 25.00 C ATOM 190 CE2 TYR A 14 3.281 10.352 -16.041 1.00 25.00 C ATOM 191 CZ TYR A 14 4.357 10.563 -16.848 1.00 25.00 C ATOM 192 OH TYR A 14 5.126 11.639 -16.745 1.00 25.00 O ATOM 0 H TYR A 14 0.144 5.163 -17.364 1.00 25.00 H new ATOM 0 HA TYR A 14 2.896 5.607 -17.634 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.187 7.209 -18.320 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.722 7.471 -16.651 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.726 7.719 -18.857 1.00 25.00 H new ATOM 0 HD2 TYR A 14 1.632 9.147 -15.485 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.555 9.596 -18.577 1.00 25.00 H new ATOM 0 HE2 TYR A 14 3.077 11.065 -15.256 1.00 25.00 H new ATOM 0 HH TYR A 14 4.807 12.200 -16.008 1.00 25.00 H new ATOM 202 N GLN A 15 1.851 5.631 -14.452 1.00 25.00 N ATOM 203 CA GLN A 15 2.313 5.579 -13.074 1.00 25.00 C ATOM 204 C GLN A 15 2.960 4.232 -12.809 1.00 25.00 C ATOM 205 O GLN A 15 3.979 4.172 -12.156 1.00 25.00 O ATOM 206 CB GLN A 15 1.156 5.805 -12.095 1.00 25.00 C ATOM 207 CG GLN A 15 0.491 7.145 -12.205 1.00 25.00 C ATOM 208 CD GLN A 15 -0.816 7.131 -11.447 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.805 6.616 -11.949 1.00 25.00 O ATOM 210 NE2 GLN A 15 -0.857 7.688 -10.270 1.00 25.00 N ATOM 0 H GLN A 15 0.844 5.505 -14.550 1.00 25.00 H new ATOM 0 HA GLN A 15 3.043 6.374 -12.923 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.407 5.029 -12.254 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.530 5.683 -11.078 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.145 7.920 -11.806 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.312 7.388 -13.252 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.016 8.110 -9.876 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.730 7.702 -9.743 1.00 25.00 H new ATOM 219 N LEU A 16 2.405 3.152 -13.353 1.00 25.00 N ATOM 220 CA LEU A 16 2.985 1.804 -13.115 1.00 25.00 C ATOM 221 C LEU A 16 4.416 1.681 -13.590 1.00 25.00 C ATOM 222 O LEU A 16 5.191 0.956 -12.949 1.00 25.00 O ATOM 223 CB LEU A 16 2.141 0.728 -13.784 1.00 25.00 C ATOM 224 CG LEU A 16 1.275 -0.050 -12.773 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.170 0.779 -12.144 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.583 -1.264 -13.529 1.00 25.00 C ATOM 0 H LEU A 16 1.577 3.165 -13.948 1.00 25.00 H new ATOM 0 HA LEU A 16 2.983 1.664 -12.034 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.496 1.188 -14.533 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.794 0.032 -14.311 1.00 25.00 H new ATOM 0 HG LEU A 16 1.945 -0.369 -11.975 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.395 0.162 -11.445 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.607 1.624 -11.611 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.497 1.147 -12.923 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.034 -1.825 -12.827 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -0.042 -0.881 -14.336 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.349 -1.919 -13.943 1.00 25.00 H new ATOM 238 N GLU A 17 4.760 2.431 -14.615 1.00 25.00 N ATOM 239 CA GLU A 17 6.140 2.395 -15.076 1.00 25.00 C ATOM 240 C GLU A 17 7.120 2.787 -13.988 1.00 25.00 C ATOM 241 O GLU A 17 8.217 2.283 -13.940 1.00 25.00 O ATOM 242 CB GLU A 17 6.369 3.344 -16.244 1.00 25.00 C ATOM 243 CG GLU A 17 5.954 2.709 -17.612 1.00 25.00 C ATOM 244 CD GLU A 17 6.235 3.597 -18.763 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.516 4.514 -19.047 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.334 3.313 -19.399 1.00 25.00 O ATOM 0 H GLU A 17 4.136 3.051 -15.131 1.00 25.00 H new ATOM 0 HA GLU A 17 6.312 1.363 -15.380 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.800 4.260 -16.083 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.421 3.625 -16.280 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.486 1.767 -17.747 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.890 2.474 -17.591 1.00 25.00 H new ATOM 254 N ASN A 18 6.744 3.646 -13.091 1.00 25.00 N ATOM 255 CA ASN A 18 7.661 4.071 -12.015 1.00 25.00 C ATOM 256 C ASN A 18 8.020 2.957 -11.096 1.00 25.00 C ATOM 257 O ASN A 18 9.132 2.955 -10.531 1.00 25.00 O ATOM 258 CB ASN A 18 7.093 5.298 -11.240 1.00 25.00 C ATOM 259 CG ASN A 18 7.487 6.615 -11.892 1.00 25.00 C ATOM 260 OD1 ASN A 18 8.666 6.768 -12.299 1.00 25.00 O ATOM 261 ND2 ASN A 18 6.593 7.549 -12.036 1.00 25.00 N ATOM 0 H ASN A 18 5.821 4.078 -13.060 1.00 25.00 H new ATOM 0 HA ASN A 18 8.589 4.381 -12.496 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.006 5.227 -11.194 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.457 5.279 -10.213 1.00 25.00 H new ATOM 0 HD21 ASN A 18 6.843 8.429 -12.488 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.642 7.401 -11.697 1.00 25.00 H new ATOM 268 N TYR A 19 7.138 1.947 -10.963 1.00 25.00 N ATOM 269 CA TYR A 19 7.449 0.810 -10.068 1.00 25.00 C ATOM 270 C TYR A 19 8.473 -0.155 -10.698 1.00 25.00 C ATOM 271 O TYR A 19 8.986 -1.016 -10.030 1.00 25.00 O ATOM 272 CB TYR A 19 6.187 0.043 -9.768 1.00 25.00 C ATOM 273 CG TYR A 19 5.061 0.872 -9.170 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.247 1.629 -8.008 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.765 0.877 -9.760 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.200 2.398 -7.436 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.711 1.643 -9.201 1.00 25.00 C ATOM 278 CZ TYR A 19 2.946 2.397 -8.020 1.00 25.00 C ATOM 279 OH TYR A 19 1.980 3.125 -7.413 1.00 25.00 O ATOM 0 H TYR A 19 6.239 1.891 -11.442 1.00 25.00 H new ATOM 0 HA TYR A 19 7.879 1.221 -9.155 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.830 -0.416 -10.690 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.427 -0.768 -9.080 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.216 1.628 -7.532 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.582 0.288 -10.647 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.382 2.983 -6.546 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.738 1.653 -9.669 1.00 25.00 H new ATOM 0 HH TYR A 19 1.144 3.046 -7.918 1.00 25.00 H new ATOM 289 N CYS A 20 8.736 0.003 -11.979 1.00 25.00 N ATOM 290 CA CYS A 20 9.750 -0.805 -12.669 1.00 25.00 C ATOM 291 C CYS A 20 11.032 0.030 -12.990 1.00 25.00 C ATOM 292 O CYS A 20 12.065 -0.497 -13.293 1.00 25.00 O ATOM 293 CB CYS A 20 9.134 -1.354 -13.990 1.00 25.00 C ATOM 294 SG CYS A 20 9.631 -3.052 -14.427 1.00 25.00 S ATOM 0 H CYS A 20 8.265 0.684 -12.575 1.00 25.00 H new ATOM 0 HA CYS A 20 10.048 -1.625 -12.015 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.048 -1.320 -13.908 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.413 -0.689 -14.807 1.00 25.00 H new ATOM 299 N ASN A 21 10.885 1.394 -12.886 1.00 25.00 N ATOM 300 CA ASN A 21 12.009 2.334 -13.239 1.00 25.00 C ATOM 301 C ASN A 21 13.022 2.594 -12.095 1.00 25.00 C ATOM 302 O ASN A 21 14.200 2.511 -12.231 1.00 25.00 O ATOM 303 CB ASN A 21 11.423 3.637 -13.824 1.00 25.00 C ATOM 304 CG ASN A 21 12.470 4.616 -14.209 1.00 25.00 C ATOM 305 OD1 ASN A 21 12.869 5.474 -13.497 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.967 4.461 -15.405 1.00 25.00 N ATOM 307 OXT ASN A 21 12.484 2.892 -10.924 1.00 25.00 O ATOM 0 H ASN A 21 10.031 1.854 -12.572 1.00 25.00 H new ATOM 0 HA ASN A 21 12.613 1.837 -13.998 1.00 25.00 H new ATOM 0 HB2 ASN A 21 10.817 3.397 -14.698 1.00 25.00 H new ATOM 0 HB3 ASN A 21 10.758 4.093 -13.090 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.706 5.082 -15.735 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.617 3.719 -16.011 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -2.654 2.802 -20.173 1.00 25.00 N ATOM 317 CA PHE B 1 -4.131 2.780 -20.214 1.00 25.00 C ATOM 318 C PHE B 1 -4.828 3.243 -18.932 1.00 25.00 C ATOM 319 O PHE B 1 -4.266 3.336 -17.851 1.00 25.00 O ATOM 320 CB PHE B 1 -4.659 1.431 -20.555 1.00 25.00 C ATOM 321 CG PHE B 1 -3.952 0.646 -21.640 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.666 1.220 -22.913 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.545 -0.691 -21.399 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.013 0.474 -23.878 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.896 -1.415 -22.392 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.626 -0.825 -23.638 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.279 2.014 -20.739 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.309 3.703 -20.562 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.333 2.704 -19.189 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.364 3.504 -20.995 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.649 0.829 -19.646 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.702 1.545 -20.851 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.959 2.238 -23.124 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.740 -1.148 -20.440 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.803 0.920 -24.839 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.598 -2.436 -22.205 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.116 -1.389 -24.405 1.00 25.00 H new ATOM 337 N VAL B 2 -6.145 3.599 -19.093 1.00 25.00 N ATOM 338 CA VAL B 2 -7.011 3.971 -17.987 1.00 25.00 C ATOM 339 C VAL B 2 -7.480 2.619 -17.454 1.00 25.00 C ATOM 340 O VAL B 2 -7.857 1.752 -18.202 1.00 25.00 O ATOM 341 CB VAL B 2 -8.176 4.882 -18.520 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.222 5.254 -17.443 1.00 25.00 C ATOM 343 CG2 VAL B 2 -7.583 6.180 -19.110 1.00 25.00 C ATOM 0 H VAL B 2 -6.607 3.627 -20.002 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.538 4.559 -17.201 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.698 4.299 -19.279 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.993 5.883 -17.887 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.677 4.345 -17.049 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.733 5.796 -16.633 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.389 6.813 -19.480 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -7.030 6.712 -18.336 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.910 5.932 -19.931 1.00 25.00 H new ATOM 353 N ASN B 3 -7.343 2.419 -16.144 1.00 25.00 N ATOM 354 CA ASN B 3 -7.720 1.154 -15.543 1.00 25.00 C ATOM 355 C ASN B 3 -8.724 1.410 -14.475 1.00 25.00 C ATOM 356 O ASN B 3 -9.145 2.576 -14.298 1.00 25.00 O ATOM 357 CB ASN B 3 -6.501 0.444 -14.966 1.00 25.00 C ATOM 358 CG ASN B 3 -5.440 0.216 -15.997 1.00 25.00 C ATOM 359 OD1 ASN B 3 -5.663 -0.510 -16.957 1.00 25.00 O ATOM 360 ND2 ASN B 3 -4.280 0.780 -15.800 1.00 25.00 N ATOM 0 H ASN B 3 -6.978 3.112 -15.490 1.00 25.00 H new ATOM 0 HA ASN B 3 -8.151 0.506 -16.306 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -6.090 1.037 -14.149 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.806 -0.513 -14.543 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -3.518 0.622 -16.459 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -4.135 1.378 -14.987 1.00 25.00 H new ATOM 367 N GLN B 4 -9.037 0.367 -13.724 1.00 25.00 N ATOM 368 CA GLN B 4 -9.831 0.458 -12.540 1.00 25.00 C ATOM 369 C GLN B 4 -8.864 0.339 -11.379 1.00 25.00 C ATOM 370 O GLN B 4 -7.652 0.656 -11.530 1.00 25.00 O ATOM 371 CB GLN B 4 -10.868 -0.659 -12.574 1.00 25.00 C ATOM 372 CG GLN B 4 -12.252 -0.242 -12.119 1.00 25.00 C ATOM 373 CD GLN B 4 -13.331 -0.952 -12.893 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.523 -2.140 -12.755 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.061 -0.217 -13.683 1.00 25.00 N ATOM 0 H GLN B 4 -8.732 -0.583 -13.938 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.381 1.395 -12.449 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.934 -1.046 -13.591 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.523 -1.478 -11.943 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.366 -0.456 -11.056 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.366 0.835 -12.241 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.869 0.781 -13.773 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -14.825 -0.639 -14.211 1.00 25.00 H new ATOM 384 N HIS B 5 -9.346 -0.126 -10.256 1.00 25.00 N ATOM 385 CA HIS B 5 -8.487 -0.396 -9.122 1.00 25.00 C ATOM 386 C HIS B 5 -7.688 -1.660 -9.437 1.00 25.00 C ATOM 387 O HIS B 5 -8.173 -2.542 -10.168 1.00 25.00 O ATOM 388 CB HIS B 5 -9.331 -0.625 -7.869 1.00 25.00 C ATOM 389 CG HIS B 5 -10.244 0.526 -7.535 1.00 25.00 C ATOM 390 ND1 HIS B 5 -9.766 1.726 -7.057 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.610 0.641 -7.523 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.786 2.517 -6.792 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.891 1.888 -7.057 1.00 25.00 N ATOM 0 H HIS B 5 -10.333 -0.328 -10.097 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.822 0.448 -8.941 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.931 -1.525 -8.005 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.668 -0.808 -7.024 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -8.782 1.964 -6.929 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.324 -0.111 -7.825 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.715 3.527 -6.415 1.00 25.00 H new ATOM 402 N LEU B 6 -6.448 -1.741 -8.991 1.00 25.00 N ATOM 403 CA LEU B 6 -5.562 -2.849 -9.350 1.00 25.00 C ATOM 404 C LEU B 6 -4.960 -3.402 -8.041 1.00 25.00 C ATOM 405 O LEU B 6 -4.331 -2.695 -7.285 1.00 25.00 O ATOM 406 CB LEU B 6 -4.476 -2.353 -10.327 1.00 25.00 C ATOM 407 CG LEU B 6 -4.876 -1.868 -11.761 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.666 -1.349 -12.501 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.528 -3.053 -12.598 1.00 25.00 C ATOM 0 H LEU B 6 -6.023 -1.049 -8.374 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.103 -3.646 -9.859 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.954 -1.529 -9.840 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.755 -3.161 -10.448 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.605 -1.066 -11.648 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.963 -1.016 -13.496 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.235 -0.512 -11.952 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.926 -2.144 -12.590 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.798 -2.692 -13.590 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.812 -3.870 -12.691 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.422 -3.411 -12.087 1.00 25.00 H new ATOM 421 N CYS B 7 -5.148 -4.696 -7.843 1.00 25.00 N ATOM 422 CA CYS B 7 -4.724 -5.329 -6.613 1.00 25.00 C ATOM 423 C CYS B 7 -4.308 -6.750 -6.781 1.00 25.00 C ATOM 424 O CYS B 7 -3.226 -7.143 -6.343 1.00 25.00 O ATOM 425 CB CYS B 7 -5.859 -5.169 -5.595 1.00 25.00 C ATOM 426 SG CYS B 7 -5.317 -4.972 -3.879 1.00 25.00 S ATOM 0 H CYS B 7 -5.589 -5.323 -8.516 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.820 -4.836 -6.255 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.459 -4.302 -5.874 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.510 -6.041 -5.658 1.00 25.00 H new HETATM 431 N AIB B 8 -5.236 -7.554 -7.415 1.00 25.00 N HETATM 432 CA AIB B 8 -5.081 -9.043 -7.738 1.00 25.00 C HETATM 433 C AIB B 8 -4.008 -9.331 -8.854 1.00 25.00 C HETATM 434 O AIB B 8 -3.329 -8.419 -9.236 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.502 -9.558 -8.236 1.00 25.00 C HETATM 436 CB2 AIB B 8 -4.725 -9.855 -6.427 1.00 25.00 C HETATM 0 H AIB B 8 -6.135 -7.186 -7.726 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -6.440 -10.619 -8.479 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.240 -9.409 -7.448 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.801 -9.000 -9.123 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -4.618 -10.912 -6.671 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -3.789 -9.482 -6.011 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -5.523 -9.731 -5.694 1.00 25.00 H new ATOM 444 N SER B 9 -4.039 -10.556 -9.480 1.00 25.00 N ATOM 445 CA SER B 9 -3.195 -10.977 -10.642 1.00 25.00 C ATOM 446 C SER B 9 -3.132 -9.988 -11.796 1.00 25.00 C ATOM 447 O SER B 9 -2.131 -9.798 -12.456 1.00 25.00 O ATOM 448 CB SER B 9 -3.706 -12.296 -11.192 1.00 25.00 C ATOM 449 OG SER B 9 -2.828 -12.799 -12.186 1.00 25.00 O ATOM 0 H SER B 9 -4.673 -11.295 -9.176 1.00 25.00 H new ATOM 0 HA SER B 9 -2.186 -11.050 -10.237 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.801 -13.021 -10.383 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.701 -12.158 -11.615 1.00 25.00 H new ATOM 0 HG SER B 9 -3.174 -13.650 -12.527 1.00 25.00 H new ATOM 455 N HIS B 10 -4.276 -9.316 -12.016 1.00 25.00 N ATOM 456 CA HIS B 10 -4.418 -8.342 -13.061 1.00 25.00 C ATOM 457 C HIS B 10 -3.370 -7.208 -12.895 1.00 25.00 C ATOM 458 O HIS B 10 -3.002 -6.564 -13.831 1.00 25.00 O ATOM 459 CB HIS B 10 -5.828 -7.703 -13.018 1.00 25.00 C ATOM 460 CG HIS B 10 -6.950 -8.696 -12.812 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.951 -8.547 -11.835 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.254 -9.862 -13.429 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.792 -9.556 -11.929 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.381 -10.370 -12.863 1.00 25.00 N ATOM 0 H HIS B 10 -5.120 -9.449 -11.459 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.267 -8.854 -14.012 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.857 -6.967 -12.215 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.000 -7.165 -13.950 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -6.695 -10.313 -14.236 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -9.680 -9.689 -11.329 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.833 -11.246 -13.126 1.00 25.00 H new ATOM 473 N LEU B 11 -2.982 -6.922 -11.658 1.00 25.00 N ATOM 474 CA LEU B 11 -2.015 -5.863 -11.366 1.00 25.00 C ATOM 475 C LEU B 11 -0.649 -6.364 -11.817 1.00 25.00 C ATOM 476 O LEU B 11 0.108 -5.614 -12.445 1.00 25.00 O ATOM 477 CB LEU B 11 -2.007 -5.549 -9.840 1.00 25.00 C ATOM 478 CG LEU B 11 -0.960 -4.608 -9.181 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.308 -5.342 -8.849 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.648 -3.326 -10.040 1.00 25.00 C ATOM 0 H LEU B 11 -3.324 -7.412 -10.832 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.276 -4.943 -11.889 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.988 -5.137 -9.602 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.931 -6.507 -9.326 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.417 -4.262 -8.254 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.017 -4.653 -8.390 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.088 -6.153 -8.155 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.740 -5.753 -9.761 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.090 -2.712 -9.523 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.254 -3.626 -11.011 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.563 -2.751 -10.181 1.00 25.00 H new ATOM 492 N VAL B 12 -0.343 -7.624 -11.549 1.00 25.00 N ATOM 493 CA VAL B 12 0.949 -8.214 -11.958 1.00 25.00 C ATOM 494 C VAL B 12 1.027 -8.269 -13.485 1.00 25.00 C ATOM 495 O VAL B 12 2.070 -7.957 -14.091 1.00 25.00 O ATOM 496 CB VAL B 12 1.067 -9.645 -11.390 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.374 -10.304 -11.858 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.967 -9.603 -9.813 1.00 25.00 C ATOM 0 H VAL B 12 -0.961 -8.266 -11.052 1.00 25.00 H new ATOM 0 HA VAL B 12 1.763 -7.600 -11.573 1.00 25.00 H new ATOM 0 HB VAL B 12 0.244 -10.252 -11.767 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.440 -11.312 -11.448 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.387 -10.353 -12.947 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.223 -9.715 -11.511 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.051 -10.615 -9.416 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.774 -8.989 -9.413 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.007 -9.177 -9.520 1.00 25.00 H new ATOM 508 N GLU B 13 -0.084 -8.682 -14.107 1.00 25.00 N ATOM 509 CA GLU B 13 -0.131 -8.787 -15.553 1.00 25.00 C ATOM 510 C GLU B 13 0.060 -7.406 -16.184 1.00 25.00 C ATOM 511 O GLU B 13 0.713 -7.252 -17.200 1.00 25.00 O ATOM 512 CB GLU B 13 -1.478 -9.404 -16.039 1.00 25.00 C ATOM 513 CG GLU B 13 -1.466 -9.792 -17.482 1.00 25.00 C ATOM 514 CD GLU B 13 -2.735 -10.527 -17.898 1.00 25.00 C ATOM 515 OE1 GLU B 13 -2.796 -11.721 -17.993 1.00 25.00 O ATOM 516 OE2 GLU B 13 -3.719 -9.744 -18.209 1.00 25.00 O ATOM 0 H GLU B 13 -0.947 -8.944 -13.631 1.00 25.00 H new ATOM 0 HA GLU B 13 0.677 -9.449 -15.865 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.705 -10.283 -15.436 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.280 -8.686 -15.870 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.350 -8.898 -18.095 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.602 -10.427 -17.677 1.00 25.00 H new ATOM 524 N ALA B 14 -0.522 -6.376 -15.579 1.00 25.00 N ATOM 525 CA ALA B 14 -0.420 -5.035 -16.095 1.00 25.00 C ATOM 526 C ALA B 14 1.015 -4.522 -16.008 1.00 25.00 C ATOM 527 O ALA B 14 1.499 -3.874 -16.957 1.00 25.00 O ATOM 528 CB ALA B 14 -1.336 -4.104 -15.331 1.00 25.00 C ATOM 0 H ALA B 14 -1.072 -6.456 -14.724 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.720 -5.058 -17.143 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.247 -3.095 -15.733 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.367 -4.445 -15.431 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.055 -4.101 -14.278 1.00 25.00 H new ATOM 534 N LEU B 15 1.648 -4.795 -14.894 1.00 25.00 N ATOM 535 CA LEU B 15 3.016 -4.301 -14.658 1.00 25.00 C ATOM 536 C LEU B 15 3.936 -5.040 -15.623 1.00 25.00 C ATOM 537 O LEU B 15 4.788 -4.464 -16.244 1.00 25.00 O ATOM 538 CB LEU B 15 3.416 -4.456 -13.203 1.00 25.00 C ATOM 539 CG LEU B 15 4.805 -3.896 -12.834 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.895 -2.390 -13.072 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.087 -4.166 -11.327 1.00 25.00 C ATOM 0 H LEU B 15 1.258 -5.350 -14.132 1.00 25.00 H new ATOM 0 HA LEU B 15 3.087 -3.231 -14.851 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.668 -3.961 -12.584 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.391 -5.515 -12.948 1.00 25.00 H new ATOM 0 HG LEU B 15 5.537 -4.394 -13.469 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.890 -2.037 -12.799 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.710 -2.176 -14.125 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.149 -1.880 -12.462 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.068 -3.771 -11.064 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.325 -3.677 -10.721 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.066 -5.240 -11.140 1.00 25.00 H new ATOM 553 N TYR B 16 3.691 -6.322 -15.791 1.00 25.00 N ATOM 554 CA TYR B 16 4.411 -7.129 -16.781 1.00 25.00 C ATOM 555 C TYR B 16 4.236 -6.593 -18.167 1.00 25.00 C ATOM 556 O TYR B 16 5.250 -6.429 -18.864 1.00 25.00 O ATOM 557 CB TYR B 16 3.955 -8.581 -16.719 1.00 25.00 C ATOM 558 CG TYR B 16 4.624 -9.472 -17.804 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.006 -9.819 -17.711 1.00 25.00 C ATOM 560 CD2 TYR B 16 3.895 -9.873 -18.926 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.607 -10.577 -18.718 1.00 25.00 C ATOM 562 CE2 TYR B 16 4.511 -10.628 -19.947 1.00 25.00 C ATOM 563 CZ TYR B 16 5.873 -10.989 -19.812 1.00 25.00 C ATOM 564 OH TYR B 16 6.378 -11.769 -20.828 1.00 25.00 O ATOM 0 H TYR B 16 2.995 -6.841 -15.255 1.00 25.00 H new ATOM 0 HA TYR B 16 5.472 -7.077 -16.535 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.182 -8.986 -15.733 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.872 -8.622 -16.839 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.587 -9.495 -16.861 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.853 -9.603 -19.013 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.651 -10.842 -18.641 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.950 -10.927 -20.820 1.00 25.00 H new ATOM 0 HH TYR B 16 5.677 -11.935 -21.492 1.00 25.00 H new ATOM 574 N LEU B 17 3.013 -6.288 -18.584 1.00 25.00 N ATOM 575 CA LEU B 17 2.777 -5.758 -19.924 1.00 25.00 C ATOM 576 C LEU B 17 3.453 -4.401 -20.203 1.00 25.00 C ATOM 577 O LEU B 17 3.977 -4.188 -21.269 1.00 25.00 O ATOM 578 CB LEU B 17 1.251 -5.609 -20.194 1.00 25.00 C ATOM 579 CG LEU B 17 0.479 -6.909 -20.553 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.018 -6.681 -20.495 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.853 -7.435 -21.917 1.00 25.00 C ATOM 0 H LEU B 17 2.172 -6.397 -18.017 1.00 25.00 H new ATOM 0 HA LEU B 17 3.230 -6.488 -20.595 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.789 -5.172 -19.309 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.117 -4.897 -21.008 1.00 25.00 H new ATOM 0 HG LEU B 17 0.763 -7.655 -19.811 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.537 -7.605 -20.750 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.300 -6.372 -19.488 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.295 -5.901 -21.205 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.288 -8.344 -22.124 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.621 -6.684 -22.673 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.920 -7.657 -21.941 1.00 25.00 H new ATOM 593 N VAL B 18 3.475 -3.500 -19.231 1.00 25.00 N ATOM 594 CA VAL B 18 4.069 -2.194 -19.469 1.00 25.00 C ATOM 595 C VAL B 18 5.592 -2.222 -19.333 1.00 25.00 C ATOM 596 O VAL B 18 6.309 -1.383 -19.920 1.00 25.00 O ATOM 597 CB VAL B 18 3.376 -1.088 -18.548 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.774 -1.167 -17.080 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.684 0.329 -19.093 1.00 25.00 C ATOM 0 H VAL B 18 3.099 -3.643 -18.294 1.00 25.00 H new ATOM 0 HA VAL B 18 3.877 -1.914 -20.505 1.00 25.00 H new ATOM 0 HB VAL B 18 2.306 -1.292 -18.590 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.262 -0.384 -16.521 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.494 -2.141 -16.679 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.852 -1.033 -16.988 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.207 1.075 -18.458 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.762 0.491 -19.096 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.300 0.419 -20.109 1.00 25.00 H new ATOM 609 N CYS B 19 6.131 -3.127 -18.551 1.00 25.00 N ATOM 610 CA CYS B 19 7.583 -3.167 -18.340 1.00 25.00 C ATOM 611 C CYS B 19 8.362 -4.101 -19.269 1.00 25.00 C ATOM 612 O CYS B 19 9.524 -3.929 -19.531 1.00 25.00 O ATOM 613 CB CYS B 19 7.843 -3.537 -16.869 1.00 25.00 C ATOM 614 SG CYS B 19 9.542 -3.072 -16.427 1.00 25.00 S ATOM 0 H CYS B 19 5.605 -3.843 -18.050 1.00 25.00 H new ATOM 0 HA CYS B 19 7.958 -2.174 -18.587 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.133 -3.023 -16.221 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.695 -4.606 -16.719 1.00 25.00 H new ATOM 619 N GLY B 20 7.671 -5.147 -19.804 1.00 25.00 N ATOM 620 CA GLY B 20 8.343 -6.167 -20.591 1.00 25.00 C ATOM 621 C GLY B 20 8.927 -7.233 -19.680 1.00 25.00 C ATOM 622 O GLY B 20 8.464 -7.401 -18.560 1.00 25.00 O ATOM 0 H GLY B 20 6.666 -5.286 -19.695 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.639 -6.621 -21.289 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.135 -5.714 -21.187 1.00 25.00 H new ATOM 626 N GLU B 21 9.879 -8.038 -20.159 1.00 25.00 N ATOM 627 CA GLU B 21 10.410 -9.162 -19.351 1.00 25.00 C ATOM 628 C GLU B 21 11.654 -8.852 -18.489 1.00 25.00 C ATOM 629 O GLU B 21 12.460 -9.731 -18.216 1.00 25.00 O ATOM 630 CB GLU B 21 10.752 -10.293 -20.299 1.00 25.00 C ATOM 631 CG GLU B 21 9.658 -10.572 -21.325 1.00 25.00 C ATOM 632 CD GLU B 21 9.867 -11.868 -22.045 1.00 25.00 C ATOM 633 OE1 GLU B 21 8.968 -12.579 -22.326 1.00 25.00 O ATOM 634 OE2 GLU B 21 11.090 -12.145 -22.323 1.00 25.00 O ATOM 0 H GLU B 21 10.298 -7.944 -21.084 1.00 25.00 H new ATOM 0 HA GLU B 21 9.625 -9.409 -18.636 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.678 -10.052 -20.822 1.00 25.00 H new ATOM 0 HB3 GLU B 21 10.938 -11.198 -19.721 1.00 25.00 H new ATOM 0 HG2 GLU B 21 8.690 -10.590 -20.824 1.00 25.00 H new ATOM 0 HG3 GLU B 21 9.627 -9.758 -22.049 1.00 25.00 H new ATOM 642 N ARG B 22 11.817 -7.568 -18.125 1.00 25.00 N ATOM 643 CA ARG B 22 13.003 -7.100 -17.413 1.00 25.00 C ATOM 644 C ARG B 22 12.920 -7.292 -15.900 1.00 25.00 C ATOM 645 O ARG B 22 13.913 -7.094 -15.210 1.00 25.00 O ATOM 646 CB ARG B 22 13.260 -5.609 -17.734 1.00 25.00 C ATOM 647 CG ARG B 22 13.643 -5.281 -19.185 1.00 25.00 C ATOM 648 CD ARG B 22 12.462 -4.711 -20.003 1.00 25.00 C ATOM 649 NE ARG B 22 12.794 -4.616 -21.431 1.00 25.00 N ATOM 650 CZ ARG B 22 11.976 -4.157 -22.377 1.00 25.00 C ATOM 651 NH1 ARG B 22 10.795 -3.673 -22.114 1.00 25.00 N ATOM 652 NH2 ARG B 22 12.363 -4.223 -23.629 1.00 25.00 N ATOM 0 H ARG B 22 11.133 -6.837 -18.317 1.00 25.00 H new ATOM 0 HA ARG B 22 13.833 -7.714 -17.763 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.362 -5.045 -17.481 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.056 -5.251 -17.081 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.461 -4.560 -19.186 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.013 -6.184 -19.671 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.587 -5.348 -19.873 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.197 -3.724 -19.623 1.00 25.00 H new ATOM 0 HE ARG B 22 13.722 -4.925 -21.720 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.463 -3.634 -21.150 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.203 -3.333 -22.872 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.274 -4.620 -23.861 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.753 -3.878 -24.370 1.00 25.00 H new ATOM 666 N GLY B 23 11.750 -7.679 -15.398 1.00 25.00 N ATOM 667 CA GLY B 23 11.609 -7.875 -13.967 1.00 25.00 C ATOM 668 C GLY B 23 11.209 -6.633 -13.181 1.00 25.00 C ATOM 669 O GLY B 23 11.399 -5.493 -13.657 1.00 25.00 O ATOM 0 H GLY B 23 10.909 -7.858 -15.947 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.864 -8.651 -13.794 1.00 25.00 H new ATOM 0 HA3 GLY B 23 12.554 -8.247 -13.572 1.00 25.00 H new ATOM 673 N PHE B 24 10.702 -6.851 -11.969 1.00 25.00 N ATOM 674 CA PHE B 24 10.355 -5.781 -11.044 1.00 25.00 C ATOM 675 C PHE B 24 10.332 -6.317 -9.636 1.00 25.00 C ATOM 676 O PHE B 24 10.330 -7.527 -9.444 1.00 25.00 O ATOM 677 CB PHE B 24 9.009 -5.185 -11.391 1.00 25.00 C ATOM 678 CG PHE B 24 7.999 -6.199 -11.788 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.352 -6.957 -10.789 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.670 -6.403 -13.139 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.401 -7.932 -11.140 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.715 -7.369 -13.507 1.00 25.00 C ATOM 683 CZ PHE B 24 6.093 -8.146 -12.496 1.00 25.00 C ATOM 0 H PHE B 24 10.520 -7.785 -11.601 1.00 25.00 H new ATOM 0 HA PHE B 24 11.107 -4.996 -11.123 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.635 -4.627 -10.533 1.00 25.00 H new ATOM 0 HB3 PHE B 24 9.135 -4.471 -12.205 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.588 -6.788 -9.749 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.155 -5.813 -13.902 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.910 -8.513 -10.373 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.459 -7.517 -14.546 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.378 -8.908 -12.769 1.00 25.00 H new ATOM 693 N PHE B 25 10.348 -5.408 -8.660 1.00 25.00 N ATOM 694 CA PHE B 25 10.423 -5.814 -7.267 1.00 25.00 C ATOM 695 C PHE B 25 9.028 -5.923 -6.668 1.00 25.00 C ATOM 696 O PHE B 25 8.023 -5.934 -7.355 1.00 25.00 O ATOM 697 CB PHE B 25 11.320 -4.785 -6.510 1.00 25.00 C ATOM 698 CG PHE B 25 12.179 -5.455 -5.469 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.281 -6.229 -5.881 1.00 25.00 C ATOM 700 CD2 PHE B 25 11.894 -5.348 -4.066 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.148 -6.861 -4.910 1.00 25.00 C ATOM 702 CE2 PHE B 25 12.703 -5.991 -3.120 1.00 25.00 C ATOM 703 CZ PHE B 25 13.829 -6.736 -3.524 1.00 25.00 C ATOM 0 H PHE B 25 10.310 -4.400 -8.811 1.00 25.00 H new ATOM 0 HA PHE B 25 10.872 -6.803 -7.175 1.00 25.00 H new ATOM 0 HB2 PHE B 25 11.955 -4.261 -7.224 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.690 -4.034 -6.034 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.482 -6.352 -6.935 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.047 -4.765 -3.736 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.019 -7.416 -5.227 1.00 25.00 H new ATOM 0 HE2 PHE B 25 12.461 -5.915 -2.070 1.00 25.00 H new ATOM 0 HZ PHE B 25 14.453 -7.214 -2.783 1.00 25.00 H new ATOM 713 N TYR B 26 9.008 -5.888 -5.338 1.00 25.00 N ATOM 714 CA TYR B 26 7.771 -5.895 -4.518 1.00 25.00 C ATOM 715 C TYR B 26 6.801 -7.025 -4.800 1.00 25.00 C ATOM 716 O TYR B 26 5.702 -6.810 -5.349 1.00 25.00 O ATOM 717 CB TYR B 26 7.080 -4.546 -4.588 1.00 25.00 C ATOM 718 CG TYR B 26 6.212 -4.200 -3.366 1.00 25.00 C ATOM 719 CD1 TYR B 26 4.860 -4.564 -3.300 1.00 25.00 C ATOM 720 CD2 TYR B 26 6.756 -3.549 -2.241 1.00 25.00 C ATOM 721 CE1 TYR B 26 4.076 -4.322 -2.157 1.00 25.00 C ATOM 722 CE2 TYR B 26 5.975 -3.271 -1.112 1.00 25.00 C ATOM 723 CZ TYR B 26 4.647 -3.668 -1.051 1.00 25.00 C ATOM 724 OH TYR B 26 3.851 -3.421 0.059 1.00 25.00 O ATOM 0 H TYR B 26 9.859 -5.853 -4.777 1.00 25.00 H new ATOM 0 HA TYR B 26 8.111 -6.087 -3.500 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.838 -3.772 -4.709 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.454 -4.521 -5.480 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.406 -5.045 -4.153 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.796 -3.259 -2.249 1.00 25.00 H new ATOM 0 HE1 TYR B 26 3.043 -4.636 -2.129 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.412 -2.741 -0.279 1.00 25.00 H new ATOM 0 HH TYR B 26 4.380 -2.964 0.746 1.00 25.00 H new ATOM 734 N THR B 27 7.157 -8.220 -4.353 1.00 25.00 N ATOM 735 CA THR B 27 6.315 -9.397 -4.503 1.00 25.00 C ATOM 736 C THR B 27 6.600 -10.268 -3.291 1.00 25.00 C ATOM 737 O THR B 27 7.555 -9.977 -2.560 1.00 25.00 O ATOM 738 CB THR B 27 6.658 -10.119 -5.826 1.00 25.00 C ATOM 739 OG1 THR B 27 5.749 -11.194 -6.052 1.00 25.00 O ATOM 740 CG2 THR B 27 8.087 -10.726 -5.776 1.00 25.00 C ATOM 0 H THR B 27 8.040 -8.401 -3.875 1.00 25.00 H new ATOM 0 HA THR B 27 5.255 -9.149 -4.551 1.00 25.00 H new ATOM 0 HB THR B 27 6.592 -9.379 -6.623 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.975 -11.642 -6.894 1.00 25.00 H new ATOM 0 HG21 THR B 27 8.302 -11.228 -6.719 1.00 25.00 H new ATOM 0 HG22 THR B 27 8.815 -9.931 -5.614 1.00 25.00 H new ATOM 0 HG23 THR B 27 8.148 -11.446 -4.960 1.00 25.00 H new ATOM 748 N LYS B 28 5.749 -11.220 -2.963 1.00 25.00 N ATOM 749 CA LYS B 28 5.995 -12.060 -1.799 1.00 25.00 C ATOM 750 C LYS B 28 7.142 -12.972 -2.255 1.00 25.00 C ATOM 751 O LYS B 28 7.130 -13.461 -3.391 1.00 25.00 O ATOM 752 CB LYS B 28 4.755 -12.923 -1.430 1.00 25.00 C ATOM 753 CG LYS B 28 3.595 -12.098 -0.892 1.00 25.00 C ATOM 754 CD LYS B 28 2.414 -12.913 -0.484 1.00 25.00 C ATOM 755 CE LYS B 28 1.203 -12.044 -0.119 1.00 25.00 C ATOM 756 NZ LYS B 28 1.447 -11.119 0.982 1.00 25.00 N ATOM 0 H LYS B 28 4.893 -11.432 -3.475 1.00 25.00 H new ATOM 0 HA LYS B 28 6.221 -11.469 -0.912 1.00 25.00 H new ATOM 0 HB2 LYS B 28 4.425 -13.471 -2.313 1.00 25.00 H new ATOM 0 HB3 LYS B 28 5.044 -13.664 -0.684 1.00 25.00 H new ATOM 0 HG2 LYS B 28 3.939 -11.520 -0.034 1.00 25.00 H new ATOM 0 HG3 LYS B 28 3.285 -11.383 -1.654 1.00 25.00 H new ATOM 0 HD2 LYS B 28 2.143 -13.587 -1.296 1.00 25.00 H new ATOM 0 HD3 LYS B 28 2.682 -13.535 0.370 1.00 25.00 H new ATOM 0 HE2 LYS B 28 0.899 -11.475 -0.998 1.00 25.00 H new ATOM 0 HE3 LYS B 28 0.368 -12.694 0.144 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 0.575 -10.592 1.192 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 1.741 -11.652 1.825 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 2.199 -10.452 0.715 1.00 25.00 H new ATOM 770 N PRO B 29 8.182 -13.187 -1.433 1.00 25.00 N ATOM 771 CA PRO B 29 9.326 -13.960 -1.863 1.00 25.00 C ATOM 772 C PRO B 29 9.117 -15.451 -1.853 1.00 25.00 C ATOM 773 O PRO B 29 9.422 -16.193 -0.883 1.00 25.00 O ATOM 774 CB PRO B 29 10.395 -13.588 -0.845 1.00 25.00 C ATOM 775 CG PRO B 29 9.606 -13.399 0.405 1.00 25.00 C ATOM 776 CD PRO B 29 8.407 -12.643 -0.079 1.00 25.00 C ATOM 0 HA PRO B 29 9.569 -13.734 -2.901 1.00 25.00 H new ATOM 0 HB2 PRO B 29 11.142 -14.374 -0.737 1.00 25.00 H new ATOM 0 HB3 PRO B 29 10.926 -12.680 -1.130 1.00 25.00 H new ATOM 0 HG2 PRO B 29 9.330 -14.351 0.858 1.00 25.00 H new ATOM 0 HG3 PRO B 29 10.163 -12.839 1.156 1.00 25.00 H new ATOM 0 HD2 PRO B 29 7.544 -12.803 0.567 1.00 25.00 H new ATOM 0 HD3 PRO B 29 8.592 -11.569 -0.103 1.00 25.00 H new ATOM 784 N THR B 30 8.561 -15.952 -2.973 1.00 25.00 N ATOM 785 CA THR B 30 8.262 -17.381 -3.220 1.00 25.00 C ATOM 786 C THR B 30 8.176 -17.688 -4.715 1.00 25.00 C ATOM 787 O THR B 30 7.761 -16.922 -5.558 1.00 25.00 O ATOM 788 CB THR B 30 6.931 -17.797 -2.492 1.00 25.00 C ATOM 789 OG1 THR B 30 6.573 -19.106 -2.891 1.00 25.00 O ATOM 790 CG2 THR B 30 5.752 -16.836 -2.803 1.00 25.00 C ATOM 791 OXT THR B 30 8.681 -18.816 -5.031 1.00 25.00 O ATOM 0 H THR B 30 8.298 -15.356 -3.758 1.00 25.00 H new ATOM 0 HA THR B 30 9.084 -17.968 -2.811 1.00 25.00 H new ATOM 0 HB THR B 30 7.120 -17.749 -1.420 1.00 25.00 H new ATOM 0 HG1 THR B 30 5.745 -19.371 -2.439 1.00 25.00 H new ATOM 0 HG21 THR B 30 4.860 -17.172 -2.274 1.00 25.00 H new ATOM 0 HG22 THR B 30 6.009 -15.828 -2.478 1.00 25.00 H new ATOM 0 HG23 THR B 30 5.558 -16.833 -3.876 1.00 25.00 H new TER 800 THR B 30