USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ALA N :NH3+ -124:sc= -1.38 (180deg=-4.98!) USER MOD Set 1.2: B 14 GLN : amide:sc= -6.16! C(o=-7.5!,f=-8.1!) USER MOD Single : A 2 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.38) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -6.07! C(o=-6.1!,f=-8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -123:sc= -5.41! (180deg=-11.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -3.94! K(o=-3.9!,f=-2.1) USER MOD Single : B 1 ALA N :NH3+ -126:sc= -0.401 (180deg=-1.7) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -155:sc= -0.143 (180deg=-0.664) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= -0.295 (180deg=-0.304) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 144:sc= -6.76! (180deg=-12.8!) USER MOD Single : B 35 LYS NZ :NH3+ 159:sc= 0.0675 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -4.49! C(o=-4.5!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.907 1.873 -2.981 1.00 11.35 N ATOM 2 CA ALA A 1 -0.246 1.298 -1.822 1.00 71.45 C ATOM 3 C ALA A 1 0.798 2.283 -1.293 1.00 50.24 C ATOM 4 O ALA A 1 0.505 3.088 -0.410 1.00 63.01 O ATOM 5 CB ALA A 1 0.367 -0.052 -2.202 1.00 63.00 C ATOM 0 H1 ALA A 1 -1.934 1.894 -2.820 1.00 11.35 H new ATOM 0 H2 ALA A 1 -0.561 2.842 -3.133 1.00 11.35 H new ATOM 0 H3 ALA A 1 -0.700 1.296 -3.821 1.00 11.35 H new ATOM 0 HA ALA A 1 -0.964 1.118 -1.022 1.00 71.45 H new ATOM 0 HB1 ALA A 1 0.863 -0.484 -1.333 1.00 63.00 H new ATOM 0 HB2 ALA A 1 -0.419 -0.726 -2.543 1.00 63.00 H new ATOM 0 HB3 ALA A 1 1.094 0.091 -3.001 1.00 63.00 H new ATOM 11 N ASN A 2 1.993 2.188 -1.856 1.00 23.35 N ATOM 12 CA ASN A 2 3.082 3.062 -1.452 1.00 21.31 C ATOM 13 C ASN A 2 3.575 3.851 -2.666 1.00 62.24 C ATOM 14 O ASN A 2 3.941 3.265 -3.685 1.00 24.34 O ATOM 15 CB ASN A 2 4.260 2.256 -0.902 1.00 61.12 C ATOM 16 CG ASN A 2 4.076 1.963 0.588 1.00 33.41 C ATOM 17 OD1 ASN A 2 3.721 2.823 1.377 1.00 23.14 O ATOM 18 ND2 ASN A 2 4.336 0.703 0.928 1.00 4.15 N ATOM 0 H ASN A 2 2.232 1.520 -2.589 1.00 23.35 H new ATOM 0 HA ASN A 2 2.708 3.729 -0.676 1.00 21.31 H new ATOM 0 HB2 ASN A 2 4.353 1.319 -1.452 1.00 61.12 H new ATOM 0 HB3 ASN A 2 5.187 2.809 -1.056 1.00 61.12 H new ATOM 0 HD21 ASN A 2 4.242 0.407 1.900 1.00 4.15 H new ATOM 0 HD22 ASN A 2 4.629 0.033 0.217 1.00 4.15 H new ATOM 25 N GLU A 3 3.568 5.167 -2.520 1.00 15.50 N ATOM 26 CA GLU A 3 4.010 6.042 -3.592 1.00 40.13 C ATOM 27 C GLU A 3 5.477 5.769 -3.931 1.00 71.02 C ATOM 28 O GLU A 3 6.359 5.981 -3.101 1.00 1.24 O ATOM 29 CB GLU A 3 3.797 7.512 -3.225 1.00 1.30 C ATOM 30 CG GLU A 3 4.269 8.433 -4.351 1.00 21.00 C ATOM 31 CD GLU A 3 4.002 9.900 -4.008 1.00 11.03 C ATOM 32 OE1 GLU A 3 2.840 10.333 -3.995 1.00 24.04 O ATOM 33 OE2 GLU A 3 5.055 10.599 -3.747 1.00 41.41 O ATOM 0 H GLU A 3 3.263 5.649 -1.675 1.00 15.50 H new ATOM 0 HA GLU A 3 3.408 5.832 -4.476 1.00 40.13 H new ATOM 0 HB2 GLU A 3 2.741 7.691 -3.023 1.00 1.30 H new ATOM 0 HB3 GLU A 3 4.340 7.744 -2.309 1.00 1.30 H new ATOM 0 HG2 GLU A 3 5.335 8.285 -4.524 1.00 21.00 H new ATOM 0 HG3 GLU A 3 3.756 8.173 -5.277 1.00 21.00 H new ATOM 40 N GLY A 4 5.693 5.301 -5.151 1.00 13.31 N ATOM 41 CA GLY A 4 7.038 4.997 -5.609 1.00 74.32 C ATOM 42 C GLY A 4 7.281 3.486 -5.627 1.00 3.10 C ATOM 43 O GLY A 4 8.407 3.038 -5.843 1.00 14.15 O ATOM 0 H GLY A 4 4.959 5.125 -5.837 1.00 13.31 H new ATOM 0 HA2 GLY A 4 7.187 5.405 -6.609 1.00 74.32 H new ATOM 0 HA3 GLY A 4 7.766 5.479 -4.956 1.00 74.32 H new ATOM 47 N ASP A 5 6.208 2.743 -5.397 1.00 45.24 N ATOM 48 CA ASP A 5 6.293 1.293 -5.385 1.00 35.20 C ATOM 49 C ASP A 5 5.693 0.740 -6.680 1.00 23.20 C ATOM 50 O ASP A 5 4.756 1.316 -7.229 1.00 42.23 O ATOM 51 CB ASP A 5 5.506 0.706 -4.211 1.00 75.13 C ATOM 52 CG ASP A 5 6.207 0.790 -2.854 1.00 42.25 C ATOM 53 OD1 ASP A 5 7.009 1.702 -2.607 1.00 2.34 O ATOM 54 OD2 ASP A 5 5.898 -0.145 -2.022 1.00 24.43 O ATOM 0 H ASP A 5 5.276 3.118 -5.218 1.00 45.24 H new ATOM 0 HA ASP A 5 7.343 1.017 -5.290 1.00 35.20 H new ATOM 0 HB2 ASP A 5 4.549 1.223 -4.141 1.00 75.13 H new ATOM 0 HB3 ASP A 5 5.289 -0.340 -4.426 1.00 75.13 H new ATOM 59 N VAL A 6 6.259 -0.371 -7.129 1.00 55.32 N ATOM 60 CA VAL A 6 5.792 -1.008 -8.349 1.00 32.34 C ATOM 61 C VAL A 6 5.092 -2.322 -7.997 1.00 72.43 C ATOM 62 O VAL A 6 5.471 -2.994 -7.039 1.00 24.55 O ATOM 63 CB VAL A 6 6.958 -1.193 -9.322 1.00 12.23 C ATOM 64 CG1 VAL A 6 6.616 -2.225 -10.398 1.00 54.14 C ATOM 65 CG2 VAL A 6 7.364 0.142 -9.950 1.00 51.35 C ATOM 0 H VAL A 6 7.036 -0.846 -6.670 1.00 55.32 H new ATOM 0 HA VAL A 6 5.062 -0.376 -8.855 1.00 32.34 H new ATOM 0 HB VAL A 6 7.810 -1.570 -8.757 1.00 12.23 H new ATOM 0 HG11 VAL A 6 7.462 -2.337 -11.076 1.00 54.14 H new ATOM 0 HG12 VAL A 6 6.399 -3.184 -9.927 1.00 54.14 H new ATOM 0 HG13 VAL A 6 5.743 -1.890 -10.959 1.00 54.14 H new ATOM 0 HG21 VAL A 6 8.195 -0.017 -10.638 1.00 51.35 H new ATOM 0 HG22 VAL A 6 6.517 0.560 -10.494 1.00 51.35 H new ATOM 0 HG23 VAL A 6 7.669 0.835 -9.166 1.00 51.35 H new ATOM 75 N TYR A 7 4.084 -2.649 -8.792 1.00 32.43 N ATOM 76 CA TYR A 7 3.328 -3.871 -8.576 1.00 33.53 C ATOM 77 C TYR A 7 3.126 -4.630 -9.889 1.00 65.42 C ATOM 78 O TYR A 7 2.711 -4.047 -10.890 1.00 3.43 O ATOM 79 CB TYR A 7 1.964 -3.435 -8.038 1.00 51.32 C ATOM 80 CG TYR A 7 1.885 -3.380 -6.511 1.00 21.11 C ATOM 81 CD1 TYR A 7 2.682 -2.499 -5.810 1.00 51.43 C ATOM 82 CD2 TYR A 7 1.017 -4.213 -5.834 1.00 62.12 C ATOM 83 CE1 TYR A 7 2.608 -2.446 -4.373 1.00 61.25 C ATOM 84 CE2 TYR A 7 0.944 -4.162 -4.397 1.00 13.51 C ATOM 85 CZ TYR A 7 1.743 -3.281 -3.737 1.00 52.43 C ATOM 86 OH TYR A 7 1.673 -3.232 -2.380 1.00 71.12 O ATOM 0 H TYR A 7 3.773 -2.089 -9.586 1.00 32.43 H new ATOM 0 HA TYR A 7 3.856 -4.532 -7.889 1.00 33.53 H new ATOM 0 HB2 TYR A 7 1.725 -2.450 -8.439 1.00 51.32 H new ATOM 0 HB3 TYR A 7 1.203 -4.123 -8.406 1.00 51.32 H new ATOM 0 HD1 TYR A 7 3.362 -1.848 -6.340 1.00 51.43 H new ATOM 0 HD2 TYR A 7 0.393 -4.903 -6.382 1.00 62.12 H new ATOM 0 HE1 TYR A 7 3.225 -1.759 -3.813 1.00 61.25 H new ATOM 0 HE2 TYR A 7 0.270 -4.809 -3.855 1.00 13.51 H new ATOM 0 HH TYR A 7 1.013 -3.883 -2.063 1.00 71.12 H new ATOM 96 N LYS A 8 3.428 -5.920 -9.843 1.00 42.41 N ATOM 97 CA LYS A 8 3.285 -6.764 -11.017 1.00 3.50 C ATOM 98 C LYS A 8 2.079 -7.686 -10.833 1.00 14.02 C ATOM 99 O LYS A 8 1.617 -7.894 -9.711 1.00 43.25 O ATOM 100 CB LYS A 8 4.590 -7.509 -11.304 1.00 50.31 C ATOM 101 CG LYS A 8 4.672 -7.927 -12.774 1.00 22.10 C ATOM 102 CD LYS A 8 6.022 -8.575 -13.085 1.00 43.41 C ATOM 103 CE LYS A 8 5.965 -9.357 -14.399 1.00 4.35 C ATOM 104 NZ LYS A 8 7.253 -10.042 -14.651 1.00 35.24 N ATOM 0 H LYS A 8 3.771 -6.401 -9.011 1.00 42.41 H new ATOM 0 HA LYS A 8 3.091 -6.157 -11.901 1.00 3.50 H new ATOM 0 HB2 LYS A 8 5.439 -6.872 -11.056 1.00 50.31 H new ATOM 0 HB3 LYS A 8 4.657 -8.391 -10.667 1.00 50.31 H new ATOM 0 HG2 LYS A 8 3.868 -8.626 -13.002 1.00 22.10 H new ATOM 0 HG3 LYS A 8 4.527 -7.055 -13.412 1.00 22.10 H new ATOM 0 HD2 LYS A 8 6.792 -7.806 -13.148 1.00 43.41 H new ATOM 0 HD3 LYS A 8 6.305 -9.243 -12.272 1.00 43.41 H new ATOM 0 HE2 LYS A 8 5.159 -10.089 -14.358 1.00 4.35 H new ATOM 0 HE3 LYS A 8 5.739 -8.680 -15.223 1.00 4.35 H new ATOM 0 HZ1 LYS A 8 7.197 -10.568 -15.546 1.00 35.24 H new ATOM 0 HZ2 LYS A 8 8.015 -9.337 -14.710 1.00 35.24 H new ATOM 0 HZ3 LYS A 8 7.453 -10.703 -13.873 1.00 35.24 H new ATOM 117 N CYS A 9 1.602 -8.215 -11.950 1.00 70.45 N ATOM 118 CA CYS A 9 0.458 -9.110 -11.926 1.00 62.41 C ATOM 119 C CYS A 9 0.950 -10.508 -11.543 1.00 22.21 C ATOM 120 O CYS A 9 0.190 -11.311 -11.004 1.00 75.33 O ATOM 121 CB CYS A 9 -0.286 -9.113 -13.262 1.00 70.53 C ATOM 122 SG CYS A 9 -1.713 -10.261 -13.344 1.00 44.45 S ATOM 0 H CYS A 9 1.987 -8.041 -12.878 1.00 70.45 H new ATOM 0 HA CYS A 9 -0.263 -8.764 -11.185 1.00 62.41 H new ATOM 0 HB2 CYS A 9 -0.638 -8.102 -13.468 1.00 70.53 H new ATOM 0 HB3 CYS A 9 0.417 -9.373 -14.053 1.00 70.53 H new ATOM 127 N GLU A 10 2.218 -10.755 -11.836 1.00 25.20 N ATOM 128 CA GLU A 10 2.820 -12.041 -11.529 1.00 23.41 C ATOM 129 C GLU A 10 2.149 -13.149 -12.345 1.00 3.15 C ATOM 130 O GLU A 10 2.391 -14.332 -12.108 1.00 20.33 O ATOM 131 CB GLU A 10 2.742 -12.340 -10.031 1.00 21.24 C ATOM 132 CG GLU A 10 3.803 -11.554 -9.259 1.00 45.32 C ATOM 133 CD GLU A 10 5.144 -12.291 -9.265 1.00 30.20 C ATOM 134 OE1 GLU A 10 5.281 -13.334 -8.608 1.00 71.14 O ATOM 135 OE2 GLU A 10 6.064 -11.744 -9.985 1.00 30.02 O ATOM 0 H GLU A 10 2.845 -10.086 -12.283 1.00 25.20 H new ATOM 0 HA GLU A 10 3.874 -12.001 -11.803 1.00 23.41 H new ATOM 0 HB2 GLU A 10 1.751 -12.084 -9.657 1.00 21.24 H new ATOM 0 HB3 GLU A 10 2.881 -13.408 -9.862 1.00 21.24 H new ATOM 0 HG2 GLU A 10 3.925 -10.567 -9.704 1.00 45.32 H new ATOM 0 HG3 GLU A 10 3.472 -11.402 -8.232 1.00 45.32 H new ATOM 142 N LEU A 11 1.322 -12.727 -13.288 1.00 54.10 N ATOM 143 CA LEU A 11 0.614 -13.668 -14.140 1.00 23.41 C ATOM 144 C LEU A 11 0.805 -13.267 -15.604 1.00 43.23 C ATOM 145 O LEU A 11 1.722 -13.748 -16.269 1.00 10.53 O ATOM 146 CB LEU A 11 -0.852 -13.776 -13.718 1.00 21.22 C ATOM 147 CG LEU A 11 -1.125 -14.575 -12.440 1.00 54.44 C ATOM 148 CD1 LEU A 11 -2.626 -14.653 -12.155 1.00 34.51 C ATOM 149 CD2 LEU A 11 -0.481 -15.960 -12.512 1.00 31.01 C ATOM 0 H LEU A 11 1.125 -11.745 -13.482 1.00 54.10 H new ATOM 0 HA LEU A 11 1.028 -14.670 -14.027 1.00 23.41 H new ATOM 0 HB2 LEU A 11 -1.246 -12.769 -13.584 1.00 21.22 H new ATOM 0 HB3 LEU A 11 -1.412 -14.232 -14.535 1.00 21.22 H new ATOM 0 HG LEU A 11 -0.665 -14.051 -11.602 1.00 54.44 H new ATOM 0 HD11 LEU A 11 -2.794 -15.225 -11.243 1.00 34.51 H new ATOM 0 HD12 LEU A 11 -3.026 -13.647 -12.031 1.00 34.51 H new ATOM 0 HD13 LEU A 11 -3.130 -15.143 -12.988 1.00 34.51 H new ATOM 0 HD21 LEU A 11 -0.690 -16.507 -11.592 1.00 31.01 H new ATOM 0 HD22 LEU A 11 -0.890 -16.508 -13.361 1.00 31.01 H new ATOM 0 HD23 LEU A 11 0.597 -15.854 -12.634 1.00 31.01 H new ATOM 161 N CYS A 12 -0.076 -12.390 -16.063 1.00 61.12 N ATOM 162 CA CYS A 12 -0.016 -11.919 -17.437 1.00 1.12 C ATOM 163 C CYS A 12 1.367 -11.310 -17.676 1.00 63.34 C ATOM 164 O CYS A 12 1.910 -11.407 -18.776 1.00 72.14 O ATOM 165 CB CYS A 12 -1.138 -10.924 -17.743 1.00 63.22 C ATOM 166 SG CYS A 12 -1.085 -9.381 -16.759 1.00 72.31 S ATOM 0 H CYS A 12 -0.835 -11.993 -15.509 1.00 61.12 H new ATOM 0 HA CYS A 12 -0.166 -12.757 -18.118 1.00 1.12 H new ATOM 0 HB2 CYS A 12 -1.097 -10.665 -18.801 1.00 63.22 H new ATOM 0 HB3 CYS A 12 -2.096 -11.415 -17.572 1.00 63.22 H new ATOM 171 N GLY A 13 1.898 -10.698 -16.629 1.00 11.42 N ATOM 172 CA GLY A 13 3.208 -10.074 -16.711 1.00 60.35 C ATOM 173 C GLY A 13 3.084 -8.556 -16.853 1.00 13.33 C ATOM 174 O GLY A 13 3.873 -7.927 -17.556 1.00 65.51 O ATOM 0 H GLY A 13 1.445 -10.620 -15.718 1.00 11.42 H new ATOM 0 HA2 GLY A 13 3.785 -10.313 -15.818 1.00 60.35 H new ATOM 0 HA3 GLY A 13 3.755 -10.479 -17.562 1.00 60.35 H new ATOM 178 N GLN A 14 2.087 -8.009 -16.173 1.00 20.52 N ATOM 179 CA GLN A 14 1.850 -6.577 -16.213 1.00 1.21 C ATOM 180 C GLN A 14 2.568 -5.886 -15.052 1.00 61.42 C ATOM 181 O GLN A 14 2.479 -6.332 -13.909 1.00 51.42 O ATOM 182 CB GLN A 14 0.351 -6.269 -16.191 1.00 42.24 C ATOM 183 CG GLN A 14 0.095 -4.775 -16.405 1.00 45.31 C ATOM 184 CD GLN A 14 -1.206 -4.547 -17.177 1.00 41.43 C ATOM 185 OE1 GLN A 14 -1.211 -4.173 -18.339 1.00 51.42 O ATOM 186 NE2 GLN A 14 -2.305 -4.792 -16.469 1.00 43.24 N ATOM 0 H GLN A 14 1.434 -8.533 -15.591 1.00 20.52 H new ATOM 0 HA GLN A 14 2.255 -6.188 -17.147 1.00 1.21 H new ATOM 0 HB2 GLN A 14 -0.153 -6.843 -16.968 1.00 42.24 H new ATOM 0 HB3 GLN A 14 -0.074 -6.582 -15.237 1.00 42.24 H new ATOM 0 HG2 GLN A 14 0.043 -4.269 -15.441 1.00 45.31 H new ATOM 0 HG3 GLN A 14 0.929 -4.334 -16.952 1.00 45.31 H new ATOM 0 HE21 GLN A 14 -2.229 -5.103 -15.500 1.00 43.24 H new ATOM 0 HE22 GLN A 14 -3.224 -4.669 -16.895 1.00 43.24 H new ATOM 195 N VAL A 15 3.265 -4.810 -15.386 1.00 42.21 N ATOM 196 CA VAL A 15 3.999 -4.054 -14.385 1.00 52.54 C ATOM 197 C VAL A 15 3.487 -2.612 -14.365 1.00 25.10 C ATOM 198 O VAL A 15 3.438 -1.952 -15.403 1.00 32.53 O ATOM 199 CB VAL A 15 5.502 -4.151 -14.654 1.00 70.04 C ATOM 200 CG1 VAL A 15 6.306 -3.564 -13.492 1.00 63.11 C ATOM 201 CG2 VAL A 15 5.917 -5.597 -14.933 1.00 45.10 C ATOM 0 H VAL A 15 3.337 -4.444 -16.335 1.00 42.21 H new ATOM 0 HA VAL A 15 3.833 -4.472 -13.392 1.00 52.54 H new ATOM 0 HB VAL A 15 5.722 -3.562 -15.544 1.00 70.04 H new ATOM 0 HG11 VAL A 15 7.371 -3.646 -13.709 1.00 63.11 H new ATOM 0 HG12 VAL A 15 6.042 -2.515 -13.360 1.00 63.11 H new ATOM 0 HG13 VAL A 15 6.079 -4.113 -12.578 1.00 63.11 H new ATOM 0 HG21 VAL A 15 6.990 -5.638 -15.121 1.00 45.10 H new ATOM 0 HG22 VAL A 15 5.676 -6.218 -14.070 1.00 45.10 H new ATOM 0 HG23 VAL A 15 5.381 -5.967 -15.807 1.00 45.10 H new ATOM 211 N VAL A 16 3.119 -2.165 -13.173 1.00 71.04 N ATOM 212 CA VAL A 16 2.614 -0.814 -13.005 1.00 34.21 C ATOM 213 C VAL A 16 3.225 -0.198 -11.745 1.00 63.10 C ATOM 214 O VAL A 16 3.775 -0.910 -10.906 1.00 75.11 O ATOM 215 CB VAL A 16 1.083 -0.827 -12.981 1.00 61.22 C ATOM 216 CG1 VAL A 16 0.518 -1.229 -14.346 1.00 12.44 C ATOM 217 CG2 VAL A 16 0.560 -1.748 -11.877 1.00 72.40 C ATOM 0 H VAL A 16 3.161 -2.715 -12.315 1.00 71.04 H new ATOM 0 HA VAL A 16 2.908 -0.189 -13.848 1.00 34.21 H new ATOM 0 HB VAL A 16 0.742 0.185 -12.762 1.00 61.22 H new ATOM 0 HG11 VAL A 16 -0.571 -1.231 -14.303 1.00 12.44 H new ATOM 0 HG12 VAL A 16 0.850 -0.517 -15.101 1.00 12.44 H new ATOM 0 HG13 VAL A 16 0.872 -2.226 -14.607 1.00 12.44 H new ATOM 0 HG21 VAL A 16 -0.530 -1.739 -11.882 1.00 72.40 H new ATOM 0 HG22 VAL A 16 0.915 -2.764 -12.052 1.00 72.40 H new ATOM 0 HG23 VAL A 16 0.922 -1.398 -10.910 1.00 72.40 H new ATOM 227 N LYS A 17 3.109 1.119 -11.652 1.00 1.04 N ATOM 228 CA LYS A 17 3.644 1.837 -10.509 1.00 1.54 C ATOM 229 C LYS A 17 2.496 2.503 -9.746 1.00 71.53 C ATOM 230 O LYS A 17 1.414 2.700 -10.297 1.00 32.02 O ATOM 231 CB LYS A 17 4.734 2.816 -10.953 1.00 32.32 C ATOM 232 CG LYS A 17 5.432 3.444 -9.745 1.00 12.44 C ATOM 233 CD LYS A 17 6.448 4.499 -10.187 1.00 11.22 C ATOM 234 CE LYS A 17 7.873 4.071 -9.831 1.00 14.40 C ATOM 235 NZ LYS A 17 8.606 3.651 -11.045 1.00 45.54 N ATOM 0 H LYS A 17 2.652 1.707 -12.350 1.00 1.04 H new ATOM 0 HA LYS A 17 4.128 1.146 -9.819 1.00 1.54 H new ATOM 0 HB2 LYS A 17 5.466 2.295 -11.570 1.00 32.32 H new ATOM 0 HB3 LYS A 17 4.295 3.599 -11.571 1.00 32.32 H new ATOM 0 HG2 LYS A 17 4.691 3.900 -9.089 1.00 12.44 H new ATOM 0 HG3 LYS A 17 5.935 2.669 -9.167 1.00 12.44 H new ATOM 0 HD2 LYS A 17 6.370 4.656 -11.263 1.00 11.22 H new ATOM 0 HD3 LYS A 17 6.220 5.451 -9.708 1.00 11.22 H new ATOM 0 HE2 LYS A 17 8.397 4.896 -9.350 1.00 14.40 H new ATOM 0 HE3 LYS A 17 7.844 3.250 -9.114 1.00 14.40 H new ATOM 0 HZ1 LYS A 17 9.571 3.364 -10.786 1.00 45.54 H new ATOM 0 HZ2 LYS A 17 8.113 2.849 -11.488 1.00 45.54 H new ATOM 0 HZ3 LYS A 17 8.649 4.444 -11.716 1.00 45.54 H new ATOM 248 N VAL A 18 2.770 2.828 -8.492 1.00 41.12 N ATOM 249 CA VAL A 18 1.774 3.466 -7.649 1.00 3.21 C ATOM 250 C VAL A 18 2.133 4.943 -7.470 1.00 14.01 C ATOM 251 O VAL A 18 2.791 5.312 -6.499 1.00 45.20 O ATOM 252 CB VAL A 18 1.654 2.715 -6.321 1.00 73.25 C ATOM 253 CG1 VAL A 18 0.854 3.528 -5.302 1.00 10.42 C ATOM 254 CG2 VAL A 18 1.033 1.332 -6.527 1.00 54.31 C ATOM 0 H VAL A 18 3.668 2.661 -8.039 1.00 41.12 H new ATOM 0 HA VAL A 18 0.792 3.425 -8.121 1.00 3.21 H new ATOM 0 HB VAL A 18 2.659 2.575 -5.924 1.00 73.25 H new ATOM 0 HG11 VAL A 18 0.784 2.972 -4.367 1.00 10.42 H new ATOM 0 HG12 VAL A 18 1.355 4.479 -5.121 1.00 10.42 H new ATOM 0 HG13 VAL A 18 -0.148 3.713 -5.690 1.00 10.42 H new ATOM 0 HG21 VAL A 18 0.959 0.820 -5.568 1.00 54.31 H new ATOM 0 HG22 VAL A 18 0.038 1.441 -6.958 1.00 54.31 H new ATOM 0 HG23 VAL A 18 1.659 0.749 -7.202 1.00 54.31 H new ATOM 264 N LEU A 19 1.683 5.747 -8.422 1.00 64.43 N ATOM 265 CA LEU A 19 1.950 7.175 -8.382 1.00 73.02 C ATOM 266 C LEU A 19 1.290 7.778 -7.140 1.00 30.41 C ATOM 267 O LEU A 19 1.878 8.623 -6.469 1.00 2.33 O ATOM 268 CB LEU A 19 1.516 7.838 -9.692 1.00 11.15 C ATOM 269 CG LEU A 19 2.625 8.513 -10.501 1.00 33.41 C ATOM 270 CD1 LEU A 19 3.115 7.599 -11.627 1.00 4.03 C ATOM 271 CD2 LEU A 19 2.169 9.875 -11.027 1.00 14.11 C ATOM 0 H LEU A 19 1.136 5.437 -9.225 1.00 64.43 H new ATOM 0 HA LEU A 19 3.021 7.360 -8.297 1.00 73.02 H new ATOM 0 HB2 LEU A 19 1.044 7.082 -10.320 1.00 11.15 H new ATOM 0 HB3 LEU A 19 0.754 8.584 -9.464 1.00 11.15 H new ATOM 0 HG LEU A 19 3.472 8.691 -9.838 1.00 33.41 H new ATOM 0 HD11 LEU A 19 3.903 8.102 -12.187 1.00 4.03 H new ATOM 0 HD12 LEU A 19 3.506 6.675 -11.201 1.00 4.03 H new ATOM 0 HD13 LEU A 19 2.285 7.368 -12.295 1.00 4.03 H new ATOM 0 HD21 LEU A 19 2.976 10.333 -11.598 1.00 14.11 H new ATOM 0 HD22 LEU A 19 1.298 9.744 -11.670 1.00 14.11 H new ATOM 0 HD23 LEU A 19 1.907 10.520 -10.188 1.00 14.11 H new ATOM 283 N GLU A 20 0.076 7.318 -6.872 1.00 3.20 N ATOM 284 CA GLU A 20 -0.670 7.801 -5.722 1.00 50.35 C ATOM 285 C GLU A 20 -1.494 6.667 -5.110 1.00 22.13 C ATOM 286 O GLU A 20 -2.396 6.133 -5.754 1.00 21.55 O ATOM 287 CB GLU A 20 -1.563 8.983 -6.106 1.00 73.32 C ATOM 288 CG GLU A 20 -0.756 10.280 -6.176 1.00 12.20 C ATOM 289 CD GLU A 20 -0.793 10.874 -7.585 1.00 70.00 C ATOM 290 OE1 GLU A 20 -0.147 10.342 -8.499 1.00 4.03 O ATOM 291 OE2 GLU A 20 -1.527 11.927 -7.714 1.00 73.25 O ATOM 0 H GLU A 20 -0.409 6.616 -7.431 1.00 3.20 H new ATOM 0 HA GLU A 20 0.040 8.152 -4.973 1.00 50.35 H new ATOM 0 HB2 GLU A 20 -2.033 8.790 -7.071 1.00 73.32 H new ATOM 0 HB3 GLU A 20 -2.366 9.089 -5.376 1.00 73.32 H new ATOM 0 HG2 GLU A 20 -1.157 11.001 -5.463 1.00 12.20 H new ATOM 0 HG3 GLU A 20 0.277 10.086 -5.886 1.00 12.20 H new ATOM 298 N GLU A 21 -1.155 6.333 -3.874 1.00 31.21 N ATOM 299 CA GLU A 21 -1.852 5.272 -3.167 1.00 71.21 C ATOM 300 C GLU A 21 -3.309 5.666 -2.921 1.00 71.25 C ATOM 301 O GLU A 21 -3.624 6.849 -2.794 1.00 24.30 O ATOM 302 CB GLU A 21 -1.147 4.934 -1.852 1.00 24.24 C ATOM 303 CG GLU A 21 -1.203 6.114 -0.880 1.00 53.12 C ATOM 304 CD GLU A 21 -0.836 5.675 0.538 1.00 2.15 C ATOM 305 OE1 GLU A 21 -1.207 4.570 0.962 1.00 72.33 O ATOM 306 OE2 GLU A 21 -0.137 6.527 1.210 1.00 51.34 O ATOM 0 H GLU A 21 -0.406 6.779 -3.343 1.00 31.21 H new ATOM 0 HA GLU A 21 -1.838 4.377 -3.790 1.00 71.21 H new ATOM 0 HB2 GLU A 21 -1.616 4.062 -1.398 1.00 24.24 H new ATOM 0 HB3 GLU A 21 -0.108 4.670 -2.050 1.00 24.24 H new ATOM 0 HG2 GLU A 21 -0.519 6.895 -1.211 1.00 53.12 H new ATOM 0 HG3 GLU A 21 -2.204 6.545 -0.883 1.00 53.12 H new ATOM 313 N GLY A 22 -4.162 4.653 -2.864 1.00 2.12 N ATOM 314 CA GLY A 22 -5.579 4.878 -2.636 1.00 44.42 C ATOM 315 C GLY A 22 -6.147 3.853 -1.654 1.00 25.12 C ATOM 316 O GLY A 22 -5.394 3.150 -0.979 1.00 53.45 O ATOM 0 H GLY A 22 -3.898 3.674 -2.972 1.00 2.12 H new ATOM 0 HA2 GLY A 22 -5.733 5.884 -2.246 1.00 44.42 H new ATOM 0 HA3 GLY A 22 -6.117 4.817 -3.582 1.00 44.42 H new ATOM 320 N GLY A 23 -7.470 3.799 -1.602 1.00 2.14 N ATOM 321 CA GLY A 23 -8.147 2.872 -0.712 1.00 71.34 C ATOM 322 C GLY A 23 -8.717 1.685 -1.490 1.00 34.32 C ATOM 323 O GLY A 23 -9.830 1.236 -1.216 1.00 62.04 O ATOM 0 H GLY A 23 -8.091 4.383 -2.162 1.00 2.14 H new ATOM 0 HA2 GLY A 23 -7.450 2.514 0.045 1.00 71.34 H new ATOM 0 HA3 GLY A 23 -8.951 3.388 -0.187 1.00 71.34 H new ATOM 327 N GLY A 24 -7.930 1.209 -2.443 1.00 72.22 N ATOM 328 CA GLY A 24 -8.344 0.081 -3.262 1.00 52.12 C ATOM 329 C GLY A 24 -7.138 -0.756 -3.691 1.00 64.41 C ATOM 330 O GLY A 24 -6.070 -0.215 -3.974 1.00 22.11 O ATOM 0 H GLY A 24 -7.008 1.583 -2.667 1.00 72.22 H new ATOM 0 HA2 GLY A 24 -9.043 -0.541 -2.703 1.00 52.12 H new ATOM 0 HA3 GLY A 24 -8.873 0.442 -4.144 1.00 52.12 H new ATOM 334 N THR A 25 -7.349 -2.064 -3.724 1.00 25.43 N ATOM 335 CA THR A 25 -6.291 -2.983 -4.113 1.00 14.10 C ATOM 336 C THR A 25 -6.280 -3.170 -5.632 1.00 4.23 C ATOM 337 O THR A 25 -7.334 -3.268 -6.257 1.00 51.33 O ATOM 338 CB THR A 25 -6.493 -4.288 -3.342 1.00 24.44 C ATOM 339 OG1 THR A 25 -5.328 -5.053 -3.643 1.00 14.11 O ATOM 340 CG2 THR A 25 -7.643 -5.128 -3.900 1.00 53.15 C ATOM 0 H THR A 25 -8.236 -2.509 -3.488 1.00 25.43 H new ATOM 0 HA THR A 25 -5.308 -2.587 -3.858 1.00 14.10 H new ATOM 0 HB THR A 25 -6.685 -4.062 -2.293 1.00 24.44 H new ATOM 0 HG1 THR A 25 -5.375 -5.916 -3.181 1.00 14.11 H new ATOM 0 HG21 THR A 25 -7.742 -6.043 -3.316 1.00 53.15 H new ATOM 0 HG22 THR A 25 -8.571 -4.559 -3.843 1.00 53.15 H new ATOM 0 HG23 THR A 25 -7.437 -5.382 -4.940 1.00 53.15 H new ATOM 348 N LEU A 26 -5.075 -3.214 -6.181 1.00 33.13 N ATOM 349 CA LEU A 26 -4.912 -3.388 -7.614 1.00 64.30 C ATOM 350 C LEU A 26 -5.066 -4.869 -7.965 1.00 31.33 C ATOM 351 O LEU A 26 -4.356 -5.716 -7.424 1.00 21.24 O ATOM 352 CB LEU A 26 -3.588 -2.780 -8.080 1.00 63.51 C ATOM 353 CG LEU A 26 -3.180 -1.467 -7.410 1.00 50.54 C ATOM 354 CD1 LEU A 26 -1.689 -1.186 -7.615 1.00 32.15 C ATOM 355 CD2 LEU A 26 -4.053 -0.308 -7.898 1.00 63.33 C ATOM 0 H LEU A 26 -4.202 -3.132 -5.659 1.00 33.13 H new ATOM 0 HA LEU A 26 -5.691 -2.850 -8.154 1.00 64.30 H new ATOM 0 HB2 LEU A 26 -2.797 -3.511 -7.913 1.00 63.51 H new ATOM 0 HB3 LEU A 26 -3.646 -2.613 -9.156 1.00 63.51 H new ATOM 0 HG LEU A 26 -3.345 -1.566 -6.337 1.00 50.54 H new ATOM 0 HD11 LEU A 26 -1.426 -0.247 -7.129 1.00 32.15 H new ATOM 0 HD12 LEU A 26 -1.103 -1.996 -7.181 1.00 32.15 H new ATOM 0 HD13 LEU A 26 -1.475 -1.115 -8.681 1.00 32.15 H new ATOM 0 HD21 LEU A 26 -3.742 0.614 -7.406 1.00 63.33 H new ATOM 0 HD22 LEU A 26 -3.943 -0.199 -8.977 1.00 63.33 H new ATOM 0 HD23 LEU A 26 -5.097 -0.513 -7.659 1.00 63.33 H new ATOM 367 N VAL A 27 -5.997 -5.137 -8.868 1.00 75.03 N ATOM 368 CA VAL A 27 -6.253 -6.502 -9.298 1.00 15.24 C ATOM 369 C VAL A 27 -5.964 -6.624 -10.795 1.00 24.24 C ATOM 370 O VAL A 27 -6.038 -5.639 -11.527 1.00 53.01 O ATOM 371 CB VAL A 27 -7.683 -6.907 -8.931 1.00 10.45 C ATOM 372 CG1 VAL A 27 -8.200 -8.002 -9.865 1.00 62.12 C ATOM 373 CG2 VAL A 27 -7.769 -7.347 -7.468 1.00 22.21 C ATOM 0 H VAL A 27 -6.584 -4.432 -9.314 1.00 75.03 H new ATOM 0 HA VAL A 27 -5.589 -7.195 -8.781 1.00 15.24 H new ATOM 0 HB VAL A 27 -8.322 -6.033 -9.056 1.00 10.45 H new ATOM 0 HG11 VAL A 27 -9.218 -8.271 -9.582 1.00 62.12 H new ATOM 0 HG12 VAL A 27 -8.193 -7.637 -10.892 1.00 62.12 H new ATOM 0 HG13 VAL A 27 -7.558 -8.879 -9.787 1.00 62.12 H new ATOM 0 HG21 VAL A 27 -8.795 -7.629 -7.233 1.00 22.21 H new ATOM 0 HG22 VAL A 27 -7.111 -8.201 -7.306 1.00 22.21 H new ATOM 0 HG23 VAL A 27 -7.462 -6.524 -6.822 1.00 22.21 H new ATOM 383 N CYS A 28 -5.637 -7.841 -11.204 1.00 74.42 N ATOM 384 CA CYS A 28 -5.335 -8.105 -12.601 1.00 53.43 C ATOM 385 C CYS A 28 -5.490 -9.606 -12.851 1.00 5.32 C ATOM 386 O CYS A 28 -4.959 -10.422 -12.098 1.00 13.13 O ATOM 387 CB CYS A 28 -3.941 -7.603 -12.983 1.00 53.33 C ATOM 388 SG CYS A 28 -3.614 -7.543 -14.782 1.00 45.32 S ATOM 0 H CYS A 28 -5.575 -8.655 -10.593 1.00 74.42 H new ATOM 0 HA CYS A 28 -6.032 -7.559 -13.236 1.00 53.43 H new ATOM 0 HB2 CYS A 28 -3.804 -6.604 -12.569 1.00 53.33 H new ATOM 0 HB3 CYS A 28 -3.197 -8.247 -12.514 1.00 53.33 H new ATOM 393 N CYS A 29 -6.218 -9.926 -13.910 1.00 42.14 N ATOM 394 CA CYS A 29 -6.448 -11.315 -14.268 1.00 54.35 C ATOM 395 C CYS A 29 -7.162 -12.000 -13.101 1.00 63.41 C ATOM 396 O CYS A 29 -6.845 -13.138 -12.758 1.00 61.53 O ATOM 397 CB CYS A 29 -5.146 -12.027 -14.640 1.00 14.05 C ATOM 398 SG CYS A 29 -4.234 -11.279 -16.039 1.00 11.34 S ATOM 0 H CYS A 29 -6.657 -9.247 -14.532 1.00 42.14 H new ATOM 0 HA CYS A 29 -7.077 -11.365 -15.156 1.00 54.35 H new ATOM 0 HB2 CYS A 29 -4.494 -12.042 -13.766 1.00 14.05 H new ATOM 0 HB3 CYS A 29 -5.373 -13.064 -14.886 1.00 14.05 H new ATOM 403 N GLY A 30 -8.110 -11.278 -12.523 1.00 11.24 N ATOM 404 CA GLY A 30 -8.869 -11.802 -11.401 1.00 73.41 C ATOM 405 C GLY A 30 -7.944 -12.197 -10.248 1.00 11.42 C ATOM 406 O GLY A 30 -8.281 -13.068 -9.447 1.00 42.13 O ATOM 0 H GLY A 30 -8.370 -10.335 -12.811 1.00 11.24 H new ATOM 0 HA2 GLY A 30 -9.583 -11.052 -11.059 1.00 73.41 H new ATOM 0 HA3 GLY A 30 -9.447 -12.669 -11.722 1.00 73.41 H new ATOM 410 N GLU A 31 -6.796 -11.537 -10.200 1.00 64.31 N ATOM 411 CA GLU A 31 -5.819 -11.808 -9.159 1.00 34.43 C ATOM 412 C GLU A 31 -5.393 -10.506 -8.480 1.00 11.41 C ATOM 413 O GLU A 31 -5.587 -9.422 -9.028 1.00 73.54 O ATOM 414 CB GLU A 31 -4.609 -12.554 -9.724 1.00 5.22 C ATOM 415 CG GLU A 31 -3.474 -12.612 -8.698 1.00 71.45 C ATOM 416 CD GLU A 31 -2.312 -13.463 -9.216 1.00 3.32 C ATOM 417 OE1 GLU A 31 -2.358 -14.698 -9.121 1.00 4.25 O ATOM 418 OE2 GLU A 31 -1.336 -12.796 -9.733 1.00 30.33 O ATOM 0 H GLU A 31 -6.520 -10.815 -10.866 1.00 64.31 H new ATOM 0 HA GLU A 31 -6.283 -12.450 -8.410 1.00 34.43 H new ATOM 0 HB2 GLU A 31 -4.900 -13.565 -10.007 1.00 5.22 H new ATOM 0 HB3 GLU A 31 -4.261 -12.057 -10.630 1.00 5.22 H new ATOM 0 HG2 GLU A 31 -3.123 -11.603 -8.481 1.00 71.45 H new ATOM 0 HG3 GLU A 31 -3.846 -13.028 -7.762 1.00 71.45 H new ATOM 425 N ASP A 32 -4.820 -10.654 -7.294 1.00 22.21 N ATOM 426 CA ASP A 32 -4.364 -9.503 -6.534 1.00 11.24 C ATOM 427 C ASP A 32 -2.915 -9.189 -6.912 1.00 12.22 C ATOM 428 O ASP A 32 -1.995 -9.888 -6.493 1.00 22.14 O ATOM 429 CB ASP A 32 -4.410 -9.782 -5.031 1.00 33.34 C ATOM 430 CG ASP A 32 -3.766 -11.101 -4.598 1.00 11.50 C ATOM 431 OD1 ASP A 32 -4.535 -12.134 -4.672 1.00 34.35 O ATOM 432 OD2 ASP A 32 -2.589 -11.139 -4.210 1.00 31.03 O ATOM 0 H ASP A 32 -4.661 -11.554 -6.841 1.00 22.21 H new ATOM 0 HA ASP A 32 -5.021 -8.665 -6.766 1.00 11.24 H new ATOM 0 HB2 ASP A 32 -3.913 -8.964 -4.510 1.00 33.34 H new ATOM 0 HB3 ASP A 32 -5.451 -9.780 -4.708 1.00 33.34 H new ATOM 437 N MET A 33 -2.758 -8.135 -7.699 1.00 73.13 N ATOM 438 CA MET A 33 -1.437 -7.718 -8.138 1.00 73.45 C ATOM 439 C MET A 33 -0.432 -7.780 -6.986 1.00 50.50 C ATOM 440 O MET A 33 -0.729 -7.343 -5.875 1.00 62.04 O ATOM 441 CB MET A 33 -1.505 -6.291 -8.682 1.00 11.53 C ATOM 442 CG MET A 33 -1.655 -6.289 -10.204 1.00 32.31 C ATOM 443 SD MET A 33 -0.550 -5.087 -10.926 1.00 21.24 S ATOM 444 CE MET A 33 -1.451 -3.587 -10.574 1.00 40.00 C ATOM 0 H MET A 33 -3.524 -7.557 -8.044 1.00 73.13 H new ATOM 0 HA MET A 33 -1.104 -8.398 -8.922 1.00 73.45 H new ATOM 0 HB2 MET A 33 -2.346 -5.766 -8.230 1.00 11.53 H new ATOM 0 HB3 MET A 33 -0.602 -5.748 -8.402 1.00 11.53 H new ATOM 0 HG2 MET A 33 -1.436 -7.280 -10.600 1.00 32.31 H new ATOM 0 HG3 MET A 33 -2.685 -6.057 -10.476 1.00 32.31 H new ATOM 0 HE1 MET A 33 -1.647 -3.053 -11.504 1.00 40.00 H new ATOM 0 HE2 MET A 33 -2.397 -3.835 -10.092 1.00 40.00 H new ATOM 0 HE3 MET A 33 -0.861 -2.955 -9.911 1.00 40.00 H new ATOM 454 N VAL A 34 0.736 -8.325 -7.291 1.00 32.31 N ATOM 455 CA VAL A 34 1.787 -8.450 -6.294 1.00 40.43 C ATOM 456 C VAL A 34 2.684 -7.211 -6.349 1.00 31.33 C ATOM 457 O VAL A 34 2.646 -6.456 -7.319 1.00 25.10 O ATOM 458 CB VAL A 34 2.556 -9.755 -6.505 1.00 42.22 C ATOM 459 CG1 VAL A 34 3.432 -10.076 -5.292 1.00 65.32 C ATOM 460 CG2 VAL A 34 1.602 -10.910 -6.813 1.00 42.02 C ATOM 0 H VAL A 34 0.979 -8.685 -8.214 1.00 32.31 H new ATOM 0 HA VAL A 34 1.360 -8.499 -5.292 1.00 40.43 H new ATOM 0 HB VAL A 34 3.211 -9.623 -7.366 1.00 42.22 H new ATOM 0 HG11 VAL A 34 3.968 -11.009 -5.467 1.00 65.32 H new ATOM 0 HG12 VAL A 34 4.148 -9.269 -5.137 1.00 65.32 H new ATOM 0 HG13 VAL A 34 2.804 -10.179 -4.407 1.00 65.32 H new ATOM 0 HG21 VAL A 34 2.175 -11.826 -6.959 1.00 42.02 H new ATOM 0 HG22 VAL A 34 0.911 -11.043 -5.981 1.00 42.02 H new ATOM 0 HG23 VAL A 34 1.040 -10.686 -7.719 1.00 42.02 H new ATOM 470 N LYS A 35 3.469 -7.042 -5.296 1.00 31.05 N ATOM 471 CA LYS A 35 4.374 -5.907 -5.211 1.00 32.51 C ATOM 472 C LYS A 35 5.812 -6.394 -5.402 1.00 61.20 C ATOM 473 O LYS A 35 6.179 -7.464 -4.918 1.00 44.22 O ATOM 474 CB LYS A 35 4.152 -5.141 -3.906 1.00 31.32 C ATOM 475 CG LYS A 35 5.034 -5.697 -2.787 1.00 33.31 C ATOM 476 CD LYS A 35 6.373 -4.959 -2.724 1.00 12.11 C ATOM 477 CE LYS A 35 6.253 -3.676 -1.900 1.00 42.51 C ATOM 478 NZ LYS A 35 6.605 -3.934 -0.485 1.00 61.24 N ATOM 0 H LYS A 35 3.498 -7.672 -4.494 1.00 31.05 H new ATOM 0 HA LYS A 35 4.169 -5.194 -6.010 1.00 32.51 H new ATOM 0 HB2 LYS A 35 4.374 -4.085 -4.058 1.00 31.32 H new ATOM 0 HB3 LYS A 35 3.104 -5.208 -3.615 1.00 31.32 H new ATOM 0 HG2 LYS A 35 4.518 -5.603 -1.832 1.00 33.31 H new ATOM 0 HG3 LYS A 35 5.208 -6.760 -2.951 1.00 33.31 H new ATOM 0 HD2 LYS A 35 7.130 -5.608 -2.284 1.00 12.11 H new ATOM 0 HD3 LYS A 35 6.707 -4.718 -3.733 1.00 12.11 H new ATOM 0 HE2 LYS A 35 6.911 -2.910 -2.311 1.00 42.51 H new ATOM 0 HE3 LYS A 35 5.236 -3.290 -1.963 1.00 42.51 H new ATOM 0 HZ1 LYS A 35 6.518 -3.053 0.061 1.00 61.24 H new ATOM 0 HZ2 LYS A 35 5.961 -4.649 -0.092 1.00 61.24 H new ATOM 0 HZ3 LYS A 35 7.584 -4.281 -0.428 1.00 61.24 H new ATOM 491 N GLN A 36 6.588 -5.584 -6.108 1.00 73.43 N ATOM 492 CA GLN A 36 7.978 -5.918 -6.368 1.00 71.34 C ATOM 493 C GLN A 36 8.858 -5.481 -5.196 1.00 50.42 C ATOM 494 O GLN A 36 10.079 -5.619 -5.247 1.00 23.23 O ATOM 495 CB GLN A 36 8.457 -5.289 -7.678 1.00 54.04 C ATOM 496 CG GLN A 36 7.369 -5.365 -8.753 1.00 11.34 C ATOM 497 CD GLN A 36 7.306 -6.762 -9.371 1.00 34.30 C ATOM 498 OE1 GLN A 36 8.168 -7.173 -10.130 1.00 23.31 O ATOM 499 NE2 GLN A 36 6.239 -7.468 -9.007 1.00 54.30 N ATOM 0 H GLN A 36 6.280 -4.697 -6.508 1.00 73.43 H new ATOM 0 HA GLN A 36 8.058 -7.000 -6.472 1.00 71.34 H new ATOM 0 HB2 GLN A 36 8.732 -4.248 -7.507 1.00 54.04 H new ATOM 0 HB3 GLN A 36 9.353 -5.802 -8.026 1.00 54.04 H new ATOM 0 HG2 GLN A 36 6.403 -5.113 -8.316 1.00 11.34 H new ATOM 0 HG3 GLN A 36 7.569 -4.628 -9.531 1.00 11.34 H new ATOM 0 HE21 GLN A 36 5.554 -7.064 -8.368 1.00 54.30 H new ATOM 0 HE22 GLN A 36 6.106 -8.413 -9.367 1.00 54.30 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -0.878 -1.823 -21.719 1.00 21.42 N ATOM 510 CA ALA B 1 -1.664 -0.714 -22.231 1.00 21.14 C ATOM 511 C ALA B 1 -0.727 0.426 -22.634 1.00 72.15 C ATOM 512 O ALA B 1 -0.775 1.509 -22.053 1.00 14.24 O ATOM 513 CB ALA B 1 -2.686 -0.284 -21.176 1.00 60.05 C ATOM 0 H1 ALA B 1 -1.121 -2.690 -22.239 1.00 21.42 H new ATOM 0 H2 ALA B 1 0.134 -1.618 -21.843 1.00 21.42 H new ATOM 0 H3 ALA B 1 -1.083 -1.956 -20.708 1.00 21.42 H new ATOM 0 HA ALA B 1 -2.219 -1.014 -23.120 1.00 21.14 H new ATOM 0 HB1 ALA B 1 -3.276 0.548 -21.559 1.00 60.05 H new ATOM 0 HB2 ALA B 1 -3.345 -1.121 -20.946 1.00 60.05 H new ATOM 0 HB3 ALA B 1 -2.165 0.027 -20.271 1.00 60.05 H new ATOM 519 N ASN B 2 0.102 0.144 -23.628 1.00 24.52 N ATOM 520 CA ASN B 2 1.049 1.132 -24.116 1.00 4.53 C ATOM 521 C ASN B 2 1.917 1.618 -22.954 1.00 1.21 C ATOM 522 O ASN B 2 1.444 2.345 -22.081 1.00 71.34 O ATOM 523 CB ASN B 2 0.324 2.345 -24.704 1.00 11.44 C ATOM 524 CG ASN B 2 -0.694 1.916 -25.762 1.00 61.34 C ATOM 525 OD1 ASN B 2 -1.779 1.447 -25.463 1.00 71.23 O ATOM 526 ND2 ASN B 2 -0.282 2.100 -27.014 1.00 75.23 N ATOM 0 H ASN B 2 0.138 -0.755 -24.109 1.00 24.52 H new ATOM 0 HA ASN B 2 1.656 0.664 -24.890 1.00 4.53 H new ATOM 0 HB2 ASN B 2 -0.182 2.892 -23.908 1.00 11.44 H new ATOM 0 HB3 ASN B 2 1.050 3.027 -25.148 1.00 11.44 H new ATOM 0 HD21 ASN B 2 -0.888 1.843 -27.793 1.00 75.23 H new ATOM 0 HD22 ASN B 2 0.640 2.498 -27.194 1.00 75.23 H new ATOM 533 N GLU B 3 3.174 1.198 -22.980 1.00 54.24 N ATOM 534 CA GLU B 3 4.113 1.582 -21.939 1.00 71.23 C ATOM 535 C GLU B 3 4.119 3.101 -21.763 1.00 53.13 C ATOM 536 O GLU B 3 3.814 3.839 -22.699 1.00 54.13 O ATOM 537 CB GLU B 3 5.517 1.059 -22.249 1.00 1.32 C ATOM 538 CG GLU B 3 6.532 1.576 -21.227 1.00 15.32 C ATOM 539 CD GLU B 3 7.934 1.040 -21.526 1.00 54.14 C ATOM 540 OE1 GLU B 3 8.253 0.757 -22.690 1.00 50.03 O ATOM 541 OE2 GLU B 3 8.703 0.921 -20.498 1.00 32.34 O ATOM 0 H GLU B 3 3.564 0.596 -23.705 1.00 54.24 H new ATOM 0 HA GLU B 3 3.791 1.130 -21.001 1.00 71.23 H new ATOM 0 HB2 GLU B 3 5.513 -0.031 -22.243 1.00 1.32 H new ATOM 0 HB3 GLU B 3 5.813 1.371 -23.251 1.00 1.32 H new ATOM 0 HG2 GLU B 3 6.545 2.666 -21.241 1.00 15.32 H new ATOM 0 HG3 GLU B 3 6.230 1.274 -20.224 1.00 15.32 H new ATOM 548 N GLY B 4 4.470 3.524 -20.558 1.00 61.20 N ATOM 549 CA GLY B 4 4.520 4.943 -20.248 1.00 23.22 C ATOM 550 C GLY B 4 3.113 5.510 -20.052 1.00 12.21 C ATOM 551 O GLY B 4 2.946 6.716 -19.872 1.00 71.41 O ATOM 0 H GLY B 4 4.723 2.909 -19.784 1.00 61.20 H new ATOM 0 HA2 GLY B 4 5.109 5.101 -19.345 1.00 23.22 H new ATOM 0 HA3 GLY B 4 5.023 5.478 -21.054 1.00 23.22 H new ATOM 555 N ASP B 5 2.137 4.616 -20.093 1.00 73.25 N ATOM 556 CA ASP B 5 0.749 5.013 -19.923 1.00 22.15 C ATOM 557 C ASP B 5 0.460 5.212 -18.433 1.00 72.53 C ATOM 558 O ASP B 5 1.148 4.649 -17.583 1.00 75.10 O ATOM 559 CB ASP B 5 -0.200 3.936 -20.450 1.00 11.44 C ATOM 560 CG ASP B 5 -0.616 4.099 -21.913 1.00 42.00 C ATOM 561 OD1 ASP B 5 0.267 4.656 -22.671 1.00 71.54 O ATOM 562 OD2 ASP B 5 -1.727 3.714 -22.308 1.00 42.31 O ATOM 0 H ASP B 5 2.279 3.617 -20.242 1.00 73.25 H new ATOM 0 HA ASP B 5 0.591 5.936 -20.481 1.00 22.15 H new ATOM 0 HB2 ASP B 5 0.277 2.963 -20.330 1.00 11.44 H new ATOM 0 HB3 ASP B 5 -1.097 3.930 -19.831 1.00 11.44 H new ATOM 567 N VAL B 6 -0.559 6.014 -18.164 1.00 32.13 N ATOM 568 CA VAL B 6 -0.948 6.295 -16.792 1.00 63.44 C ATOM 569 C VAL B 6 -2.439 6.001 -16.619 1.00 75.44 C ATOM 570 O VAL B 6 -3.222 6.175 -17.552 1.00 72.13 O ATOM 571 CB VAL B 6 -0.575 7.732 -16.426 1.00 0.21 C ATOM 572 CG1 VAL B 6 -1.660 8.377 -15.561 1.00 73.11 C ATOM 573 CG2 VAL B 6 0.785 7.786 -15.727 1.00 21.22 C ATOM 0 H VAL B 6 -1.127 6.478 -18.872 1.00 32.13 H new ATOM 0 HA VAL B 6 -0.407 5.648 -16.101 1.00 63.44 H new ATOM 0 HB VAL B 6 -0.499 8.303 -17.351 1.00 0.21 H new ATOM 0 HG11 VAL B 6 -1.370 9.398 -15.315 1.00 73.11 H new ATOM 0 HG12 VAL B 6 -2.602 8.390 -16.109 1.00 73.11 H new ATOM 0 HG13 VAL B 6 -1.782 7.803 -14.642 1.00 73.11 H new ATOM 0 HG21 VAL B 6 1.025 8.820 -15.478 1.00 21.22 H new ATOM 0 HG22 VAL B 6 0.749 7.192 -14.814 1.00 21.22 H new ATOM 0 HG23 VAL B 6 1.551 7.385 -16.390 1.00 21.22 H new ATOM 583 N TYR B 7 -2.788 5.561 -15.419 1.00 55.13 N ATOM 584 CA TYR B 7 -4.172 5.242 -15.112 1.00 63.02 C ATOM 585 C TYR B 7 -4.576 5.804 -13.748 1.00 5.23 C ATOM 586 O TYR B 7 -3.892 5.574 -12.751 1.00 12.14 O ATOM 587 CB TYR B 7 -4.252 3.715 -15.064 1.00 52.13 C ATOM 588 CG TYR B 7 -4.646 3.070 -16.395 1.00 50.53 C ATOM 589 CD1 TYR B 7 -3.831 3.214 -17.499 1.00 43.00 C ATOM 590 CD2 TYR B 7 -5.817 2.346 -16.491 1.00 44.04 C ATOM 591 CE1 TYR B 7 -4.202 2.607 -18.752 1.00 42.52 C ATOM 592 CE2 TYR B 7 -6.187 1.740 -17.744 1.00 14.03 C ATOM 593 CZ TYR B 7 -5.361 1.900 -18.812 1.00 15.31 C ATOM 594 OH TYR B 7 -5.712 1.328 -19.995 1.00 21.40 O ATOM 0 H TYR B 7 -2.136 5.418 -14.648 1.00 55.13 H new ATOM 0 HA TYR B 7 -4.839 5.673 -15.859 1.00 63.02 H new ATOM 0 HB2 TYR B 7 -3.285 3.320 -14.753 1.00 52.13 H new ATOM 0 HB3 TYR B 7 -4.975 3.423 -14.302 1.00 52.13 H new ATOM 0 HD1 TYR B 7 -2.915 3.782 -17.424 1.00 43.00 H new ATOM 0 HD2 TYR B 7 -6.455 2.234 -15.627 1.00 44.04 H new ATOM 0 HE1 TYR B 7 -3.573 2.712 -19.624 1.00 42.52 H new ATOM 0 HE2 TYR B 7 -7.101 1.171 -17.833 1.00 14.03 H new ATOM 0 HH TYR B 7 -6.563 0.854 -19.889 1.00 21.40 H new ATOM 604 N LYS B 8 -5.682 6.532 -13.746 1.00 75.45 N ATOM 605 CA LYS B 8 -6.184 7.129 -12.521 1.00 55.04 C ATOM 606 C LYS B 8 -7.626 6.670 -12.288 1.00 22.41 C ATOM 607 O LYS B 8 -8.366 6.428 -13.240 1.00 44.10 O ATOM 608 CB LYS B 8 -6.023 8.650 -12.560 1.00 70.32 C ATOM 609 CG LYS B 8 -5.527 9.184 -11.216 1.00 21.15 C ATOM 610 CD LYS B 8 -6.701 9.498 -10.284 1.00 64.13 C ATOM 611 CE LYS B 8 -6.892 11.009 -10.134 1.00 20.44 C ATOM 612 NZ LYS B 8 -5.697 11.623 -9.514 1.00 34.11 N ATOM 0 H LYS B 8 -6.245 6.722 -14.575 1.00 75.45 H new ATOM 0 HA LYS B 8 -5.598 6.791 -11.666 1.00 55.04 H new ATOM 0 HB2 LYS B 8 -5.320 8.925 -13.346 1.00 70.32 H new ATOM 0 HB3 LYS B 8 -6.977 9.114 -12.810 1.00 70.32 H new ATOM 0 HG2 LYS B 8 -4.873 8.449 -10.748 1.00 21.15 H new ATOM 0 HG3 LYS B 8 -4.933 10.084 -11.375 1.00 21.15 H new ATOM 0 HD2 LYS B 8 -7.613 9.050 -10.678 1.00 64.13 H new ATOM 0 HD3 LYS B 8 -6.523 9.051 -9.306 1.00 64.13 H new ATOM 0 HE2 LYS B 8 -7.073 11.457 -11.111 1.00 20.44 H new ATOM 0 HE3 LYS B 8 -7.771 11.212 -9.522 1.00 20.44 H new ATOM 0 HZ1 LYS B 8 -5.968 12.508 -9.039 1.00 34.11 H new ATOM 0 HZ2 LYS B 8 -5.291 10.966 -8.817 1.00 34.11 H new ATOM 0 HZ3 LYS B 8 -4.991 11.827 -10.249 1.00 34.11 H new ATOM 625 N CYS B 9 -7.980 6.563 -11.016 1.00 12.34 N ATOM 626 CA CYS B 9 -9.319 6.137 -10.645 1.00 12.20 C ATOM 627 C CYS B 9 -10.187 7.384 -10.468 1.00 14.34 C ATOM 628 O CYS B 9 -9.678 8.503 -10.459 1.00 55.33 O ATOM 629 CB CYS B 9 -9.308 5.266 -9.388 1.00 23.54 C ATOM 630 SG CYS B 9 -10.863 4.349 -9.076 1.00 30.45 S ATOM 0 H CYS B 9 -7.363 6.764 -10.229 1.00 12.34 H new ATOM 0 HA CYS B 9 -9.737 5.513 -11.435 1.00 12.20 H new ATOM 0 HB2 CYS B 9 -8.490 4.550 -9.466 1.00 23.54 H new ATOM 0 HB3 CYS B 9 -9.097 5.899 -8.526 1.00 23.54 H new ATOM 635 N GLU B 10 -11.485 7.148 -10.330 1.00 23.20 N ATOM 636 CA GLU B 10 -12.428 8.238 -10.152 1.00 52.14 C ATOM 637 C GLU B 10 -13.053 8.179 -8.757 1.00 71.30 C ATOM 638 O GLU B 10 -13.833 9.052 -8.384 1.00 13.41 O ATOM 639 CB GLU B 10 -13.507 8.211 -11.238 1.00 33.44 C ATOM 640 CG GLU B 10 -12.904 8.484 -12.617 1.00 14.03 C ATOM 641 CD GLU B 10 -12.338 9.903 -12.696 1.00 63.12 C ATOM 642 OE1 GLU B 10 -11.182 10.060 -12.145 1.00 14.34 O ATOM 643 OE2 GLU B 10 -12.984 10.798 -13.261 1.00 63.42 O ATOM 0 H GLU B 10 -11.904 6.218 -10.338 1.00 23.20 H new ATOM 0 HA GLU B 10 -11.887 9.179 -10.245 1.00 52.14 H new ATOM 0 HB2 GLU B 10 -14.002 7.240 -11.239 1.00 33.44 H new ATOM 0 HB3 GLU B 10 -14.270 8.957 -11.016 1.00 33.44 H new ATOM 0 HG2 GLU B 10 -12.114 7.762 -12.822 1.00 14.03 H new ATOM 0 HG3 GLU B 10 -13.666 8.349 -13.384 1.00 14.03 H new ATOM 650 N LEU B 11 -12.687 7.136 -8.024 1.00 3.51 N ATOM 651 CA LEU B 11 -13.201 6.952 -6.678 1.00 11.24 C ATOM 652 C LEU B 11 -12.039 6.987 -5.683 1.00 63.24 C ATOM 653 O LEU B 11 -11.865 7.967 -4.961 1.00 44.25 O ATOM 654 CB LEU B 11 -14.042 5.676 -6.597 1.00 1.14 C ATOM 655 CG LEU B 11 -14.219 4.904 -7.906 1.00 2.32 C ATOM 656 CD1 LEU B 11 -14.491 3.423 -7.637 1.00 42.12 C ATOM 657 CD2 LEU B 11 -15.308 5.539 -8.773 1.00 42.23 C ATOM 0 H LEU B 11 -12.041 6.411 -8.337 1.00 3.51 H new ATOM 0 HA LEU B 11 -13.873 7.768 -6.412 1.00 11.24 H new ATOM 0 HB2 LEU B 11 -13.586 5.010 -5.865 1.00 1.14 H new ATOM 0 HB3 LEU B 11 -15.029 5.939 -6.217 1.00 1.14 H new ATOM 0 HG LEU B 11 -13.286 4.963 -8.466 1.00 2.32 H new ATOM 0 HD11 LEU B 11 -14.613 2.898 -8.584 1.00 42.12 H new ATOM 0 HD12 LEU B 11 -13.653 2.993 -7.089 1.00 42.12 H new ATOM 0 HD13 LEU B 11 -15.401 3.322 -7.046 1.00 42.12 H new ATOM 0 HD21 LEU B 11 -15.414 4.971 -9.698 1.00 42.23 H new ATOM 0 HD22 LEU B 11 -16.254 5.532 -8.232 1.00 42.23 H new ATOM 0 HD23 LEU B 11 -15.033 6.567 -9.008 1.00 42.23 H new ATOM 669 N CYS B 12 -11.274 5.905 -5.677 1.00 54.11 N ATOM 670 CA CYS B 12 -10.134 5.799 -4.783 1.00 63.31 C ATOM 671 C CYS B 12 -9.115 6.873 -5.174 1.00 55.11 C ATOM 672 O CYS B 12 -8.196 7.168 -4.412 1.00 14.11 O ATOM 673 CB CYS B 12 -9.523 4.397 -4.809 1.00 22.14 C ATOM 674 SG CYS B 12 -8.763 3.920 -6.404 1.00 1.14 S ATOM 0 H CYS B 12 -11.422 5.094 -6.277 1.00 54.11 H new ATOM 0 HA CYS B 12 -10.458 5.964 -3.755 1.00 63.31 H new ATOM 0 HB2 CYS B 12 -8.766 4.332 -4.028 1.00 22.14 H new ATOM 0 HB3 CYS B 12 -10.299 3.673 -4.562 1.00 22.14 H new ATOM 679 N GLY B 13 -9.315 7.427 -6.361 1.00 64.25 N ATOM 680 CA GLY B 13 -8.425 8.461 -6.863 1.00 21.23 C ATOM 681 C GLY B 13 -6.968 7.994 -6.831 1.00 53.23 C ATOM 682 O GLY B 13 -6.070 8.772 -6.514 1.00 51.32 O ATOM 0 H GLY B 13 -10.080 7.180 -6.989 1.00 64.25 H new ATOM 0 HA2 GLY B 13 -8.704 8.722 -7.884 1.00 21.23 H new ATOM 0 HA3 GLY B 13 -8.535 9.363 -6.262 1.00 21.23 H new ATOM 686 N GLN B 14 -6.780 6.726 -7.165 1.00 74.42 N ATOM 687 CA GLN B 14 -5.448 6.146 -7.179 1.00 65.23 C ATOM 688 C GLN B 14 -4.778 6.386 -8.534 1.00 60.01 C ATOM 689 O GLN B 14 -5.432 6.320 -9.573 1.00 60.44 O ATOM 690 CB GLN B 14 -5.496 4.653 -6.849 1.00 23.00 C ATOM 691 CG GLN B 14 -4.145 3.987 -7.122 1.00 75.55 C ATOM 692 CD GLN B 14 -3.815 2.955 -6.042 1.00 42.03 C ATOM 693 OE1 GLN B 14 -2.956 3.154 -5.199 1.00 51.25 O ATOM 694 NE2 GLN B 14 -4.541 1.843 -6.115 1.00 74.30 N ATOM 0 H GLN B 14 -7.528 6.084 -7.428 1.00 74.42 H new ATOM 0 HA GLN B 14 -4.852 6.636 -6.409 1.00 65.23 H new ATOM 0 HB2 GLN B 14 -5.768 4.517 -5.802 1.00 23.00 H new ATOM 0 HB3 GLN B 14 -6.271 4.170 -7.445 1.00 23.00 H new ATOM 0 HG2 GLN B 14 -4.165 3.503 -8.099 1.00 75.55 H new ATOM 0 HG3 GLN B 14 -3.362 4.745 -7.157 1.00 75.55 H new ATOM 0 HE21 GLN B 14 -5.245 1.740 -6.846 1.00 74.30 H new ATOM 0 HE22 GLN B 14 -4.394 1.093 -5.440 1.00 74.30 H new ATOM 703 N VAL B 15 -3.484 6.662 -8.478 1.00 11.21 N ATOM 704 CA VAL B 15 -2.719 6.913 -9.687 1.00 73.43 C ATOM 705 C VAL B 15 -1.657 5.824 -9.849 1.00 43.51 C ATOM 706 O VAL B 15 -0.936 5.509 -8.903 1.00 12.21 O ATOM 707 CB VAL B 15 -2.128 8.324 -9.650 1.00 34.32 C ATOM 708 CG1 VAL B 15 -1.469 8.678 -10.984 1.00 72.31 C ATOM 709 CG2 VAL B 15 -3.194 9.355 -9.274 1.00 33.44 C ATOM 0 H VAL B 15 -2.945 6.717 -7.614 1.00 11.21 H new ATOM 0 HA VAL B 15 -3.366 6.869 -10.563 1.00 73.43 H new ATOM 0 HB VAL B 15 -1.357 8.344 -8.880 1.00 34.32 H new ATOM 0 HG11 VAL B 15 -1.057 9.686 -10.930 1.00 72.31 H new ATOM 0 HG12 VAL B 15 -0.668 7.969 -11.193 1.00 72.31 H new ATOM 0 HG13 VAL B 15 -2.212 8.631 -11.780 1.00 72.31 H new ATOM 0 HG21 VAL B 15 -2.748 10.349 -9.255 1.00 33.44 H new ATOM 0 HG22 VAL B 15 -3.998 9.332 -10.010 1.00 33.44 H new ATOM 0 HG23 VAL B 15 -3.597 9.119 -8.289 1.00 33.44 H new ATOM 719 N VAL B 16 -1.593 5.278 -11.055 1.00 12.22 N ATOM 720 CA VAL B 16 -0.630 4.232 -11.352 1.00 72.34 C ATOM 721 C VAL B 16 -0.117 4.409 -12.783 1.00 30.51 C ATOM 722 O VAL B 16 -0.713 5.137 -13.575 1.00 1.34 O ATOM 723 CB VAL B 16 -1.259 2.858 -11.109 1.00 35.54 C ATOM 724 CG1 VAL B 16 -1.522 2.632 -9.618 1.00 64.33 C ATOM 725 CG2 VAL B 16 -2.544 2.691 -11.923 1.00 63.10 C ATOM 0 H VAL B 16 -2.192 5.541 -11.837 1.00 12.22 H new ATOM 0 HA VAL B 16 0.230 4.304 -10.686 1.00 72.34 H new ATOM 0 HB VAL B 16 -0.550 2.101 -11.444 1.00 35.54 H new ATOM 0 HG11 VAL B 16 -1.969 1.649 -9.472 1.00 64.33 H new ATOM 0 HG12 VAL B 16 -0.581 2.688 -9.070 1.00 64.33 H new ATOM 0 HG13 VAL B 16 -2.203 3.399 -9.248 1.00 64.33 H new ATOM 0 HG21 VAL B 16 -2.970 1.706 -11.732 1.00 63.10 H new ATOM 0 HG22 VAL B 16 -3.261 3.459 -11.633 1.00 63.10 H new ATOM 0 HG23 VAL B 16 -2.317 2.788 -12.985 1.00 63.10 H new ATOM 735 N LYS B 17 0.984 3.729 -13.070 1.00 53.45 N ATOM 736 CA LYS B 17 1.585 3.803 -14.392 1.00 13.04 C ATOM 737 C LYS B 17 1.721 2.390 -14.964 1.00 2.23 C ATOM 738 O LYS B 17 1.775 1.417 -14.215 1.00 23.40 O ATOM 739 CB LYS B 17 2.905 4.575 -14.338 1.00 71.53 C ATOM 740 CG LYS B 17 3.679 4.430 -15.650 1.00 75.33 C ATOM 741 CD LYS B 17 5.164 4.735 -15.447 1.00 72.40 C ATOM 742 CE LYS B 17 6.036 3.607 -16.003 1.00 32.50 C ATOM 743 NZ LYS B 17 6.077 3.664 -17.481 1.00 51.22 N ATOM 0 H LYS B 17 1.475 3.125 -12.411 1.00 53.45 H new ATOM 0 HA LYS B 17 0.943 4.363 -15.072 1.00 13.04 H new ATOM 0 HB2 LYS B 17 2.706 5.629 -14.143 1.00 71.53 H new ATOM 0 HB3 LYS B 17 3.512 4.207 -13.511 1.00 71.53 H new ATOM 0 HG2 LYS B 17 3.562 3.417 -16.036 1.00 75.33 H new ATOM 0 HG3 LYS B 17 3.264 5.106 -16.398 1.00 75.33 H new ATOM 0 HD2 LYS B 17 5.417 5.673 -15.941 1.00 72.40 H new ATOM 0 HD3 LYS B 17 5.370 4.869 -14.385 1.00 72.40 H new ATOM 0 HE2 LYS B 17 7.046 3.689 -15.602 1.00 32.50 H new ATOM 0 HE3 LYS B 17 5.642 2.643 -15.681 1.00 32.50 H new ATOM 0 HZ1 LYS B 17 6.673 2.892 -17.842 1.00 51.22 H new ATOM 0 HZ2 LYS B 17 5.113 3.563 -17.859 1.00 51.22 H new ATOM 0 HZ3 LYS B 17 6.474 4.577 -17.782 1.00 51.22 H new ATOM 756 N VAL B 18 1.773 2.325 -16.285 1.00 70.34 N ATOM 757 CA VAL B 18 1.902 1.048 -16.967 1.00 62.23 C ATOM 758 C VAL B 18 3.360 0.842 -17.384 1.00 0.15 C ATOM 759 O VAL B 18 3.730 1.129 -18.522 1.00 22.15 O ATOM 760 CB VAL B 18 0.929 0.983 -18.146 1.00 30.32 C ATOM 761 CG1 VAL B 18 1.191 -0.255 -19.006 1.00 34.44 C ATOM 762 CG2 VAL B 18 -0.522 1.017 -17.661 1.00 40.21 C ATOM 0 H VAL B 18 1.728 3.136 -16.902 1.00 70.34 H new ATOM 0 HA VAL B 18 1.636 0.230 -16.298 1.00 62.23 H new ATOM 0 HB VAL B 18 1.096 1.863 -18.767 1.00 30.32 H new ATOM 0 HG11 VAL B 18 0.486 -0.277 -19.837 1.00 34.44 H new ATOM 0 HG12 VAL B 18 2.209 -0.219 -19.395 1.00 34.44 H new ATOM 0 HG13 VAL B 18 1.065 -1.152 -18.400 1.00 34.44 H new ATOM 0 HG21 VAL B 18 -1.193 0.970 -18.518 1.00 40.21 H new ATOM 0 HG22 VAL B 18 -0.707 0.165 -17.007 1.00 40.21 H new ATOM 0 HG23 VAL B 18 -0.700 1.941 -17.111 1.00 40.21 H new ATOM 772 N LEU B 19 4.148 0.347 -16.441 1.00 15.52 N ATOM 773 CA LEU B 19 5.557 0.101 -16.695 1.00 74.21 C ATOM 774 C LEU B 19 5.694 -0.885 -17.858 1.00 23.54 C ATOM 775 O LEU B 19 6.501 -0.674 -18.762 1.00 43.01 O ATOM 776 CB LEU B 19 6.260 -0.356 -15.415 1.00 50.43 C ATOM 777 CG LEU B 19 7.784 -0.217 -15.403 1.00 12.22 C ATOM 778 CD1 LEU B 19 8.278 0.283 -14.043 1.00 72.02 C ATOM 779 CD2 LEU B 19 8.457 -1.530 -15.809 1.00 41.33 C ATOM 0 H LEU B 19 3.837 0.109 -15.499 1.00 15.52 H new ATOM 0 HA LEU B 19 6.058 1.021 -16.995 1.00 74.21 H new ATOM 0 HB2 LEU B 19 5.856 0.214 -14.578 1.00 50.43 H new ATOM 0 HB3 LEU B 19 6.009 -1.402 -15.239 1.00 50.43 H new ATOM 0 HG LEU B 19 8.065 0.532 -16.143 1.00 12.22 H new ATOM 0 HD11 LEU B 19 9.364 0.373 -14.061 1.00 72.02 H new ATOM 0 HD12 LEU B 19 7.837 1.257 -13.831 1.00 72.02 H new ATOM 0 HD13 LEU B 19 7.986 -0.424 -13.267 1.00 72.02 H new ATOM 0 HD21 LEU B 19 9.540 -1.404 -15.792 1.00 41.33 H new ATOM 0 HD22 LEU B 19 8.172 -2.316 -15.110 1.00 41.33 H new ATOM 0 HD23 LEU B 19 8.139 -1.806 -16.814 1.00 41.33 H new ATOM 791 N GLU B 20 4.896 -1.941 -17.795 1.00 54.21 N ATOM 792 CA GLU B 20 4.919 -2.959 -18.831 1.00 65.11 C ATOM 793 C GLU B 20 3.494 -3.396 -19.178 1.00 43.22 C ATOM 794 O GLU B 20 2.725 -3.775 -18.295 1.00 65.35 O ATOM 795 CB GLU B 20 5.771 -4.156 -18.404 1.00 41.12 C ATOM 796 CG GLU B 20 4.983 -5.461 -18.528 1.00 31.40 C ATOM 797 CD GLU B 20 5.919 -6.672 -18.496 1.00 0.30 C ATOM 798 OE1 GLU B 20 6.797 -6.753 -17.624 1.00 2.20 O ATOM 799 OE2 GLU B 20 5.708 -7.547 -19.419 1.00 25.54 O ATOM 0 H GLU B 20 4.229 -2.113 -17.042 1.00 54.21 H new ATOM 0 HA GLU B 20 5.374 -2.531 -19.724 1.00 65.11 H new ATOM 0 HB2 GLU B 20 6.667 -4.208 -19.022 1.00 41.12 H new ATOM 0 HB3 GLU B 20 6.101 -4.023 -17.374 1.00 41.12 H new ATOM 0 HG2 GLU B 20 4.261 -5.533 -17.714 1.00 31.40 H new ATOM 0 HG3 GLU B 20 4.415 -5.460 -19.458 1.00 31.40 H new ATOM 806 N GLU B 21 3.185 -3.327 -20.464 1.00 43.22 N ATOM 807 CA GLU B 21 1.866 -3.711 -20.939 1.00 11.45 C ATOM 808 C GLU B 21 1.405 -4.993 -20.243 1.00 52.15 C ATOM 809 O GLU B 21 2.206 -5.690 -19.622 1.00 15.01 O ATOM 810 CB GLU B 21 1.858 -3.878 -22.459 1.00 22.51 C ATOM 811 CG GLU B 21 2.296 -2.588 -23.156 1.00 74.12 C ATOM 812 CD GLU B 21 3.212 -2.889 -24.343 1.00 23.12 C ATOM 813 OE1 GLU B 21 4.426 -3.060 -24.161 1.00 24.12 O ATOM 814 OE2 GLU B 21 2.620 -2.945 -25.488 1.00 23.41 O ATOM 0 H GLU B 21 3.825 -3.011 -21.192 1.00 43.22 H new ATOM 0 HA GLU B 21 1.165 -2.914 -20.691 1.00 11.45 H new ATOM 0 HB2 GLU B 21 2.525 -4.693 -22.742 1.00 22.51 H new ATOM 0 HB3 GLU B 21 0.858 -4.154 -22.793 1.00 22.51 H new ATOM 0 HG2 GLU B 21 1.418 -2.040 -23.499 1.00 74.12 H new ATOM 0 HG3 GLU B 21 2.815 -1.945 -22.445 1.00 74.12 H new ATOM 821 N GLY B 22 0.114 -5.266 -20.371 1.00 44.03 N ATOM 822 CA GLY B 22 -0.464 -6.452 -19.763 1.00 2.04 C ATOM 823 C GLY B 22 -1.791 -6.818 -20.428 1.00 34.14 C ATOM 824 O GLY B 22 -2.611 -5.945 -20.707 1.00 53.12 O ATOM 0 H GLY B 22 -0.547 -4.686 -20.887 1.00 44.03 H new ATOM 0 HA2 GLY B 22 0.233 -7.286 -19.850 1.00 2.04 H new ATOM 0 HA3 GLY B 22 -0.622 -6.279 -18.699 1.00 2.04 H new ATOM 828 N GLY B 23 -1.964 -8.111 -20.662 1.00 24.35 N ATOM 829 CA GLY B 23 -3.178 -8.603 -21.290 1.00 35.14 C ATOM 830 C GLY B 23 -4.260 -8.884 -20.245 1.00 31.54 C ATOM 831 O GLY B 23 -4.895 -9.937 -20.271 1.00 72.34 O ATOM 0 H GLY B 23 -1.283 -8.833 -20.428 1.00 24.35 H new ATOM 0 HA2 GLY B 23 -3.543 -7.869 -22.009 1.00 35.14 H new ATOM 0 HA3 GLY B 23 -2.960 -9.514 -21.847 1.00 35.14 H new ATOM 835 N GLY B 24 -4.435 -7.925 -19.347 1.00 53.45 N ATOM 836 CA GLY B 24 -5.429 -8.056 -18.296 1.00 12.32 C ATOM 837 C GLY B 24 -6.130 -6.721 -18.034 1.00 20.34 C ATOM 838 O GLY B 24 -6.218 -5.877 -18.925 1.00 12.33 O ATOM 0 H GLY B 24 -3.905 -7.054 -19.326 1.00 53.45 H new ATOM 0 HA2 GLY B 24 -6.166 -8.808 -18.579 1.00 12.32 H new ATOM 0 HA3 GLY B 24 -4.952 -8.406 -17.381 1.00 12.32 H new ATOM 842 N THR B 25 -6.610 -6.572 -16.808 1.00 73.31 N ATOM 843 CA THR B 25 -7.300 -5.354 -16.418 1.00 71.32 C ATOM 844 C THR B 25 -6.703 -4.794 -15.126 1.00 74.32 C ATOM 845 O THR B 25 -6.155 -5.541 -14.316 1.00 13.31 O ATOM 846 CB THR B 25 -8.794 -5.671 -16.310 1.00 44.21 C ATOM 847 OG1 THR B 25 -9.221 -5.795 -17.664 1.00 2.33 O ATOM 848 CG2 THR B 25 -9.605 -4.492 -15.770 1.00 44.30 C ATOM 0 H THR B 25 -6.535 -7.274 -16.072 1.00 73.31 H new ATOM 0 HA THR B 25 -7.172 -4.570 -17.165 1.00 71.32 H new ATOM 0 HB THR B 25 -8.936 -6.536 -15.662 1.00 44.21 H new ATOM 0 HG1 THR B 25 -10.179 -6.002 -17.687 1.00 2.33 H new ATOM 0 HG21 THR B 25 -10.657 -4.770 -15.713 1.00 44.30 H new ATOM 0 HG22 THR B 25 -9.245 -4.228 -14.775 1.00 44.30 H new ATOM 0 HG23 THR B 25 -9.491 -3.637 -16.436 1.00 44.30 H new ATOM 856 N LEU B 26 -6.830 -3.484 -14.973 1.00 14.14 N ATOM 857 CA LEU B 26 -6.310 -2.815 -13.792 1.00 50.53 C ATOM 858 C LEU B 26 -7.471 -2.443 -12.868 1.00 71.53 C ATOM 859 O LEU B 26 -7.956 -1.312 -12.897 1.00 65.41 O ATOM 860 CB LEU B 26 -5.437 -1.623 -14.193 1.00 72.14 C ATOM 861 CG LEU B 26 -4.164 -1.957 -14.973 1.00 3.14 C ATOM 862 CD1 LEU B 26 -3.330 -0.699 -15.224 1.00 73.10 C ATOM 863 CD2 LEU B 26 -3.357 -3.046 -14.264 1.00 65.22 C ATOM 0 H LEU B 26 -7.285 -2.868 -15.647 1.00 14.14 H new ATOM 0 HA LEU B 26 -5.658 -3.485 -13.231 1.00 50.53 H new ATOM 0 HB2 LEU B 26 -6.040 -0.942 -14.794 1.00 72.14 H new ATOM 0 HB3 LEU B 26 -5.154 -1.084 -13.289 1.00 72.14 H new ATOM 0 HG LEU B 26 -4.453 -2.352 -15.947 1.00 3.14 H new ATOM 0 HD11 LEU B 26 -2.431 -0.964 -15.780 1.00 73.10 H new ATOM 0 HD12 LEU B 26 -3.916 0.017 -15.801 1.00 73.10 H new ATOM 0 HD13 LEU B 26 -3.049 -0.253 -14.270 1.00 73.10 H new ATOM 0 HD21 LEU B 26 -2.457 -3.265 -14.839 1.00 65.22 H new ATOM 0 HD22 LEU B 26 -3.077 -2.701 -13.269 1.00 65.22 H new ATOM 0 HD23 LEU B 26 -3.961 -3.949 -14.178 1.00 65.22 H new ATOM 875 N VAL B 27 -7.885 -3.417 -12.070 1.00 61.02 N ATOM 876 CA VAL B 27 -8.980 -3.206 -11.140 1.00 33.44 C ATOM 877 C VAL B 27 -8.461 -2.463 -9.907 1.00 52.25 C ATOM 878 O VAL B 27 -7.269 -2.509 -9.607 1.00 51.30 O ATOM 879 CB VAL B 27 -9.640 -4.544 -10.797 1.00 13.23 C ATOM 880 CG1 VAL B 27 -10.246 -4.512 -9.392 1.00 20.42 C ATOM 881 CG2 VAL B 27 -10.695 -4.918 -11.840 1.00 25.43 C ATOM 0 H VAL B 27 -7.481 -4.354 -12.049 1.00 61.02 H new ATOM 0 HA VAL B 27 -9.752 -2.584 -11.594 1.00 33.44 H new ATOM 0 HB VAL B 27 -8.867 -5.312 -10.811 1.00 13.23 H new ATOM 0 HG11 VAL B 27 -10.708 -5.474 -9.173 1.00 20.42 H new ATOM 0 HG12 VAL B 27 -9.462 -4.312 -8.662 1.00 20.42 H new ATOM 0 HG13 VAL B 27 -11.000 -3.727 -9.339 1.00 20.42 H new ATOM 0 HG21 VAL B 27 -11.149 -5.872 -11.573 1.00 25.43 H new ATOM 0 HG22 VAL B 27 -11.465 -4.147 -11.872 1.00 25.43 H new ATOM 0 HG23 VAL B 27 -10.224 -5.002 -12.820 1.00 25.43 H new ATOM 891 N CYS B 28 -9.381 -1.795 -9.227 1.00 12.40 N ATOM 892 CA CYS B 28 -9.032 -1.042 -8.035 1.00 22.35 C ATOM 893 C CYS B 28 -10.326 -0.623 -7.334 1.00 25.22 C ATOM 894 O CYS B 28 -11.269 -0.174 -7.982 1.00 61.45 O ATOM 895 CB CYS B 28 -8.146 0.161 -8.364 1.00 64.34 C ATOM 896 SG CYS B 28 -9.010 1.548 -9.185 1.00 15.44 S ATOM 0 H CYS B 28 -10.369 -1.760 -9.479 1.00 12.40 H new ATOM 0 HA CYS B 28 -8.444 -1.670 -7.365 1.00 22.35 H new ATOM 0 HB2 CYS B 28 -7.697 0.527 -7.441 1.00 64.34 H new ATOM 0 HB3 CYS B 28 -7.330 -0.171 -9.006 1.00 64.34 H new ATOM 901 N CYS B 29 -10.328 -0.786 -6.019 1.00 54.52 N ATOM 902 CA CYS B 29 -11.491 -0.430 -5.223 1.00 22.11 C ATOM 903 C CYS B 29 -12.732 -1.018 -5.897 1.00 52.52 C ATOM 904 O CYS B 29 -13.608 -0.279 -6.346 1.00 41.21 O ATOM 905 CB CYS B 29 -11.606 1.084 -5.036 1.00 22.54 C ATOM 906 SG CYS B 29 -12.057 2.013 -6.546 1.00 62.12 S ATOM 0 H CYS B 29 -9.543 -1.160 -5.485 1.00 54.52 H new ATOM 0 HA CYS B 29 -11.391 -0.847 -4.221 1.00 22.11 H new ATOM 0 HB2 CYS B 29 -12.352 1.285 -4.267 1.00 22.54 H new ATOM 0 HB3 CYS B 29 -10.654 1.463 -4.664 1.00 22.54 H new ATOM 911 N GLY B 30 -12.769 -2.341 -5.948 1.00 64.22 N ATOM 912 CA GLY B 30 -13.888 -3.036 -6.560 1.00 14.41 C ATOM 913 C GLY B 30 -14.355 -2.316 -7.827 1.00 22.41 C ATOM 914 O GLY B 30 -15.549 -2.277 -8.119 1.00 42.44 O ATOM 0 H GLY B 30 -12.041 -2.951 -5.575 1.00 64.22 H new ATOM 0 HA2 GLY B 30 -13.596 -4.057 -6.805 1.00 14.41 H new ATOM 0 HA3 GLY B 30 -14.712 -3.101 -5.850 1.00 14.41 H new ATOM 918 N GLU B 31 -13.387 -1.765 -8.545 1.00 12.41 N ATOM 919 CA GLU B 31 -13.684 -1.048 -9.774 1.00 43.14 C ATOM 920 C GLU B 31 -12.589 -1.301 -10.814 1.00 35.34 C ATOM 921 O GLU B 31 -11.792 -2.225 -10.666 1.00 65.45 O ATOM 922 CB GLU B 31 -13.851 0.450 -9.509 1.00 71.32 C ATOM 923 CG GLU B 31 -15.293 0.894 -9.766 1.00 45.15 C ATOM 924 CD GLU B 31 -15.396 1.690 -11.070 1.00 34.41 C ATOM 925 OE1 GLU B 31 -15.062 2.883 -11.095 1.00 41.23 O ATOM 926 OE2 GLU B 31 -15.841 1.023 -12.081 1.00 53.21 O ATOM 0 H GLU B 31 -12.398 -1.800 -8.300 1.00 12.41 H new ATOM 0 HA GLU B 31 -14.629 -1.421 -10.170 1.00 43.14 H new ATOM 0 HB2 GLU B 31 -13.576 0.674 -8.478 1.00 71.32 H new ATOM 0 HB3 GLU B 31 -13.173 1.014 -10.149 1.00 71.32 H new ATOM 0 HG2 GLU B 31 -15.943 0.021 -9.816 1.00 45.15 H new ATOM 0 HG3 GLU B 31 -15.643 1.505 -8.934 1.00 45.15 H new ATOM 933 N ASP B 32 -12.588 -0.464 -11.840 1.00 74.34 N ATOM 934 CA ASP B 32 -11.605 -0.587 -12.903 1.00 45.31 C ATOM 935 C ASP B 32 -10.952 0.775 -13.147 1.00 0.52 C ATOM 936 O ASP B 32 -11.553 1.655 -13.762 1.00 22.31 O ATOM 937 CB ASP B 32 -12.260 -1.037 -14.211 1.00 14.15 C ATOM 938 CG ASP B 32 -11.515 -2.144 -14.960 1.00 35.22 C ATOM 939 OD1 ASP B 32 -10.344 -1.985 -15.334 1.00 52.31 O ATOM 940 OD2 ASP B 32 -12.197 -3.221 -15.159 1.00 33.25 O ATOM 0 H ASP B 32 -13.251 0.302 -11.958 1.00 74.34 H new ATOM 0 HA ASP B 32 -10.867 -1.328 -12.595 1.00 45.31 H new ATOM 0 HB2 ASP B 32 -13.271 -1.383 -13.994 1.00 14.15 H new ATOM 0 HB3 ASP B 32 -12.353 -0.173 -14.869 1.00 14.15 H new ATOM 945 N MET B 33 -9.730 0.907 -12.652 1.00 63.32 N ATOM 946 CA MET B 33 -8.988 2.147 -12.808 1.00 54.33 C ATOM 947 C MET B 33 -9.129 2.694 -14.230 1.00 12.10 C ATOM 948 O MET B 33 -9.148 1.931 -15.194 1.00 65.32 O ATOM 949 CB MET B 33 -7.510 1.900 -12.500 1.00 62.02 C ATOM 950 CG MET B 33 -7.016 2.840 -11.398 1.00 51.11 C ATOM 951 SD MET B 33 -6.038 1.931 -10.214 1.00 43.14 S ATOM 952 CE MET B 33 -4.969 1.028 -11.322 1.00 43.44 C ATOM 0 H MET B 33 -9.235 0.175 -12.142 1.00 63.32 H new ATOM 0 HA MET B 33 -9.395 2.882 -12.114 1.00 54.33 H new ATOM 0 HB2 MET B 33 -7.367 0.865 -12.191 1.00 62.02 H new ATOM 0 HB3 MET B 33 -6.917 2.048 -13.402 1.00 62.02 H new ATOM 0 HG2 MET B 33 -6.421 3.643 -11.833 1.00 51.11 H new ATOM 0 HG3 MET B 33 -7.865 3.307 -10.899 1.00 51.11 H new ATOM 0 HE1 MET B 33 -3.977 0.941 -10.880 1.00 43.44 H new ATOM 0 HE2 MET B 33 -5.379 0.033 -11.493 1.00 43.44 H new ATOM 0 HE3 MET B 33 -4.897 1.559 -12.271 1.00 43.44 H new ATOM 962 N VAL B 34 -9.226 4.013 -14.315 1.00 53.34 N ATOM 963 CA VAL B 34 -9.365 4.672 -15.602 1.00 65.04 C ATOM 964 C VAL B 34 -7.976 4.990 -16.160 1.00 61.44 C ATOM 965 O VAL B 34 -6.992 4.995 -15.421 1.00 40.23 O ATOM 966 CB VAL B 34 -10.251 5.911 -15.464 1.00 62.31 C ATOM 967 CG1 VAL B 34 -10.779 6.363 -16.828 1.00 1.23 C ATOM 968 CG2 VAL B 34 -11.401 5.655 -14.488 1.00 51.43 C ATOM 0 H VAL B 34 -9.211 4.643 -13.513 1.00 53.34 H new ATOM 0 HA VAL B 34 -9.860 4.013 -16.316 1.00 65.04 H new ATOM 0 HB VAL B 34 -9.640 6.717 -15.058 1.00 62.31 H new ATOM 0 HG11 VAL B 34 -11.406 7.246 -16.701 1.00 1.23 H new ATOM 0 HG12 VAL B 34 -9.940 6.604 -17.481 1.00 1.23 H new ATOM 0 HG13 VAL B 34 -11.367 5.561 -17.274 1.00 1.23 H new ATOM 0 HG21 VAL B 34 -12.016 6.551 -14.407 1.00 51.43 H new ATOM 0 HG22 VAL B 34 -12.010 4.828 -14.853 1.00 51.43 H new ATOM 0 HG23 VAL B 34 -10.997 5.403 -13.508 1.00 51.43 H new ATOM 978 N LYS B 35 -7.939 5.248 -17.459 1.00 72.23 N ATOM 979 CA LYS B 35 -6.687 5.567 -18.124 1.00 72.22 C ATOM 980 C LYS B 35 -6.655 7.061 -18.453 1.00 74.21 C ATOM 981 O LYS B 35 -7.566 7.577 -19.098 1.00 44.03 O ATOM 982 CB LYS B 35 -6.483 4.664 -19.342 1.00 43.24 C ATOM 983 CG LYS B 35 -7.155 5.256 -20.583 1.00 14.23 C ATOM 984 CD LYS B 35 -6.193 6.170 -21.345 1.00 12.25 C ATOM 985 CE LYS B 35 -5.097 5.357 -22.037 1.00 33.10 C ATOM 986 NZ LYS B 35 -3.873 6.171 -22.200 1.00 64.30 N ATOM 0 H LYS B 35 -8.756 5.243 -18.069 1.00 72.23 H new ATOM 0 HA LYS B 35 -5.843 5.368 -17.464 1.00 72.22 H new ATOM 0 HB2 LYS B 35 -5.417 4.534 -19.528 1.00 43.24 H new ATOM 0 HB3 LYS B 35 -6.894 3.675 -19.139 1.00 43.24 H new ATOM 0 HG2 LYS B 35 -7.492 4.452 -21.237 1.00 14.23 H new ATOM 0 HG3 LYS B 35 -8.040 5.819 -20.288 1.00 14.23 H new ATOM 0 HD2 LYS B 35 -6.745 6.748 -22.086 1.00 12.25 H new ATOM 0 HD3 LYS B 35 -5.741 6.884 -20.656 1.00 12.25 H new ATOM 0 HE2 LYS B 35 -4.873 4.466 -21.451 1.00 33.10 H new ATOM 0 HE3 LYS B 35 -5.448 5.018 -23.012 1.00 33.10 H new ATOM 0 HZ1 LYS B 35 -3.054 5.544 -22.330 1.00 64.30 H new ATOM 0 HZ2 LYS B 35 -3.973 6.786 -23.033 1.00 64.30 H new ATOM 0 HZ3 LYS B 35 -3.730 6.756 -21.352 1.00 64.30 H new ATOM 999 N GLN B 36 -5.597 7.712 -17.995 1.00 30.23 N ATOM 1000 CA GLN B 36 -5.434 9.136 -18.232 1.00 60.13 C ATOM 1001 C GLN B 36 -4.929 9.383 -19.655 1.00 43.11 C ATOM 1002 O GLN B 36 -3.724 9.359 -19.903 1.00 33.44 O ATOM 1003 CB GLN B 36 -4.493 9.760 -17.200 1.00 43.33 C ATOM 1004 CG GLN B 36 -4.859 9.314 -15.783 1.00 53.53 C ATOM 1005 CD GLN B 36 -5.951 10.209 -15.193 1.00 34.25 C ATOM 1006 OE1 GLN B 36 -5.733 11.363 -14.862 1.00 72.25 O ATOM 1007 NE2 GLN B 36 -7.135 9.614 -15.078 1.00 10.13 N ATOM 0 H GLN B 36 -4.843 7.280 -17.461 1.00 30.23 H new ATOM 0 HA GLN B 36 -6.407 9.616 -18.124 1.00 60.13 H new ATOM 0 HB2 GLN B 36 -3.465 9.474 -17.421 1.00 43.33 H new ATOM 0 HB3 GLN B 36 -4.543 10.847 -17.267 1.00 43.33 H new ATOM 0 HG2 GLN B 36 -5.201 8.279 -15.800 1.00 53.53 H new ATOM 0 HG3 GLN B 36 -3.974 9.346 -15.147 1.00 53.53 H new ATOM 0 HE21 GLN B 36 -7.250 8.645 -15.374 1.00 10.13 H new ATOM 0 HE22 GLN B 36 -7.928 10.127 -14.694 1.00 10.13 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.751 -9.776 -15.198 1.00 2.32 ZN HETATM 1018 ZN ZN B 37 -10.346 2.784 -7.649 1.00 64.22 ZN