USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 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 Single : A 1 ALA N :NH3+ -154:sc= -0.266 (180deg=-1.33!) USER MOD Single : A 2 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= -2.92! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.32 K(o=-3.3,f=-7.3!) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc=-0.00383 (180deg=-0.469) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 179:sc= -6.46! (180deg=-6.6!) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 0.993 (180deg=0.744) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.4 F(o=-3.1!,f=-1.4) USER MOD Single : B 1 ALA N :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : B 2 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD Single : B 17 LYS NZ :NH3+ -171:sc= -6.65! (180deg=-6.91!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -168:sc= -2.45! (180deg=-3.02!) USER MOD Single : B 35 LYS NZ :NH3+ 178:sc= 0.781 (180deg=0.77) USER MOD Single : B 36 GLN :FLIP amide:sc= -1.41 F(o=-2.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.578 1.226 -1.398 1.00 43.20 N ATOM 2 CA ALA A 1 0.517 0.291 -1.207 1.00 44.31 C ATOM 3 C ALA A 1 1.777 1.062 -0.809 1.00 0.45 C ATOM 4 O ALA A 1 2.272 0.916 0.308 1.00 61.50 O ATOM 5 CB ALA A 1 0.716 -0.530 -2.482 1.00 21.40 C ATOM 0 H1 ALA A 1 -1.482 0.740 -1.231 1.00 43.20 H new ATOM 0 H2 ALA A 1 -0.481 2.016 -0.728 1.00 43.20 H new ATOM 0 H3 ALA A 1 -0.556 1.592 -2.371 1.00 43.20 H new ATOM 0 HA ALA A 1 0.289 -0.407 -0.402 1.00 44.31 H new ATOM 0 HB1 ALA A 1 1.538 -1.232 -2.338 1.00 21.40 H new ATOM 0 HB2 ALA A 1 -0.197 -1.082 -2.706 1.00 21.40 H new ATOM 0 HB3 ALA A 1 0.949 0.137 -3.312 1.00 21.40 H new ATOM 11 N ASN A 2 2.261 1.867 -1.743 1.00 32.11 N ATOM 12 CA ASN A 2 3.453 2.663 -1.503 1.00 63.31 C ATOM 13 C ASN A 2 3.787 3.466 -2.762 1.00 22.31 C ATOM 14 O ASN A 2 4.013 2.893 -3.826 1.00 23.01 O ATOM 15 CB ASN A 2 4.653 1.770 -1.180 1.00 23.23 C ATOM 16 CG ASN A 2 4.784 1.552 0.329 1.00 10.51 C ATOM 17 OD1 ASN A 2 4.448 2.403 1.137 1.00 1.32 O ATOM 18 ND2 ASN A 2 5.288 0.368 0.663 1.00 4.02 N ATOM 0 H ASN A 2 1.849 1.985 -2.669 1.00 32.11 H new ATOM 0 HA ASN A 2 3.255 3.323 -0.658 1.00 63.31 H new ATOM 0 HB2 ASN A 2 4.541 0.809 -1.682 1.00 23.23 H new ATOM 0 HB3 ASN A 2 5.565 2.226 -1.566 1.00 23.23 H new ATOM 0 HD21 ASN A 2 5.414 0.126 1.646 1.00 4.02 H new ATOM 0 HD22 ASN A 2 5.549 -0.299 -0.064 1.00 4.02 H new ATOM 25 N GLU A 3 3.806 4.780 -2.598 1.00 4.31 N ATOM 26 CA GLU A 3 4.109 5.669 -3.707 1.00 73.11 C ATOM 27 C GLU A 3 5.541 5.440 -4.196 1.00 74.21 C ATOM 28 O GLU A 3 6.495 5.638 -3.446 1.00 30.42 O ATOM 29 CB GLU A 3 3.890 7.131 -3.314 1.00 5.23 C ATOM 30 CG GLU A 3 4.272 8.070 -4.461 1.00 34.33 C ATOM 31 CD GLU A 3 3.962 9.525 -4.103 1.00 54.35 C ATOM 32 OE1 GLU A 3 4.165 9.938 -2.952 1.00 71.14 O ATOM 33 OE2 GLU A 3 3.493 10.236 -5.073 1.00 70.01 O ATOM 0 H GLU A 3 3.616 5.251 -1.713 1.00 4.31 H new ATOM 0 HA GLU A 3 3.426 5.442 -4.526 1.00 73.11 H new ATOM 0 HB2 GLU A 3 2.845 7.286 -3.045 1.00 5.23 H new ATOM 0 HB3 GLU A 3 4.485 7.367 -2.432 1.00 5.23 H new ATOM 0 HG2 GLU A 3 5.334 7.965 -4.684 1.00 34.33 H new ATOM 0 HG3 GLU A 3 3.727 7.789 -5.363 1.00 34.33 H new ATOM 40 N GLY A 4 5.645 5.025 -5.450 1.00 12.54 N ATOM 41 CA GLY A 4 6.944 4.767 -6.048 1.00 13.15 C ATOM 42 C GLY A 4 7.223 3.265 -6.124 1.00 63.35 C ATOM 43 O GLY A 4 8.245 2.847 -6.666 1.00 32.00 O ATOM 0 H GLY A 4 4.851 4.861 -6.069 1.00 12.54 H new ATOM 0 HA2 GLY A 4 6.980 5.198 -7.048 1.00 13.15 H new ATOM 0 HA3 GLY A 4 7.722 5.256 -5.462 1.00 13.15 H new ATOM 47 N ASP A 5 6.296 2.494 -5.575 1.00 0.32 N ATOM 48 CA ASP A 5 6.430 1.047 -5.574 1.00 15.41 C ATOM 49 C ASP A 5 5.758 0.477 -6.825 1.00 14.11 C ATOM 50 O ASP A 5 4.763 1.021 -7.302 1.00 31.43 O ATOM 51 CB ASP A 5 5.750 0.431 -4.349 1.00 13.50 C ATOM 52 CG ASP A 5 6.532 0.562 -3.041 1.00 60.05 C ATOM 53 OD1 ASP A 5 7.237 1.558 -2.815 1.00 63.32 O ATOM 54 OD2 ASP A 5 6.395 -0.425 -2.223 1.00 74.21 O ATOM 0 H ASP A 5 5.449 2.844 -5.128 1.00 0.32 H new ATOM 0 HA ASP A 5 7.493 0.806 -5.555 1.00 15.41 H new ATOM 0 HB2 ASP A 5 4.774 0.900 -4.220 1.00 13.50 H new ATOM 0 HB3 ASP A 5 5.572 -0.627 -4.544 1.00 13.50 H new ATOM 59 N VAL A 6 6.328 -0.611 -7.320 1.00 65.53 N ATOM 60 CA VAL A 6 5.796 -1.261 -8.506 1.00 41.04 C ATOM 61 C VAL A 6 5.134 -2.581 -8.106 1.00 1.31 C ATOM 62 O VAL A 6 5.637 -3.295 -7.240 1.00 14.44 O ATOM 63 CB VAL A 6 6.904 -1.440 -9.546 1.00 23.22 C ATOM 64 CG1 VAL A 6 6.534 -2.523 -10.561 1.00 21.43 C ATOM 65 CG2 VAL A 6 7.218 -0.117 -10.247 1.00 50.42 C ATOM 0 H VAL A 6 7.153 -1.059 -6.922 1.00 65.53 H new ATOM 0 HA VAL A 6 5.029 -0.640 -8.970 1.00 41.04 H new ATOM 0 HB VAL A 6 7.804 -1.764 -9.023 1.00 23.22 H new ATOM 0 HG11 VAL A 6 7.339 -2.630 -11.289 1.00 21.43 H new ATOM 0 HG12 VAL A 6 6.384 -3.471 -10.044 1.00 21.43 H new ATOM 0 HG13 VAL A 6 5.615 -2.241 -11.075 1.00 21.43 H new ATOM 0 HG21 VAL A 6 8.009 -0.273 -10.981 1.00 50.42 H new ATOM 0 HG22 VAL A 6 6.323 0.250 -10.750 1.00 50.42 H new ATOM 0 HG23 VAL A 6 7.546 0.616 -9.510 1.00 50.42 H new ATOM 75 N TYR A 7 4.015 -2.865 -8.755 1.00 34.12 N ATOM 76 CA TYR A 7 3.277 -4.086 -8.477 1.00 41.34 C ATOM 77 C TYR A 7 3.030 -4.882 -9.761 1.00 44.41 C ATOM 78 O TYR A 7 2.616 -4.319 -10.774 1.00 73.13 O ATOM 79 CB TYR A 7 1.932 -3.645 -7.898 1.00 51.15 C ATOM 80 CG TYR A 7 1.927 -3.498 -6.375 1.00 64.52 C ATOM 81 CD1 TYR A 7 2.790 -2.611 -5.765 1.00 1.32 C ATOM 82 CD2 TYR A 7 1.062 -4.255 -5.612 1.00 74.50 C ATOM 83 CE1 TYR A 7 2.786 -2.474 -4.331 1.00 51.43 C ATOM 84 CE2 TYR A 7 1.057 -4.118 -4.178 1.00 64.35 C ATOM 85 CZ TYR A 7 1.920 -3.235 -3.609 1.00 40.52 C ATOM 86 OH TYR A 7 1.917 -3.105 -2.255 1.00 13.51 O ATOM 0 H TYR A 7 3.601 -2.271 -9.473 1.00 34.12 H new ATOM 0 HA TYR A 7 3.836 -4.724 -7.793 1.00 41.34 H new ATOM 0 HB2 TYR A 7 1.651 -2.692 -8.345 1.00 51.15 H new ATOM 0 HB3 TYR A 7 1.170 -4.369 -8.185 1.00 51.15 H new ATOM 0 HD1 TYR A 7 3.468 -2.020 -6.362 1.00 1.32 H new ATOM 0 HD2 TYR A 7 0.388 -4.951 -6.090 1.00 74.50 H new ATOM 0 HE1 TYR A 7 3.455 -1.783 -3.840 1.00 51.43 H new ATOM 0 HE2 TYR A 7 0.384 -4.703 -3.569 1.00 64.35 H new ATOM 0 HH TYR A 7 1.248 -3.708 -1.870 1.00 13.51 H new ATOM 96 N LYS A 8 3.296 -6.177 -9.677 1.00 52.02 N ATOM 97 CA LYS A 8 3.107 -7.055 -10.819 1.00 44.52 C ATOM 98 C LYS A 8 1.860 -7.912 -10.597 1.00 64.45 C ATOM 99 O LYS A 8 1.398 -8.062 -9.468 1.00 11.54 O ATOM 100 CB LYS A 8 4.375 -7.869 -11.084 1.00 23.22 C ATOM 101 CG LYS A 8 4.426 -8.349 -12.536 1.00 13.22 C ATOM 102 CD LYS A 8 5.821 -8.864 -12.895 1.00 11.22 C ATOM 103 CE LYS A 8 5.743 -10.235 -13.569 1.00 10.11 C ATOM 104 NZ LYS A 8 6.799 -10.369 -14.597 1.00 53.10 N ATOM 0 H LYS A 8 3.641 -6.639 -8.836 1.00 52.02 H new ATOM 0 HA LYS A 8 2.936 -6.472 -11.724 1.00 44.52 H new ATOM 0 HB2 LYS A 8 5.253 -7.261 -10.867 1.00 23.22 H new ATOM 0 HB3 LYS A 8 4.408 -8.727 -10.412 1.00 23.22 H new ATOM 0 HG2 LYS A 8 3.692 -9.141 -12.687 1.00 13.22 H new ATOM 0 HG3 LYS A 8 4.154 -7.531 -13.203 1.00 13.22 H new ATOM 0 HD2 LYS A 8 6.314 -8.155 -13.560 1.00 11.22 H new ATOM 0 HD3 LYS A 8 6.430 -8.932 -11.994 1.00 11.22 H new ATOM 0 HE2 LYS A 8 5.853 -11.021 -12.822 1.00 10.11 H new ATOM 0 HE3 LYS A 8 4.763 -10.366 -14.027 1.00 10.11 H new ATOM 0 HZ1 LYS A 8 6.731 -11.305 -15.044 1.00 53.10 H new ATOM 0 HZ2 LYS A 8 6.676 -9.631 -15.319 1.00 53.10 H new ATOM 0 HZ3 LYS A 8 7.733 -10.265 -14.151 1.00 53.10 H new ATOM 117 N CYS A 9 1.351 -8.455 -11.694 1.00 52.51 N ATOM 118 CA CYS A 9 0.167 -9.294 -11.633 1.00 61.23 C ATOM 119 C CYS A 9 0.595 -10.699 -11.207 1.00 74.13 C ATOM 120 O CYS A 9 -0.196 -11.447 -10.634 1.00 54.45 O ATOM 121 CB CYS A 9 -0.587 -9.307 -12.965 1.00 44.11 C ATOM 122 SG CYS A 9 -2.043 -10.416 -13.013 1.00 61.24 S ATOM 0 H CYS A 9 1.737 -8.330 -12.630 1.00 52.51 H new ATOM 0 HA CYS A 9 -0.530 -8.889 -10.900 1.00 61.23 H new ATOM 0 HB2 CYS A 9 -0.914 -8.292 -13.191 1.00 44.11 H new ATOM 0 HB3 CYS A 9 0.104 -9.603 -13.754 1.00 44.11 H new ATOM 127 N GLU A 10 1.847 -11.017 -11.504 1.00 30.25 N ATOM 128 CA GLU A 10 2.390 -12.320 -11.157 1.00 71.23 C ATOM 129 C GLU A 10 1.682 -13.418 -11.954 1.00 22.33 C ATOM 130 O GLU A 10 1.881 -14.604 -11.693 1.00 55.20 O ATOM 131 CB GLU A 10 2.282 -12.577 -9.653 1.00 12.14 C ATOM 132 CG GLU A 10 3.480 -11.985 -8.908 1.00 42.25 C ATOM 133 CD GLU A 10 4.616 -13.004 -8.800 1.00 22.04 C ATOM 134 OE1 GLU A 10 4.359 -14.214 -8.715 1.00 35.04 O ATOM 135 OE2 GLU A 10 5.803 -12.500 -8.807 1.00 42.11 O ATOM 0 H GLU A 10 2.500 -10.395 -11.981 1.00 30.25 H new ATOM 0 HA GLU A 10 3.448 -12.333 -11.418 1.00 71.23 H new ATOM 0 HB2 GLU A 10 1.360 -12.140 -9.271 1.00 12.14 H new ATOM 0 HB3 GLU A 10 2.227 -13.650 -9.467 1.00 12.14 H new ATOM 0 HG2 GLU A 10 3.833 -11.095 -9.429 1.00 42.25 H new ATOM 0 HG3 GLU A 10 3.173 -11.670 -7.911 1.00 42.25 H new ATOM 142 N LEU A 11 0.872 -12.984 -12.908 1.00 61.51 N ATOM 143 CA LEU A 11 0.134 -13.916 -13.744 1.00 22.33 C ATOM 144 C LEU A 11 0.353 -13.558 -15.216 1.00 0.44 C ATOM 145 O LEU A 11 1.245 -14.101 -15.865 1.00 21.32 O ATOM 146 CB LEU A 11 -1.339 -13.954 -13.333 1.00 4.13 C ATOM 147 CG LEU A 11 -1.638 -14.576 -11.967 1.00 23.35 C ATOM 148 CD1 LEU A 11 -3.108 -14.385 -11.588 1.00 11.10 C ATOM 149 CD2 LEU A 11 -1.223 -16.048 -11.932 1.00 53.12 C ATOM 0 H LEU A 11 0.710 -12.000 -13.121 1.00 61.51 H new ATOM 0 HA LEU A 11 0.506 -14.931 -13.603 1.00 22.33 H new ATOM 0 HB2 LEU A 11 -1.724 -12.934 -13.338 1.00 4.13 H new ATOM 0 HB3 LEU A 11 -1.893 -14.507 -14.091 1.00 4.13 H new ATOM 0 HG LEU A 11 -1.042 -14.056 -11.217 1.00 23.35 H new ATOM 0 HD11 LEU A 11 -3.294 -14.836 -10.613 1.00 11.10 H new ATOM 0 HD12 LEU A 11 -3.337 -13.320 -11.545 1.00 11.10 H new ATOM 0 HD13 LEU A 11 -3.741 -14.862 -12.336 1.00 11.10 H new ATOM 0 HD21 LEU A 11 -1.446 -16.466 -10.950 1.00 53.12 H new ATOM 0 HD22 LEU A 11 -1.773 -16.599 -12.695 1.00 53.12 H new ATOM 0 HD23 LEU A 11 -0.153 -16.129 -12.126 1.00 53.12 H new ATOM 161 N CYS A 12 -0.477 -12.644 -15.698 1.00 24.21 N ATOM 162 CA CYS A 12 -0.385 -12.208 -17.081 1.00 3.45 C ATOM 163 C CYS A 12 1.030 -11.677 -17.325 1.00 33.03 C ATOM 164 O CYS A 12 1.603 -11.897 -18.390 1.00 43.23 O ATOM 165 CB CYS A 12 -1.451 -11.162 -17.416 1.00 13.44 C ATOM 166 SG CYS A 12 -1.389 -9.647 -16.390 1.00 33.00 S ATOM 0 H CYS A 12 -1.215 -12.194 -15.156 1.00 24.21 H new ATOM 0 HA CYS A 12 -0.575 -13.052 -17.744 1.00 3.45 H new ATOM 0 HB2 CYS A 12 -1.346 -10.879 -18.463 1.00 13.44 H new ATOM 0 HB3 CYS A 12 -2.435 -11.618 -17.306 1.00 13.44 H new ATOM 171 N GLY A 13 1.551 -10.990 -16.319 1.00 60.25 N ATOM 172 CA GLY A 13 2.887 -10.427 -16.412 1.00 24.15 C ATOM 173 C GLY A 13 2.832 -8.909 -16.596 1.00 74.32 C ATOM 174 O GLY A 13 3.672 -8.334 -17.286 1.00 54.00 O ATOM 0 H GLY A 13 1.072 -10.811 -15.436 1.00 60.25 H new ATOM 0 HA2 GLY A 13 3.450 -10.667 -15.510 1.00 24.15 H new ATOM 0 HA3 GLY A 13 3.418 -10.879 -17.249 1.00 24.15 H new ATOM 178 N GLN A 14 1.834 -8.305 -15.969 1.00 41.12 N ATOM 179 CA GLN A 14 1.658 -6.865 -16.057 1.00 34.22 C ATOM 180 C GLN A 14 2.349 -6.173 -14.880 1.00 32.44 C ATOM 181 O GLN A 14 2.228 -6.615 -13.738 1.00 61.51 O ATOM 182 CB GLN A 14 0.173 -6.497 -16.114 1.00 43.12 C ATOM 183 CG GLN A 14 -0.017 -4.980 -16.066 1.00 71.24 C ATOM 184 CD GLN A 14 -1.070 -4.527 -17.082 1.00 3.22 C ATOM 185 OE1 GLN A 14 -0.788 -3.812 -18.029 1.00 12.51 O ATOM 186 NE2 GLN A 14 -2.293 -4.984 -16.831 1.00 51.31 N ATOM 0 H GLN A 14 1.139 -8.786 -15.398 1.00 41.12 H new ATOM 0 HA GLN A 14 2.121 -6.517 -16.981 1.00 34.22 H new ATOM 0 HB2 GLN A 14 -0.269 -6.894 -17.028 1.00 43.12 H new ATOM 0 HB3 GLN A 14 -0.353 -6.960 -15.279 1.00 43.12 H new ATOM 0 HG2 GLN A 14 -0.321 -4.679 -15.063 1.00 71.24 H new ATOM 0 HG3 GLN A 14 0.931 -4.484 -16.274 1.00 71.24 H new ATOM 0 HE21 GLN A 14 -2.458 -5.579 -16.019 1.00 51.31 H new ATOM 0 HE22 GLN A 14 -3.066 -4.740 -17.450 1.00 51.31 H new ATOM 195 N VAL A 15 3.057 -5.100 -15.199 1.00 51.01 N ATOM 196 CA VAL A 15 3.767 -4.342 -14.182 1.00 33.41 C ATOM 197 C VAL A 15 3.269 -2.896 -14.189 1.00 51.44 C ATOM 198 O VAL A 15 3.191 -2.268 -15.244 1.00 63.40 O ATOM 199 CB VAL A 15 5.277 -4.457 -14.404 1.00 33.45 C ATOM 200 CG1 VAL A 15 6.046 -3.625 -13.376 1.00 22.13 C ATOM 201 CG2 VAL A 15 5.726 -5.919 -14.373 1.00 11.31 C ATOM 0 H VAL A 15 3.155 -4.737 -16.147 1.00 51.01 H new ATOM 0 HA VAL A 15 3.566 -4.749 -13.191 1.00 33.41 H new ATOM 0 HB VAL A 15 5.502 -4.059 -15.393 1.00 33.45 H new ATOM 0 HG11 VAL A 15 7.117 -3.724 -13.555 1.00 22.13 H new ATOM 0 HG12 VAL A 15 5.758 -2.578 -13.467 1.00 22.13 H new ATOM 0 HG13 VAL A 15 5.812 -3.980 -12.372 1.00 22.13 H new ATOM 0 HG21 VAL A 15 6.803 -5.972 -14.533 1.00 11.31 H new ATOM 0 HG22 VAL A 15 5.481 -6.354 -13.404 1.00 11.31 H new ATOM 0 HG23 VAL A 15 5.214 -6.474 -15.160 1.00 11.31 H new ATOM 211 N VAL A 16 2.946 -2.409 -13.000 1.00 55.33 N ATOM 212 CA VAL A 16 2.458 -1.048 -12.856 1.00 42.32 C ATOM 213 C VAL A 16 3.112 -0.404 -11.632 1.00 42.21 C ATOM 214 O VAL A 16 3.684 -1.096 -10.793 1.00 21.34 O ATOM 215 CB VAL A 16 0.930 -1.045 -12.789 1.00 13.23 C ATOM 216 CG1 VAL A 16 0.321 -1.401 -14.146 1.00 54.30 C ATOM 217 CG2 VAL A 16 0.426 -1.990 -11.697 1.00 5.30 C ATOM 0 H VAL A 16 3.013 -2.933 -12.127 1.00 55.33 H new ATOM 0 HA VAL A 16 2.733 -0.449 -13.724 1.00 42.32 H new ATOM 0 HB VAL A 16 0.609 -0.036 -12.532 1.00 13.23 H new ATOM 0 HG11 VAL A 16 -0.766 -1.392 -14.071 1.00 54.30 H new ATOM 0 HG12 VAL A 16 0.639 -0.671 -14.890 1.00 54.30 H new ATOM 0 HG13 VAL A 16 0.655 -2.394 -14.446 1.00 54.30 H new ATOM 0 HG21 VAL A 16 -0.663 -1.968 -11.671 1.00 5.30 H new ATOM 0 HG22 VAL A 16 0.764 -3.004 -11.909 1.00 5.30 H new ATOM 0 HG23 VAL A 16 0.818 -1.672 -10.731 1.00 5.30 H new ATOM 227 N LYS A 17 3.007 0.916 -11.571 1.00 33.32 N ATOM 228 CA LYS A 17 3.580 1.662 -10.464 1.00 61.51 C ATOM 229 C LYS A 17 2.460 2.359 -9.689 1.00 62.14 C ATOM 230 O LYS A 17 1.366 2.558 -10.216 1.00 23.43 O ATOM 231 CB LYS A 17 4.666 2.615 -10.966 1.00 40.31 C ATOM 232 CG LYS A 17 5.404 3.271 -9.797 1.00 44.00 C ATOM 233 CD LYS A 17 6.353 4.365 -10.291 1.00 54.11 C ATOM 234 CE LYS A 17 7.767 4.150 -9.749 1.00 71.02 C ATOM 235 NZ LYS A 17 8.379 5.443 -9.371 1.00 32.23 N ATOM 0 H LYS A 17 2.533 1.488 -12.271 1.00 33.32 H new ATOM 0 HA LYS A 17 4.077 0.987 -9.767 1.00 61.51 H new ATOM 0 HB2 LYS A 17 5.375 2.068 -11.588 1.00 40.31 H new ATOM 0 HB3 LYS A 17 4.217 3.384 -11.595 1.00 40.31 H new ATOM 0 HG2 LYS A 17 4.682 3.698 -9.101 1.00 44.00 H new ATOM 0 HG3 LYS A 17 5.968 2.516 -9.249 1.00 44.00 H new ATOM 0 HD2 LYS A 17 6.374 4.368 -11.381 1.00 54.11 H new ATOM 0 HD3 LYS A 17 5.984 5.341 -9.976 1.00 54.11 H new ATOM 0 HE2 LYS A 17 7.734 3.489 -8.883 1.00 71.02 H new ATOM 0 HE3 LYS A 17 8.381 3.657 -10.503 1.00 71.02 H new ATOM 0 HZ1 LYS A 17 9.166 5.275 -8.712 1.00 32.23 H new ATOM 0 HZ2 LYS A 17 8.737 5.920 -10.223 1.00 32.23 H new ATOM 0 HZ3 LYS A 17 7.665 6.044 -8.912 1.00 32.23 H new ATOM 248 N VAL A 18 2.772 2.711 -8.450 1.00 51.13 N ATOM 249 CA VAL A 18 1.805 3.382 -7.598 1.00 12.24 C ATOM 250 C VAL A 18 2.141 4.873 -7.527 1.00 22.14 C ATOM 251 O VAL A 18 2.848 5.311 -6.620 1.00 50.21 O ATOM 252 CB VAL A 18 1.766 2.712 -6.223 1.00 10.20 C ATOM 253 CG1 VAL A 18 0.926 3.528 -5.239 1.00 1.41 C ATOM 254 CG2 VAL A 18 1.248 1.277 -6.328 1.00 33.44 C ATOM 0 H VAL A 18 3.680 2.544 -8.016 1.00 51.13 H new ATOM 0 HA VAL A 18 0.802 3.295 -8.016 1.00 12.24 H new ATOM 0 HB VAL A 18 2.786 2.673 -5.840 1.00 10.20 H new ATOM 0 HG11 VAL A 18 0.915 3.030 -4.270 1.00 1.41 H new ATOM 0 HG12 VAL A 18 1.357 4.523 -5.130 1.00 1.41 H new ATOM 0 HG13 VAL A 18 -0.094 3.614 -5.615 1.00 1.41 H new ATOM 0 HG21 VAL A 18 1.230 0.823 -5.337 1.00 33.44 H new ATOM 0 HG22 VAL A 18 0.240 1.283 -6.742 1.00 33.44 H new ATOM 0 HG23 VAL A 18 1.904 0.700 -6.979 1.00 33.44 H new ATOM 264 N LEU A 19 1.620 5.612 -8.495 1.00 64.45 N ATOM 265 CA LEU A 19 1.857 7.044 -8.554 1.00 34.14 C ATOM 266 C LEU A 19 1.173 7.718 -7.362 1.00 44.11 C ATOM 267 O LEU A 19 1.751 8.600 -6.729 1.00 32.13 O ATOM 268 CB LEU A 19 1.421 7.604 -9.910 1.00 23.34 C ATOM 269 CG LEU A 19 2.535 8.190 -10.781 1.00 41.11 C ATOM 270 CD1 LEU A 19 3.411 7.082 -11.370 1.00 55.31 C ATOM 271 CD2 LEU A 19 1.958 9.103 -11.865 1.00 21.21 C ATOM 0 H LEU A 19 1.034 5.246 -9.245 1.00 64.45 H new ATOM 0 HA LEU A 19 2.923 7.258 -8.475 1.00 34.14 H new ATOM 0 HB2 LEU A 19 0.930 6.808 -10.469 1.00 23.34 H new ATOM 0 HB3 LEU A 19 0.675 8.380 -9.738 1.00 23.34 H new ATOM 0 HG LEU A 19 3.176 8.805 -10.149 1.00 41.11 H new ATOM 0 HD11 LEU A 19 4.194 7.526 -11.984 1.00 55.31 H new ATOM 0 HD12 LEU A 19 3.865 6.509 -10.562 1.00 55.31 H new ATOM 0 HD13 LEU A 19 2.799 6.422 -11.984 1.00 55.31 H new ATOM 0 HD21 LEU A 19 2.769 9.507 -12.470 1.00 21.21 H new ATOM 0 HD22 LEU A 19 1.281 8.531 -12.500 1.00 21.21 H new ATOM 0 HD23 LEU A 19 1.412 9.922 -11.398 1.00 21.21 H new ATOM 283 N GLU A 20 -0.048 7.279 -7.094 1.00 64.24 N ATOM 284 CA GLU A 20 -0.815 7.829 -5.990 1.00 73.25 C ATOM 285 C GLU A 20 -1.562 6.713 -5.256 1.00 4.54 C ATOM 286 O GLU A 20 -2.417 6.047 -5.836 1.00 11.32 O ATOM 287 CB GLU A 20 -1.784 8.906 -6.480 1.00 54.32 C ATOM 288 CG GLU A 20 -1.057 10.233 -6.711 1.00 31.10 C ATOM 289 CD GLU A 20 -1.170 10.673 -8.172 1.00 73.44 C ATOM 290 OE1 GLU A 20 -0.504 10.098 -9.046 1.00 42.15 O ATOM 291 OE2 GLU A 20 -1.987 11.647 -8.386 1.00 54.32 O ATOM 0 H GLU A 20 -0.525 6.549 -7.623 1.00 64.24 H new ATOM 0 HA GLU A 20 -0.124 8.299 -5.290 1.00 73.25 H new ATOM 0 HB2 GLU A 20 -2.257 8.580 -7.406 1.00 54.32 H new ATOM 0 HB3 GLU A 20 -2.579 9.045 -5.748 1.00 54.32 H new ATOM 0 HG2 GLU A 20 -1.479 11.001 -6.063 1.00 31.10 H new ATOM 0 HG3 GLU A 20 -0.007 10.128 -6.439 1.00 31.10 H new ATOM 298 N GLU A 21 -1.211 6.545 -3.989 1.00 13.33 N ATOM 299 CA GLU A 21 -1.837 5.523 -3.168 1.00 32.12 C ATOM 300 C GLU A 21 -3.356 5.713 -3.150 1.00 3.03 C ATOM 301 O GLU A 21 -3.850 6.810 -3.403 1.00 53.24 O ATOM 302 CB GLU A 21 -1.266 5.533 -1.749 1.00 31.21 C ATOM 303 CG GLU A 21 -0.037 4.628 -1.647 1.00 24.41 C ATOM 304 CD GLU A 21 0.395 4.451 -0.189 1.00 42.42 C ATOM 305 OE1 GLU A 21 0.032 5.270 0.668 1.00 12.12 O ATOM 306 OE2 GLU A 21 1.133 3.419 0.040 1.00 64.31 O ATOM 0 H GLU A 21 -0.501 7.100 -3.511 1.00 13.33 H new ATOM 0 HA GLU A 21 -1.617 4.549 -3.605 1.00 32.12 H new ATOM 0 HB2 GLU A 21 -0.997 6.551 -1.469 1.00 31.21 H new ATOM 0 HB3 GLU A 21 -2.028 5.199 -1.044 1.00 31.21 H new ATOM 0 HG2 GLU A 21 -0.260 3.655 -2.084 1.00 24.41 H new ATOM 0 HG3 GLU A 21 0.783 5.056 -2.224 1.00 24.41 H new ATOM 313 N GLY A 22 -4.052 4.627 -2.847 1.00 23.13 N ATOM 314 CA GLY A 22 -5.504 4.660 -2.792 1.00 5.51 C ATOM 315 C GLY A 22 -6.028 3.828 -1.619 1.00 50.54 C ATOM 316 O GLY A 22 -5.291 3.545 -0.677 1.00 4.23 O ATOM 0 H GLY A 22 -3.638 3.719 -2.637 1.00 23.13 H new ATOM 0 HA2 GLY A 22 -5.844 5.691 -2.692 1.00 5.51 H new ATOM 0 HA3 GLY A 22 -5.916 4.278 -3.726 1.00 5.51 H new ATOM 320 N GLY A 23 -7.296 3.461 -1.717 1.00 32.21 N ATOM 321 CA GLY A 23 -7.927 2.666 -0.676 1.00 74.24 C ATOM 322 C GLY A 23 -8.107 1.216 -1.127 1.00 23.40 C ATOM 323 O GLY A 23 -7.756 0.288 -0.398 1.00 44.04 O ATOM 0 H GLY A 23 -7.904 3.699 -2.500 1.00 32.21 H new ATOM 0 HA2 GLY A 23 -7.319 2.696 0.228 1.00 74.24 H new ATOM 0 HA3 GLY A 23 -8.897 3.095 -0.423 1.00 74.24 H new ATOM 327 N GLY A 24 -8.652 1.063 -2.325 1.00 10.42 N ATOM 328 CA GLY A 24 -8.882 -0.259 -2.880 1.00 44.45 C ATOM 329 C GLY A 24 -7.558 -0.949 -3.217 1.00 75.41 C ATOM 330 O GLY A 24 -6.493 -0.349 -3.097 1.00 41.03 O ATOM 0 H GLY A 24 -8.941 1.834 -2.927 1.00 10.42 H new ATOM 0 HA2 GLY A 24 -9.441 -0.865 -2.167 1.00 44.45 H new ATOM 0 HA3 GLY A 24 -9.494 -0.179 -3.779 1.00 44.45 H new ATOM 334 N THR A 25 -7.671 -2.203 -3.631 1.00 73.11 N ATOM 335 CA THR A 25 -6.497 -2.982 -3.986 1.00 20.44 C ATOM 336 C THR A 25 -6.445 -3.210 -5.497 1.00 43.34 C ATOM 337 O THR A 25 -7.481 -3.357 -6.143 1.00 51.43 O ATOM 338 CB THR A 25 -6.530 -4.281 -3.176 1.00 42.32 C ATOM 339 OG1 THR A 25 -6.037 -3.903 -1.894 1.00 42.40 O ATOM 340 CG2 THR A 25 -5.513 -5.309 -3.678 1.00 54.03 C ATOM 0 H THR A 25 -8.557 -2.698 -3.728 1.00 73.11 H new ATOM 0 HA THR A 25 -5.579 -2.450 -3.738 1.00 20.44 H new ATOM 0 HB THR A 25 -7.531 -4.710 -3.218 1.00 42.32 H new ATOM 0 HG1 THR A 25 -6.026 -4.685 -1.304 1.00 42.40 H new ATOM 0 HG21 THR A 25 -5.577 -6.211 -3.070 1.00 54.03 H new ATOM 0 HG22 THR A 25 -5.728 -5.556 -4.718 1.00 54.03 H new ATOM 0 HG23 THR A 25 -4.508 -4.893 -3.604 1.00 54.03 H new ATOM 348 N LEU A 26 -5.227 -3.232 -6.018 1.00 50.32 N ATOM 349 CA LEU A 26 -5.025 -3.439 -7.442 1.00 12.22 C ATOM 350 C LEU A 26 -5.248 -4.915 -7.775 1.00 62.42 C ATOM 351 O LEU A 26 -4.503 -5.778 -7.312 1.00 21.41 O ATOM 352 CB LEU A 26 -3.655 -2.911 -7.872 1.00 22.32 C ATOM 353 CG LEU A 26 -3.212 -1.595 -7.230 1.00 23.14 C ATOM 354 CD1 LEU A 26 -1.702 -1.392 -7.382 1.00 12.21 C ATOM 355 CD2 LEU A 26 -4.007 -0.415 -7.791 1.00 31.02 C ATOM 0 H LEU A 26 -4.370 -3.110 -5.479 1.00 50.32 H new ATOM 0 HA LEU A 26 -5.755 -2.869 -8.017 1.00 12.22 H new ATOM 0 HB2 LEU A 26 -2.908 -3.672 -7.647 1.00 22.32 H new ATOM 0 HB3 LEU A 26 -3.661 -2.780 -8.954 1.00 22.32 H new ATOM 0 HG LEU A 26 -3.425 -1.648 -6.162 1.00 23.14 H new ATOM 0 HD11 LEU A 26 -1.413 -0.449 -6.917 1.00 12.21 H new ATOM 0 HD12 LEU A 26 -1.174 -2.213 -6.897 1.00 12.21 H new ATOM 0 HD13 LEU A 26 -1.443 -1.369 -8.440 1.00 12.21 H new ATOM 0 HD21 LEU A 26 -3.672 0.508 -7.317 1.00 31.02 H new ATOM 0 HD22 LEU A 26 -3.849 -0.349 -8.867 1.00 31.02 H new ATOM 0 HD23 LEU A 26 -5.068 -0.562 -7.589 1.00 31.02 H new ATOM 367 N VAL A 27 -6.275 -5.160 -8.575 1.00 23.45 N ATOM 368 CA VAL A 27 -6.604 -6.519 -8.975 1.00 14.22 C ATOM 369 C VAL A 27 -6.325 -6.687 -10.469 1.00 72.10 C ATOM 370 O VAL A 27 -6.513 -5.753 -11.249 1.00 25.43 O ATOM 371 CB VAL A 27 -8.053 -6.838 -8.598 1.00 24.43 C ATOM 372 CG1 VAL A 27 -8.553 -8.076 -9.344 1.00 50.34 C ATOM 373 CG2 VAL A 27 -8.198 -7.015 -7.085 1.00 14.22 C ATOM 0 H VAL A 27 -6.890 -4.442 -8.957 1.00 23.45 H new ATOM 0 HA VAL A 27 -5.978 -7.236 -8.444 1.00 14.22 H new ATOM 0 HB VAL A 27 -8.672 -5.993 -8.898 1.00 24.43 H new ATOM 0 HG11 VAL A 27 -9.585 -8.281 -9.058 1.00 50.34 H new ATOM 0 HG12 VAL A 27 -8.502 -7.899 -10.418 1.00 50.34 H new ATOM 0 HG13 VAL A 27 -7.929 -8.932 -9.088 1.00 50.34 H new ATOM 0 HG21 VAL A 27 -9.237 -7.241 -6.843 1.00 14.22 H new ATOM 0 HG22 VAL A 27 -7.561 -7.835 -6.752 1.00 14.22 H new ATOM 0 HG23 VAL A 27 -7.900 -6.096 -6.581 1.00 14.22 H new ATOM 383 N CYS A 28 -5.881 -7.883 -10.824 1.00 61.44 N ATOM 384 CA CYS A 28 -5.574 -8.186 -12.212 1.00 72.20 C ATOM 385 C CYS A 28 -5.754 -9.691 -12.427 1.00 11.32 C ATOM 386 O CYS A 28 -5.217 -10.498 -11.670 1.00 5.12 O ATOM 387 CB CYS A 28 -4.168 -7.720 -12.595 1.00 12.41 C ATOM 388 SG CYS A 28 -3.843 -7.662 -14.396 1.00 0.53 S ATOM 0 H CYS A 28 -5.726 -8.654 -10.175 1.00 61.44 H new ATOM 0 HA CYS A 28 -6.257 -7.642 -12.865 1.00 72.20 H new ATOM 0 HB2 CYS A 28 -4.004 -6.726 -12.178 1.00 12.41 H new ATOM 0 HB3 CYS A 28 -3.441 -8.385 -12.130 1.00 12.41 H new ATOM 393 N CYS A 29 -6.513 -10.022 -13.461 1.00 44.30 N ATOM 394 CA CYS A 29 -6.770 -11.415 -13.785 1.00 21.23 C ATOM 395 C CYS A 29 -7.406 -12.082 -12.565 1.00 14.23 C ATOM 396 O CYS A 29 -7.019 -13.185 -12.182 1.00 41.03 O ATOM 397 CB CYS A 29 -5.497 -12.137 -14.231 1.00 50.33 C ATOM 398 SG CYS A 29 -4.640 -11.371 -15.655 1.00 3.03 S ATOM 0 H CYS A 29 -6.958 -9.350 -14.085 1.00 44.30 H new ATOM 0 HA CYS A 29 -7.457 -11.473 -14.630 1.00 21.23 H new ATOM 0 HB2 CYS A 29 -4.806 -12.179 -13.389 1.00 50.33 H new ATOM 0 HB3 CYS A 29 -5.750 -13.166 -14.488 1.00 50.33 H new ATOM 403 N GLY A 30 -8.373 -11.384 -11.985 1.00 73.23 N ATOM 404 CA GLY A 30 -9.067 -11.896 -10.816 1.00 10.23 C ATOM 405 C GLY A 30 -8.077 -12.272 -9.712 1.00 23.32 C ATOM 406 O GLY A 30 -8.338 -13.178 -8.921 1.00 21.23 O ATOM 0 H GLY A 30 -8.691 -10.469 -12.303 1.00 73.23 H new ATOM 0 HA2 GLY A 30 -9.764 -11.145 -10.444 1.00 10.23 H new ATOM 0 HA3 GLY A 30 -9.658 -12.769 -11.093 1.00 10.23 H new ATOM 410 N GLU A 31 -6.961 -11.559 -9.693 1.00 63.32 N ATOM 411 CA GLU A 31 -5.930 -11.808 -8.700 1.00 1.31 C ATOM 412 C GLU A 31 -5.483 -10.492 -8.059 1.00 42.13 C ATOM 413 O GLU A 31 -5.616 -9.428 -8.660 1.00 43.25 O ATOM 414 CB GLU A 31 -4.742 -12.550 -9.316 1.00 3.23 C ATOM 415 CG GLU A 31 -3.537 -12.531 -8.374 1.00 65.40 C ATOM 416 CD GLU A 31 -2.459 -13.512 -8.844 1.00 1.33 C ATOM 417 OE1 GLU A 31 -2.705 -14.726 -8.896 1.00 54.43 O ATOM 418 OE2 GLU A 31 -1.332 -12.971 -9.162 1.00 61.44 O ATOM 0 H GLU A 31 -6.748 -10.808 -10.350 1.00 63.32 H new ATOM 0 HA GLU A 31 -6.349 -12.446 -7.921 1.00 1.31 H new ATOM 0 HB2 GLU A 31 -5.024 -13.581 -9.531 1.00 3.23 H new ATOM 0 HB3 GLU A 31 -4.473 -12.088 -10.266 1.00 3.23 H new ATOM 0 HG2 GLU A 31 -3.122 -11.524 -8.328 1.00 65.40 H new ATOM 0 HG3 GLU A 31 -3.856 -12.791 -7.365 1.00 65.40 H new ATOM 425 N ASP A 32 -4.960 -10.609 -6.847 1.00 53.35 N ATOM 426 CA ASP A 32 -4.492 -9.442 -6.118 1.00 51.14 C ATOM 427 C ASP A 32 -3.045 -9.144 -6.515 1.00 74.44 C ATOM 428 O ASP A 32 -2.121 -9.812 -6.054 1.00 73.24 O ATOM 429 CB ASP A 32 -4.527 -9.686 -4.608 1.00 23.23 C ATOM 430 CG ASP A 32 -4.106 -11.090 -4.170 1.00 12.34 C ATOM 431 OD1 ASP A 32 -3.089 -11.626 -4.635 1.00 75.12 O ATOM 432 OD2 ASP A 32 -4.881 -11.645 -3.300 1.00 1.43 O ATOM 0 H ASP A 32 -4.850 -11.494 -6.352 1.00 53.35 H new ATOM 0 HA ASP A 32 -5.147 -8.606 -6.364 1.00 51.14 H new ATOM 0 HB2 ASP A 32 -3.875 -8.960 -4.123 1.00 23.23 H new ATOM 0 HB3 ASP A 32 -5.538 -9.497 -4.248 1.00 23.23 H new ATOM 437 N MET A 33 -2.894 -8.142 -7.368 1.00 54.40 N ATOM 438 CA MET A 33 -1.575 -7.747 -7.833 1.00 31.31 C ATOM 439 C MET A 33 -0.551 -7.815 -6.699 1.00 11.03 C ATOM 440 O MET A 33 -0.813 -7.349 -5.591 1.00 50.12 O ATOM 441 CB MET A 33 -1.633 -6.321 -8.384 1.00 52.42 C ATOM 442 CG MET A 33 -1.896 -6.325 -9.892 1.00 10.22 C ATOM 443 SD MET A 33 -2.714 -4.813 -10.373 1.00 2.13 S ATOM 444 CE MET A 33 -1.435 -3.631 -9.982 1.00 23.44 C ATOM 0 H MET A 33 -3.663 -7.591 -7.750 1.00 54.40 H new ATOM 0 HA MET A 33 -1.266 -8.437 -8.618 1.00 31.31 H new ATOM 0 HB2 MET A 33 -2.419 -5.763 -7.876 1.00 52.42 H new ATOM 0 HB3 MET A 33 -0.693 -5.809 -8.177 1.00 52.42 H new ATOM 0 HG2 MET A 33 -0.955 -6.427 -10.433 1.00 10.22 H new ATOM 0 HG3 MET A 33 -2.513 -7.183 -10.160 1.00 10.22 H new ATOM 0 HE1 MET A 33 -1.775 -2.628 -10.240 1.00 23.44 H new ATOM 0 HE2 MET A 33 -1.212 -3.676 -8.916 1.00 23.44 H new ATOM 0 HE3 MET A 33 -0.536 -3.866 -10.551 1.00 23.44 H new ATOM 454 N VAL A 34 0.596 -8.400 -7.014 1.00 12.21 N ATOM 455 CA VAL A 34 1.661 -8.535 -6.035 1.00 54.12 C ATOM 456 C VAL A 34 2.592 -7.325 -6.131 1.00 32.41 C ATOM 457 O VAL A 34 2.552 -6.583 -7.110 1.00 41.15 O ATOM 458 CB VAL A 34 2.388 -9.867 -6.234 1.00 63.02 C ATOM 459 CG1 VAL A 34 3.321 -10.163 -5.057 1.00 72.13 C ATOM 460 CG2 VAL A 34 1.393 -11.009 -6.445 1.00 74.14 C ATOM 0 H VAL A 34 0.811 -8.786 -7.934 1.00 12.21 H new ATOM 0 HA VAL A 34 1.252 -8.551 -5.025 1.00 54.12 H new ATOM 0 HB VAL A 34 2.998 -9.784 -7.133 1.00 63.02 H new ATOM 0 HG11 VAL A 34 3.825 -11.115 -5.223 1.00 72.13 H new ATOM 0 HG12 VAL A 34 4.063 -9.369 -4.972 1.00 72.13 H new ATOM 0 HG13 VAL A 34 2.740 -10.216 -4.136 1.00 72.13 H new ATOM 0 HG21 VAL A 34 1.936 -11.944 -6.584 1.00 74.14 H new ATOM 0 HG22 VAL A 34 0.744 -11.092 -5.573 1.00 74.14 H new ATOM 0 HG23 VAL A 34 0.788 -10.806 -7.329 1.00 74.14 H new ATOM 470 N LYS A 35 3.408 -7.164 -5.099 1.00 62.35 N ATOM 471 CA LYS A 35 4.348 -6.057 -5.055 1.00 64.23 C ATOM 472 C LYS A 35 5.772 -6.596 -5.203 1.00 63.15 C ATOM 473 O LYS A 35 6.102 -7.649 -4.659 1.00 74.51 O ATOM 474 CB LYS A 35 4.135 -5.225 -3.789 1.00 44.42 C ATOM 475 CG LYS A 35 5.028 -5.719 -2.650 1.00 0.11 C ATOM 476 CD LYS A 35 6.357 -4.960 -2.625 1.00 54.12 C ATOM 477 CE LYS A 35 6.161 -3.530 -2.116 1.00 62.22 C ATOM 478 NZ LYS A 35 7.367 -2.715 -2.383 1.00 41.34 N ATOM 0 H LYS A 35 3.437 -7.781 -4.288 1.00 62.35 H new ATOM 0 HA LYS A 35 4.176 -5.377 -5.890 1.00 64.23 H new ATOM 0 HB2 LYS A 35 4.352 -4.177 -3.998 1.00 44.42 H new ATOM 0 HB3 LYS A 35 3.089 -5.280 -3.486 1.00 44.42 H new ATOM 0 HG2 LYS A 35 4.514 -5.590 -1.698 1.00 0.11 H new ATOM 0 HG3 LYS A 35 5.217 -6.786 -2.768 1.00 0.11 H new ATOM 0 HD2 LYS A 35 7.067 -5.484 -1.985 1.00 54.12 H new ATOM 0 HD3 LYS A 35 6.786 -4.938 -3.627 1.00 54.12 H new ATOM 0 HE2 LYS A 35 5.296 -3.080 -2.603 1.00 62.22 H new ATOM 0 HE3 LYS A 35 5.954 -3.544 -1.046 1.00 62.22 H new ATOM 0 HZ1 LYS A 35 7.117 -1.706 -2.354 1.00 41.34 H new ATOM 0 HZ2 LYS A 35 8.088 -2.914 -1.660 1.00 41.34 H new ATOM 0 HZ3 LYS A 35 7.745 -2.951 -3.323 1.00 41.34 H new ATOM 491 N GLN A 36 6.579 -5.850 -5.944 1.00 22.11 N ATOM 492 CA GLN A 36 7.960 -6.240 -6.171 1.00 24.04 C ATOM 493 C GLN A 36 8.839 -5.785 -5.003 1.00 22.31 C ATOM 494 O GLN A 36 10.023 -6.115 -4.948 1.00 33.25 O ATOM 495 CB GLN A 36 8.478 -5.679 -7.497 1.00 10.44 C ATOM 496 CG GLN A 36 7.392 -5.729 -8.574 1.00 33.14 C ATOM 497 CD GLN A 36 7.238 -7.145 -9.131 1.00 74.45 C ATOM 498 OE1 GLN A 36 6.095 -7.737 -8.796 1.00 13.40 O flip ATOM 499 NE2 GLN A 36 8.099 -7.666 -9.821 1.00 61.55 N flip ATOM 0 H GLN A 36 6.303 -4.978 -6.395 1.00 22.11 H new ATOM 0 HA GLN A 36 8.004 -7.327 -6.232 1.00 24.04 H new ATOM 0 HB2 GLN A 36 8.809 -4.650 -7.356 1.00 10.44 H new ATOM 0 HB3 GLN A 36 9.346 -6.251 -7.824 1.00 10.44 H new ATOM 0 HG2 GLN A 36 6.443 -5.394 -8.155 1.00 33.14 H new ATOM 0 HG3 GLN A 36 7.644 -5.042 -9.382 1.00 33.14 H new ATOM 0 HE21 GLN A 36 8.954 -7.156 -10.041 1.00 61.55 H new ATOM 0 HE22 GLN A 36 7.963 -8.612 -10.178 1.00 61.55 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -2.801 -0.553 -24.036 1.00 10.42 N ATOM 510 CA ALA B 1 -2.389 0.478 -23.097 1.00 73.03 C ATOM 511 C ALA B 1 -1.054 1.069 -23.550 1.00 5.04 C ATOM 512 O ALA B 1 -0.927 2.284 -23.700 1.00 21.21 O ATOM 513 CB ALA B 1 -2.319 -0.114 -21.688 1.00 22.01 C ATOM 0 H1 ALA B 1 -3.733 -0.922 -23.759 1.00 10.42 H new ATOM 0 H2 ALA B 1 -2.859 -0.149 -24.992 1.00 10.42 H new ATOM 0 H3 ALA B 1 -2.106 -1.327 -24.029 1.00 10.42 H new ATOM 0 HA ALA B 1 -3.116 1.290 -23.073 1.00 73.03 H new ATOM 0 HB1 ALA B 1 -2.010 0.658 -20.984 1.00 22.01 H new ATOM 0 HB2 ALA B 1 -3.301 -0.493 -21.403 1.00 22.01 H new ATOM 0 HB3 ALA B 1 -1.596 -0.930 -21.672 1.00 22.01 H new ATOM 519 N ASN B 2 -0.089 0.184 -23.754 1.00 51.22 N ATOM 520 CA ASN B 2 1.233 0.604 -24.186 1.00 24.32 C ATOM 521 C ASN B 2 2.010 1.142 -22.984 1.00 20.22 C ATOM 522 O ASN B 2 1.482 1.931 -22.202 1.00 24.14 O ATOM 523 CB ASN B 2 1.144 1.719 -25.229 1.00 74.42 C ATOM 524 CG ASN B 2 2.053 1.426 -26.425 1.00 12.41 C ATOM 525 OD1 ASN B 2 3.245 1.201 -26.291 1.00 14.14 O ATOM 526 ND2 ASN B 2 1.426 1.441 -27.597 1.00 71.03 N ATOM 0 H ASN B 2 -0.197 -0.822 -23.628 1.00 51.22 H new ATOM 0 HA ASN B 2 1.734 -0.259 -24.624 1.00 24.32 H new ATOM 0 HB2 ASN B 2 0.113 1.823 -25.568 1.00 74.42 H new ATOM 0 HB3 ASN B 2 1.428 2.669 -24.776 1.00 74.42 H new ATOM 0 HD21 ASN B 2 1.945 1.257 -28.456 1.00 71.03 H new ATOM 0 HD22 ASN B 2 0.426 1.637 -27.638 1.00 71.03 H new ATOM 533 N GLU B 3 3.253 0.694 -22.874 1.00 11.14 N ATOM 534 CA GLU B 3 4.109 1.121 -21.780 1.00 53.41 C ATOM 535 C GLU B 3 4.161 2.649 -21.713 1.00 31.32 C ATOM 536 O GLU B 3 3.963 3.326 -22.721 1.00 25.11 O ATOM 537 CB GLU B 3 5.513 0.530 -21.919 1.00 14.54 C ATOM 538 CG GLU B 3 6.427 1.017 -20.792 1.00 72.44 C ATOM 539 CD GLU B 3 7.846 0.474 -20.965 1.00 63.13 C ATOM 540 OE1 GLU B 3 8.025 -0.649 -21.460 1.00 34.41 O ATOM 541 OE2 GLU B 3 8.784 1.263 -20.564 1.00 61.15 O ATOM 0 H GLU B 3 3.687 0.040 -23.525 1.00 11.14 H new ATOM 0 HA GLU B 3 3.686 0.750 -20.847 1.00 53.41 H new ATOM 0 HB2 GLU B 3 5.457 -0.558 -21.902 1.00 14.54 H new ATOM 0 HB3 GLU B 3 5.936 0.812 -22.883 1.00 14.54 H new ATOM 0 HG2 GLU B 3 6.449 2.107 -20.782 1.00 72.44 H new ATOM 0 HG3 GLU B 3 6.026 0.698 -19.830 1.00 72.44 H new ATOM 548 N GLY B 4 4.429 3.148 -20.515 1.00 33.13 N ATOM 549 CA GLY B 4 4.510 4.583 -20.303 1.00 53.43 C ATOM 550 C GLY B 4 3.117 5.191 -20.130 1.00 53.44 C ATOM 551 O GLY B 4 2.971 6.411 -20.075 1.00 13.20 O ATOM 0 H GLY B 4 4.593 2.584 -19.681 1.00 33.13 H new ATOM 0 HA2 GLY B 4 5.113 4.790 -19.419 1.00 53.43 H new ATOM 0 HA3 GLY B 4 5.013 5.051 -21.149 1.00 53.43 H new ATOM 555 N ASP B 5 2.128 4.313 -20.049 1.00 42.25 N ATOM 556 CA ASP B 5 0.752 4.748 -19.885 1.00 12.21 C ATOM 557 C ASP B 5 0.459 4.944 -18.396 1.00 14.05 C ATOM 558 O ASP B 5 1.114 4.343 -17.546 1.00 3.43 O ATOM 559 CB ASP B 5 -0.225 3.702 -20.425 1.00 15.42 C ATOM 560 CG ASP B 5 -0.830 4.028 -21.792 1.00 75.41 C ATOM 561 OD1 ASP B 5 0.012 4.439 -22.678 1.00 24.41 O ATOM 562 OD2 ASP B 5 -2.047 3.896 -22.000 1.00 64.02 O ATOM 0 H ASP B 5 2.253 3.302 -20.094 1.00 42.25 H new ATOM 0 HA ASP B 5 0.624 5.679 -20.437 1.00 12.21 H new ATOM 0 HB2 ASP B 5 0.292 2.744 -20.492 1.00 15.42 H new ATOM 0 HB3 ASP B 5 -1.035 3.578 -19.706 1.00 15.42 H new ATOM 567 N VAL B 6 -0.527 5.788 -18.126 1.00 32.30 N ATOM 568 CA VAL B 6 -0.915 6.071 -16.754 1.00 72.35 C ATOM 569 C VAL B 6 -2.412 5.802 -16.586 1.00 70.15 C ATOM 570 O VAL B 6 -3.208 6.137 -17.463 1.00 33.33 O ATOM 571 CB VAL B 6 -0.520 7.501 -16.383 1.00 65.10 C ATOM 572 CG1 VAL B 6 -1.493 8.091 -15.361 1.00 41.43 C ATOM 573 CG2 VAL B 6 0.919 7.555 -15.865 1.00 30.44 C ATOM 0 H VAL B 6 -1.068 6.285 -18.834 1.00 32.30 H new ATOM 0 HA VAL B 6 -0.387 5.413 -16.064 1.00 72.35 H new ATOM 0 HB VAL B 6 -0.574 8.109 -17.286 1.00 65.10 H new ATOM 0 HG11 VAL B 6 -1.189 9.108 -15.115 1.00 41.43 H new ATOM 0 HG12 VAL B 6 -2.499 8.104 -15.782 1.00 41.43 H new ATOM 0 HG13 VAL B 6 -1.486 7.481 -14.458 1.00 41.43 H new ATOM 0 HG21 VAL B 6 1.175 8.583 -15.608 1.00 30.44 H new ATOM 0 HG22 VAL B 6 1.011 6.926 -14.979 1.00 30.44 H new ATOM 0 HG23 VAL B 6 1.598 7.194 -16.638 1.00 30.44 H new ATOM 583 N TYR B 7 -2.750 5.201 -15.456 1.00 30.45 N ATOM 584 CA TYR B 7 -4.137 4.883 -15.161 1.00 64.20 C ATOM 585 C TYR B 7 -4.529 5.379 -13.768 1.00 33.21 C ATOM 586 O TYR B 7 -3.868 5.058 -12.782 1.00 51.01 O ATOM 587 CB TYR B 7 -4.236 3.357 -15.194 1.00 23.23 C ATOM 588 CG TYR B 7 -4.640 2.788 -16.555 1.00 64.13 C ATOM 589 CD1 TYR B 7 -3.806 2.946 -17.644 1.00 21.25 C ATOM 590 CD2 TYR B 7 -5.837 2.116 -16.696 1.00 1.23 C ATOM 591 CE1 TYR B 7 -4.186 2.410 -18.926 1.00 11.34 C ATOM 592 CE2 TYR B 7 -6.216 1.581 -17.977 1.00 35.30 C ATOM 593 CZ TYR B 7 -5.373 1.754 -19.029 1.00 44.41 C ATOM 594 OH TYR B 7 -5.731 1.249 -20.240 1.00 33.03 O ATOM 0 H TYR B 7 -2.087 4.925 -14.732 1.00 30.45 H new ATOM 0 HA TYR B 7 -4.802 5.360 -15.881 1.00 64.20 H new ATOM 0 HB2 TYR B 7 -3.273 2.935 -14.907 1.00 23.23 H new ATOM 0 HB3 TYR B 7 -4.961 3.034 -14.447 1.00 23.23 H new ATOM 0 HD1 TYR B 7 -2.869 3.471 -17.535 1.00 21.25 H new ATOM 0 HD2 TYR B 7 -6.490 1.992 -15.845 1.00 1.23 H new ATOM 0 HE1 TYR B 7 -3.543 2.526 -19.786 1.00 11.34 H new ATOM 0 HE2 TYR B 7 -7.150 1.053 -18.100 1.00 35.30 H new ATOM 0 HH TYR B 7 -6.602 0.806 -20.165 1.00 33.03 H new ATOM 604 N LYS B 8 -5.604 6.152 -13.732 1.00 41.21 N ATOM 605 CA LYS B 8 -6.093 6.696 -12.475 1.00 22.31 C ATOM 606 C LYS B 8 -7.536 6.239 -12.255 1.00 71.21 C ATOM 607 O LYS B 8 -8.209 5.821 -13.195 1.00 74.33 O ATOM 608 CB LYS B 8 -5.917 8.215 -12.444 1.00 44.52 C ATOM 609 CG LYS B 8 -6.495 8.808 -11.158 1.00 31.14 C ATOM 610 CD LYS B 8 -6.368 10.332 -11.150 1.00 40.33 C ATOM 611 CE LYS B 8 -7.632 10.986 -10.589 1.00 72.32 C ATOM 612 NZ LYS B 8 -8.348 11.727 -11.652 1.00 41.12 N ATOM 0 H LYS B 8 -6.151 6.415 -14.552 1.00 41.21 H new ATOM 0 HA LYS B 8 -5.506 6.314 -11.640 1.00 22.31 H new ATOM 0 HB2 LYS B 8 -4.858 8.464 -12.519 1.00 44.52 H new ATOM 0 HB3 LYS B 8 -6.411 8.660 -13.308 1.00 44.52 H new ATOM 0 HG2 LYS B 8 -7.544 8.527 -11.063 1.00 31.14 H new ATOM 0 HG3 LYS B 8 -5.974 8.392 -10.296 1.00 31.14 H new ATOM 0 HD2 LYS B 8 -5.506 10.625 -10.551 1.00 40.33 H new ATOM 0 HD3 LYS B 8 -6.188 10.691 -12.164 1.00 40.33 H new ATOM 0 HE2 LYS B 8 -8.286 10.224 -10.166 1.00 72.32 H new ATOM 0 HE3 LYS B 8 -7.368 11.665 -9.779 1.00 72.32 H new ATOM 0 HZ1 LYS B 8 -9.203 12.165 -11.254 1.00 41.12 H new ATOM 0 HZ2 LYS B 8 -7.727 12.467 -12.037 1.00 41.12 H new ATOM 0 HZ3 LYS B 8 -8.617 11.070 -12.412 1.00 41.12 H new ATOM 625 N CYS B 9 -7.969 6.336 -11.007 1.00 34.53 N ATOM 626 CA CYS B 9 -9.320 5.937 -10.650 1.00 11.40 C ATOM 627 C CYS B 9 -10.163 7.202 -10.472 1.00 40.22 C ATOM 628 O CYS B 9 -9.627 8.310 -10.443 1.00 74.53 O ATOM 629 CB CYS B 9 -9.340 5.058 -9.398 1.00 12.21 C ATOM 630 SG CYS B 9 -10.947 4.249 -9.053 1.00 12.52 S ATOM 0 H CYS B 9 -7.408 6.685 -10.230 1.00 34.53 H new ATOM 0 HA CYS B 9 -9.744 5.327 -11.448 1.00 11.40 H new ATOM 0 HB2 CYS B 9 -8.576 4.288 -9.500 1.00 12.21 H new ATOM 0 HB3 CYS B 9 -9.064 5.669 -8.538 1.00 12.21 H new ATOM 635 N GLU B 10 -11.466 6.996 -10.359 1.00 32.43 N ATOM 636 CA GLU B 10 -12.388 8.106 -10.185 1.00 30.31 C ATOM 637 C GLU B 10 -12.961 8.102 -8.766 1.00 44.11 C ATOM 638 O GLU B 10 -13.545 9.092 -8.327 1.00 30.22 O ATOM 639 CB GLU B 10 -13.506 8.060 -11.228 1.00 62.32 C ATOM 640 CG GLU B 10 -13.083 7.238 -12.448 1.00 41.15 C ATOM 641 CD GLU B 10 -14.176 7.246 -13.519 1.00 52.12 C ATOM 642 OE1 GLU B 10 -14.296 8.354 -14.169 1.00 21.22 O ATOM 643 OE2 GLU B 10 -14.868 6.233 -13.707 1.00 10.43 O ATOM 0 H GLU B 10 -11.906 6.076 -10.384 1.00 32.43 H new ATOM 0 HA GLU B 10 -11.838 9.036 -10.332 1.00 30.31 H new ATOM 0 HB2 GLU B 10 -14.403 7.627 -10.786 1.00 62.32 H new ATOM 0 HB3 GLU B 10 -13.761 9.073 -11.538 1.00 62.32 H new ATOM 0 HG2 GLU B 10 -12.160 7.643 -12.862 1.00 41.15 H new ATOM 0 HG3 GLU B 10 -12.873 6.212 -12.145 1.00 41.15 H new ATOM 650 N LEU B 11 -12.773 6.979 -8.090 1.00 14.05 N ATOM 651 CA LEU B 11 -13.265 6.834 -6.730 1.00 21.23 C ATOM 652 C LEU B 11 -12.094 6.963 -5.753 1.00 33.13 C ATOM 653 O LEU B 11 -11.921 8.004 -5.120 1.00 71.24 O ATOM 654 CB LEU B 11 -14.050 5.530 -6.580 1.00 73.31 C ATOM 655 CG LEU B 11 -15.048 5.216 -7.697 1.00 34.44 C ATOM 656 CD1 LEU B 11 -15.770 3.893 -7.431 1.00 32.21 C ATOM 657 CD2 LEU B 11 -16.027 6.373 -7.898 1.00 73.24 C ATOM 0 H LEU B 11 -12.287 6.161 -8.458 1.00 14.05 H new ATOM 0 HA LEU B 11 -13.969 7.631 -6.492 1.00 21.23 H new ATOM 0 HB2 LEU B 11 -13.339 4.707 -6.513 1.00 73.31 H new ATOM 0 HB3 LEU B 11 -14.591 5.562 -5.634 1.00 73.31 H new ATOM 0 HG LEU B 11 -14.493 5.098 -8.628 1.00 34.44 H new ATOM 0 HD11 LEU B 11 -16.473 3.693 -8.239 1.00 32.21 H new ATOM 0 HD12 LEU B 11 -15.041 3.085 -7.377 1.00 32.21 H new ATOM 0 HD13 LEU B 11 -16.311 3.957 -6.487 1.00 32.21 H new ATOM 0 HD21 LEU B 11 -16.725 6.124 -8.697 1.00 73.24 H new ATOM 0 HD22 LEU B 11 -16.579 6.547 -6.975 1.00 73.24 H new ATOM 0 HD23 LEU B 11 -15.475 7.274 -8.166 1.00 73.24 H new ATOM 669 N CYS B 12 -11.322 5.891 -5.660 1.00 11.03 N ATOM 670 CA CYS B 12 -10.173 5.870 -4.771 1.00 53.22 C ATOM 671 C CYS B 12 -9.185 6.941 -5.238 1.00 53.34 C ATOM 672 O CYS B 12 -8.315 7.362 -4.478 1.00 12.43 O ATOM 673 CB CYS B 12 -9.528 4.485 -4.712 1.00 64.35 C ATOM 674 SG CYS B 12 -9.000 3.815 -6.332 1.00 23.43 S ATOM 0 H CYS B 12 -11.470 5.030 -6.186 1.00 11.03 H new ATOM 0 HA CYS B 12 -10.494 6.092 -3.753 1.00 53.22 H new ATOM 0 HB2 CYS B 12 -8.661 4.531 -4.054 1.00 64.35 H new ATOM 0 HB3 CYS B 12 -10.235 3.789 -4.260 1.00 64.35 H new ATOM 679 N GLY B 13 -9.353 7.351 -6.487 1.00 74.11 N ATOM 680 CA GLY B 13 -8.487 8.365 -7.064 1.00 43.01 C ATOM 681 C GLY B 13 -7.029 7.900 -7.074 1.00 75.12 C ATOM 682 O GLY B 13 -6.113 8.718 -7.004 1.00 21.34 O ATOM 0 H GLY B 13 -10.076 6.999 -7.115 1.00 74.11 H new ATOM 0 HA2 GLY B 13 -8.809 8.587 -8.082 1.00 43.01 H new ATOM 0 HA3 GLY B 13 -8.574 9.290 -6.494 1.00 43.01 H new ATOM 686 N GLN B 14 -6.861 6.589 -7.163 1.00 71.43 N ATOM 687 CA GLN B 14 -5.530 6.006 -7.184 1.00 34.23 C ATOM 688 C GLN B 14 -4.913 6.141 -8.577 1.00 21.14 C ATOM 689 O GLN B 14 -5.594 5.949 -9.583 1.00 74.10 O ATOM 690 CB GLN B 14 -5.567 4.541 -6.741 1.00 0.24 C ATOM 691 CG GLN B 14 -4.207 3.871 -6.949 1.00 50.30 C ATOM 692 CD GLN B 14 -3.811 3.043 -5.724 1.00 53.32 C ATOM 693 OE1 GLN B 14 -2.830 3.314 -5.051 1.00 71.41 O ATOM 694 NE2 GLN B 14 -4.626 2.022 -5.476 1.00 22.34 N ATOM 0 H GLN B 14 -7.624 5.914 -7.221 1.00 71.43 H new ATOM 0 HA GLN B 14 -4.905 6.551 -6.477 1.00 34.23 H new ATOM 0 HB2 GLN B 14 -5.848 4.482 -5.690 1.00 0.24 H new ATOM 0 HB3 GLN B 14 -6.330 4.006 -7.306 1.00 0.24 H new ATOM 0 HG2 GLN B 14 -4.244 3.230 -7.829 1.00 50.30 H new ATOM 0 HG3 GLN B 14 -3.449 4.630 -7.140 1.00 50.30 H new ATOM 0 HE21 GLN B 14 -5.430 1.853 -6.081 1.00 22.34 H new ATOM 0 HE22 GLN B 14 -4.447 1.408 -4.681 1.00 22.34 H new ATOM 703 N VAL B 15 -3.630 6.470 -8.591 1.00 44.33 N ATOM 704 CA VAL B 15 -2.913 6.633 -9.844 1.00 4.44 C ATOM 705 C VAL B 15 -1.775 5.613 -9.913 1.00 60.31 C ATOM 706 O VAL B 15 -1.045 5.425 -8.941 1.00 51.20 O ATOM 707 CB VAL B 15 -2.429 8.078 -9.985 1.00 64.34 C ATOM 708 CG1 VAL B 15 -1.787 8.309 -11.355 1.00 42.10 C ATOM 709 CG2 VAL B 15 -3.570 9.066 -9.740 1.00 74.24 C ATOM 0 H VAL B 15 -3.068 6.628 -7.754 1.00 44.33 H new ATOM 0 HA VAL B 15 -3.574 6.440 -10.689 1.00 4.44 H new ATOM 0 HB VAL B 15 -1.668 8.252 -9.224 1.00 64.34 H new ATOM 0 HG11 VAL B 15 -1.452 9.343 -11.430 1.00 42.10 H new ATOM 0 HG12 VAL B 15 -0.934 7.641 -11.474 1.00 42.10 H new ATOM 0 HG13 VAL B 15 -2.518 8.107 -12.138 1.00 42.10 H new ATOM 0 HG21 VAL B 15 -3.198 10.085 -9.847 1.00 74.24 H new ATOM 0 HG22 VAL B 15 -4.364 8.892 -10.466 1.00 74.24 H new ATOM 0 HG23 VAL B 15 -3.962 8.926 -8.733 1.00 74.24 H new ATOM 719 N VAL B 16 -1.661 4.978 -11.070 1.00 41.11 N ATOM 720 CA VAL B 16 -0.625 3.981 -11.278 1.00 41.44 C ATOM 721 C VAL B 16 -0.086 4.101 -12.705 1.00 42.43 C ATOM 722 O VAL B 16 -0.727 4.704 -13.566 1.00 73.12 O ATOM 723 CB VAL B 16 -1.170 2.587 -10.961 1.00 71.24 C ATOM 724 CG1 VAL B 16 -1.421 2.425 -9.460 1.00 53.03 C ATOM 725 CG2 VAL B 16 -2.439 2.298 -11.765 1.00 30.42 C ATOM 0 H VAL B 16 -2.269 5.135 -11.874 1.00 41.11 H new ATOM 0 HA VAL B 16 0.211 4.152 -10.599 1.00 41.44 H new ATOM 0 HB VAL B 16 -0.415 1.857 -11.255 1.00 71.24 H new ATOM 0 HG11 VAL B 16 -1.808 1.426 -9.262 1.00 53.03 H new ATOM 0 HG12 VAL B 16 -0.486 2.566 -8.917 1.00 53.03 H new ATOM 0 HG13 VAL B 16 -2.148 3.168 -9.130 1.00 53.03 H new ATOM 0 HG21 VAL B 16 -2.805 1.301 -11.521 1.00 30.42 H new ATOM 0 HG22 VAL B 16 -3.202 3.036 -11.518 1.00 30.42 H new ATOM 0 HG23 VAL B 16 -2.215 2.351 -12.830 1.00 30.42 H new ATOM 735 N LYS B 17 1.086 3.520 -12.913 1.00 1.22 N ATOM 736 CA LYS B 17 1.718 3.555 -14.220 1.00 72.33 C ATOM 737 C LYS B 17 1.689 2.153 -14.834 1.00 2.53 C ATOM 738 O LYS B 17 1.527 1.164 -14.121 1.00 63.51 O ATOM 739 CB LYS B 17 3.123 4.153 -14.120 1.00 55.23 C ATOM 740 CG LYS B 17 3.546 4.782 -15.450 1.00 23.31 C ATOM 741 CD LYS B 17 4.961 4.346 -15.836 1.00 70.24 C ATOM 742 CE LYS B 17 4.956 2.934 -16.427 1.00 3.41 C ATOM 743 NZ LYS B 17 4.836 2.990 -17.902 1.00 25.34 N ATOM 0 H LYS B 17 1.615 3.022 -12.197 1.00 1.22 H new ATOM 0 HA LYS B 17 1.165 4.210 -14.893 1.00 72.33 H new ATOM 0 HB2 LYS B 17 3.146 4.907 -13.333 1.00 55.23 H new ATOM 0 HB3 LYS B 17 3.834 3.376 -13.838 1.00 55.23 H new ATOM 0 HG2 LYS B 17 2.846 4.492 -16.233 1.00 23.31 H new ATOM 0 HG3 LYS B 17 3.505 5.868 -15.372 1.00 23.31 H new ATOM 0 HD2 LYS B 17 5.377 5.046 -16.561 1.00 70.24 H new ATOM 0 HD3 LYS B 17 5.607 4.375 -14.958 1.00 70.24 H new ATOM 0 HE2 LYS B 17 5.873 2.414 -16.150 1.00 3.41 H new ATOM 0 HE3 LYS B 17 4.127 2.362 -16.010 1.00 3.41 H new ATOM 0 HZ1 LYS B 17 4.681 2.031 -18.274 1.00 25.34 H new ATOM 0 HZ2 LYS B 17 4.032 3.597 -18.162 1.00 25.34 H new ATOM 0 HZ3 LYS B 17 5.710 3.381 -18.307 1.00 25.34 H new ATOM 756 N VAL B 18 1.849 2.114 -16.148 1.00 73.04 N ATOM 757 CA VAL B 18 1.843 0.850 -16.866 1.00 2.24 C ATOM 758 C VAL B 18 3.250 0.561 -17.393 1.00 42.24 C ATOM 759 O VAL B 18 3.568 0.891 -18.535 1.00 72.40 O ATOM 760 CB VAL B 18 0.785 0.880 -17.970 1.00 62.40 C ATOM 761 CG1 VAL B 18 0.908 -0.344 -18.880 1.00 73.03 C ATOM 762 CG2 VAL B 18 -0.622 0.983 -17.378 1.00 32.34 C ATOM 0 H VAL B 18 1.984 2.937 -16.735 1.00 73.04 H new ATOM 0 HA VAL B 18 1.572 0.033 -16.198 1.00 2.24 H new ATOM 0 HB VAL B 18 0.959 1.768 -18.577 1.00 62.40 H new ATOM 0 HG11 VAL B 18 0.144 -0.298 -19.656 1.00 73.03 H new ATOM 0 HG12 VAL B 18 1.895 -0.356 -19.342 1.00 73.03 H new ATOM 0 HG13 VAL B 18 0.772 -1.251 -18.291 1.00 73.03 H new ATOM 0 HG21 VAL B 18 -1.355 1.003 -18.184 1.00 32.34 H new ATOM 0 HG22 VAL B 18 -0.811 0.122 -16.737 1.00 32.34 H new ATOM 0 HG23 VAL B 18 -0.704 1.898 -16.791 1.00 32.34 H new ATOM 772 N LEU B 19 4.055 -0.051 -16.538 1.00 11.23 N ATOM 773 CA LEU B 19 5.420 -0.387 -16.902 1.00 41.25 C ATOM 774 C LEU B 19 5.403 -1.485 -17.968 1.00 33.22 C ATOM 775 O LEU B 19 6.182 -1.445 -18.919 1.00 62.23 O ATOM 776 CB LEU B 19 6.234 -0.749 -15.660 1.00 23.44 C ATOM 777 CG LEU B 19 7.734 -0.456 -15.731 1.00 65.03 C ATOM 778 CD1 LEU B 19 8.392 -1.234 -16.872 1.00 63.11 C ATOM 779 CD2 LEU B 19 7.994 1.048 -15.839 1.00 2.42 C ATOM 0 H LEU B 19 3.787 -0.323 -15.592 1.00 11.23 H new ATOM 0 HA LEU B 19 5.920 0.477 -17.340 1.00 41.25 H new ATOM 0 HB2 LEU B 19 5.819 -0.210 -14.808 1.00 23.44 H new ATOM 0 HB3 LEU B 19 6.101 -1.812 -15.460 1.00 23.44 H new ATOM 0 HG LEU B 19 8.192 -0.797 -14.803 1.00 65.03 H new ATOM 0 HD11 LEU B 19 9.458 -1.007 -16.900 1.00 63.11 H new ATOM 0 HD12 LEU B 19 8.252 -2.303 -16.711 1.00 63.11 H new ATOM 0 HD13 LEU B 19 7.935 -0.947 -17.819 1.00 63.11 H new ATOM 0 HD21 LEU B 19 9.068 1.229 -15.888 1.00 2.42 H new ATOM 0 HD22 LEU B 19 7.519 1.436 -16.740 1.00 2.42 H new ATOM 0 HD23 LEU B 19 7.580 1.552 -14.966 1.00 2.42 H new ATOM 791 N GLU B 20 4.505 -2.440 -17.773 1.00 1.13 N ATOM 792 CA GLU B 20 4.376 -3.547 -18.705 1.00 34.23 C ATOM 793 C GLU B 20 2.901 -3.902 -18.905 1.00 75.34 C ATOM 794 O GLU B 20 2.269 -4.471 -18.016 1.00 43.40 O ATOM 795 CB GLU B 20 5.172 -4.763 -18.225 1.00 70.04 C ATOM 796 CG GLU B 20 4.656 -6.048 -18.877 1.00 43.11 C ATOM 797 CD GLU B 20 4.894 -6.030 -20.389 1.00 1.21 C ATOM 798 OE1 GLU B 20 4.102 -5.262 -21.057 1.00 23.12 O ATOM 799 OE2 GLU B 20 5.796 -6.724 -20.882 1.00 34.30 O ATOM 0 H GLU B 20 3.860 -2.470 -16.983 1.00 1.13 H new ATOM 0 HA GLU B 20 4.790 -3.239 -19.665 1.00 34.23 H new ATOM 0 HB2 GLU B 20 6.227 -4.629 -18.463 1.00 70.04 H new ATOM 0 HB3 GLU B 20 5.098 -4.846 -17.141 1.00 70.04 H new ATOM 0 HG2 GLU B 20 5.157 -6.910 -18.437 1.00 43.11 H new ATOM 0 HG3 GLU B 20 3.591 -6.161 -18.674 1.00 43.11 H new ATOM 806 N GLU B 21 2.396 -3.553 -20.079 1.00 14.40 N ATOM 807 CA GLU B 21 1.007 -3.827 -20.408 1.00 34.12 C ATOM 808 C GLU B 21 0.682 -5.300 -20.151 1.00 61.12 C ATOM 809 O GLU B 21 1.571 -6.151 -20.186 1.00 34.13 O ATOM 810 CB GLU B 21 0.700 -3.442 -21.857 1.00 22.43 C ATOM 811 CG GLU B 21 1.455 -4.345 -22.834 1.00 54.44 C ATOM 812 CD GLU B 21 0.734 -4.416 -24.183 1.00 62.13 C ATOM 813 OE1 GLU B 21 -0.104 -3.553 -24.484 1.00 12.12 O ATOM 814 OE2 GLU B 21 1.072 -5.413 -24.930 1.00 15.34 O ATOM 0 H GLU B 21 2.924 -3.083 -20.814 1.00 14.40 H new ATOM 0 HA GLU B 21 0.374 -3.217 -19.763 1.00 34.12 H new ATOM 0 HB2 GLU B 21 -0.372 -3.519 -22.039 1.00 22.43 H new ATOM 0 HB3 GLU B 21 0.978 -2.402 -22.028 1.00 22.43 H new ATOM 0 HG2 GLU B 21 2.467 -3.966 -22.978 1.00 54.44 H new ATOM 0 HG3 GLU B 21 1.546 -5.346 -22.413 1.00 54.44 H new ATOM 821 N GLY B 22 -0.593 -5.556 -19.899 1.00 72.33 N ATOM 822 CA GLY B 22 -1.046 -6.912 -19.636 1.00 53.35 C ATOM 823 C GLY B 22 -2.129 -7.331 -20.634 1.00 22.33 C ATOM 824 O GLY B 22 -2.013 -7.064 -21.829 1.00 61.45 O ATOM 0 H GLY B 22 -1.327 -4.848 -19.871 1.00 72.33 H new ATOM 0 HA2 GLY B 22 -0.203 -7.600 -19.699 1.00 53.35 H new ATOM 0 HA3 GLY B 22 -1.437 -6.978 -18.621 1.00 53.35 H new ATOM 828 N GLY B 23 -3.156 -7.980 -20.105 1.00 64.22 N ATOM 829 CA GLY B 23 -4.258 -8.438 -20.934 1.00 65.44 C ATOM 830 C GLY B 23 -5.603 -8.134 -20.274 1.00 53.14 C ATOM 831 O GLY B 23 -6.526 -7.653 -20.932 1.00 61.30 O ATOM 0 H GLY B 23 -3.248 -8.199 -19.113 1.00 64.22 H new ATOM 0 HA2 GLY B 23 -4.210 -7.954 -21.909 1.00 65.44 H new ATOM 0 HA3 GLY B 23 -4.167 -9.511 -21.106 1.00 65.44 H new ATOM 835 N GLY B 24 -5.674 -8.425 -18.984 1.00 24.01 N ATOM 836 CA GLY B 24 -6.892 -8.188 -18.228 1.00 42.01 C ATOM 837 C GLY B 24 -7.102 -6.693 -17.982 1.00 53.53 C ATOM 838 O GLY B 24 -6.764 -5.867 -18.830 1.00 75.53 O ATOM 0 H GLY B 24 -4.907 -8.823 -18.442 1.00 24.01 H new ATOM 0 HA2 GLY B 24 -7.746 -8.594 -18.770 1.00 42.01 H new ATOM 0 HA3 GLY B 24 -6.841 -8.713 -17.274 1.00 42.01 H new ATOM 842 N THR B 25 -7.659 -6.388 -16.820 1.00 32.54 N ATOM 843 CA THR B 25 -7.919 -5.008 -16.452 1.00 2.53 C ATOM 844 C THR B 25 -7.482 -4.749 -15.009 1.00 4.15 C ATOM 845 O THR B 25 -7.502 -5.655 -14.178 1.00 63.52 O ATOM 846 CB THR B 25 -9.401 -4.723 -16.698 1.00 35.44 C ATOM 847 OG1 THR B 25 -9.479 -4.471 -18.098 1.00 72.44 O ATOM 848 CG2 THR B 25 -9.861 -3.412 -16.058 1.00 40.20 C ATOM 0 H THR B 25 -7.938 -7.075 -16.120 1.00 32.54 H new ATOM 0 HA THR B 25 -7.336 -4.320 -17.064 1.00 2.53 H new ATOM 0 HB THR B 25 -9.998 -5.547 -16.306 1.00 35.44 H new ATOM 0 HG1 THR B 25 -10.408 -4.278 -18.344 1.00 72.44 H new ATOM 0 HG21 THR B 25 -10.920 -3.259 -16.264 1.00 40.20 H new ATOM 0 HG22 THR B 25 -9.703 -3.458 -14.980 1.00 40.20 H new ATOM 0 HG23 THR B 25 -9.287 -2.583 -16.473 1.00 40.20 H new ATOM 856 N LEU B 26 -7.097 -3.506 -14.754 1.00 53.24 N ATOM 857 CA LEU B 26 -6.656 -3.117 -13.426 1.00 41.42 C ATOM 858 C LEU B 26 -7.868 -2.686 -12.597 1.00 50.31 C ATOM 859 O LEU B 26 -8.255 -1.519 -12.619 1.00 13.22 O ATOM 860 CB LEU B 26 -5.563 -2.051 -13.516 1.00 44.32 C ATOM 861 CG LEU B 26 -4.487 -2.281 -14.580 1.00 30.13 C ATOM 862 CD1 LEU B 26 -3.875 -0.956 -15.036 1.00 43.31 C ATOM 863 CD2 LEU B 26 -3.424 -3.263 -14.082 1.00 1.41 C ATOM 0 H LEU B 26 -7.082 -2.756 -15.445 1.00 53.24 H new ATOM 0 HA LEU B 26 -6.202 -3.964 -12.912 1.00 41.42 H new ATOM 0 HB2 LEU B 26 -6.037 -1.089 -13.709 1.00 44.32 H new ATOM 0 HB3 LEU B 26 -5.075 -1.977 -12.544 1.00 44.32 H new ATOM 0 HG LEU B 26 -4.960 -2.734 -15.452 1.00 30.13 H new ATOM 0 HD11 LEU B 26 -3.114 -1.148 -15.792 1.00 43.31 H new ATOM 0 HD12 LEU B 26 -4.654 -0.322 -15.459 1.00 43.31 H new ATOM 0 HD13 LEU B 26 -3.420 -0.452 -14.183 1.00 43.31 H new ATOM 0 HD21 LEU B 26 -2.672 -3.409 -14.857 1.00 1.41 H new ATOM 0 HD22 LEU B 26 -2.949 -2.862 -13.186 1.00 1.41 H new ATOM 0 HD23 LEU B 26 -3.893 -4.219 -13.847 1.00 1.41 H new ATOM 875 N VAL B 27 -8.432 -3.651 -11.886 1.00 24.13 N ATOM 876 CA VAL B 27 -9.591 -3.386 -11.051 1.00 50.33 C ATOM 877 C VAL B 27 -9.142 -2.671 -9.775 1.00 35.33 C ATOM 878 O VAL B 27 -7.988 -2.791 -9.365 1.00 13.42 O ATOM 879 CB VAL B 27 -10.345 -4.688 -10.774 1.00 42.21 C ATOM 880 CG1 VAL B 27 -11.271 -4.539 -9.566 1.00 33.32 C ATOM 881 CG2 VAL B 27 -11.124 -5.144 -12.009 1.00 43.14 C ATOM 0 H VAL B 27 -8.108 -4.618 -11.871 1.00 24.13 H new ATOM 0 HA VAL B 27 -10.289 -2.725 -11.565 1.00 50.33 H new ATOM 0 HB VAL B 27 -9.609 -5.457 -10.539 1.00 42.21 H new ATOM 0 HG11 VAL B 27 -11.795 -5.479 -9.391 1.00 33.32 H new ATOM 0 HG12 VAL B 27 -10.682 -4.282 -8.685 1.00 33.32 H new ATOM 0 HG13 VAL B 27 -11.997 -3.749 -9.759 1.00 33.32 H new ATOM 0 HG21 VAL B 27 -11.651 -6.072 -11.785 1.00 43.14 H new ATOM 0 HG22 VAL B 27 -11.845 -4.376 -12.289 1.00 43.14 H new ATOM 0 HG23 VAL B 27 -10.432 -5.310 -12.835 1.00 43.14 H new ATOM 891 N CYS B 28 -10.079 -1.945 -9.181 1.00 65.43 N ATOM 892 CA CYS B 28 -9.795 -1.211 -7.960 1.00 25.42 C ATOM 893 C CYS B 28 -11.099 -0.590 -7.457 1.00 70.22 C ATOM 894 O CYS B 28 -11.805 0.075 -8.213 1.00 11.11 O ATOM 895 CB CYS B 28 -8.706 -0.158 -8.173 1.00 2.15 C ATOM 896 SG CYS B 28 -9.267 1.364 -9.020 1.00 64.14 S ATOM 0 H CYS B 28 -11.035 -1.850 -9.523 1.00 65.43 H new ATOM 0 HA CYS B 28 -9.405 -1.894 -7.205 1.00 25.42 H new ATOM 0 HB2 CYS B 28 -8.289 0.115 -7.203 1.00 2.15 H new ATOM 0 HB3 CYS B 28 -7.898 -0.603 -8.753 1.00 2.15 H new ATOM 901 N CYS B 29 -11.380 -0.831 -6.185 1.00 71.11 N ATOM 902 CA CYS B 29 -12.588 -0.303 -5.573 1.00 63.41 C ATOM 903 C CYS B 29 -13.772 -0.636 -6.483 1.00 34.04 C ATOM 904 O CYS B 29 -14.412 0.262 -7.028 1.00 71.32 O ATOM 905 CB CYS B 29 -12.478 1.199 -5.307 1.00 4.44 C ATOM 906 SG CYS B 29 -12.556 2.251 -6.801 1.00 43.15 S ATOM 0 H CYS B 29 -10.792 -1.384 -5.561 1.00 71.11 H new ATOM 0 HA CYS B 29 -12.738 -0.767 -4.598 1.00 63.41 H new ATOM 0 HB2 CYS B 29 -13.280 1.493 -4.630 1.00 4.44 H new ATOM 0 HB3 CYS B 29 -11.538 1.394 -4.791 1.00 4.44 H new ATOM 911 N GLY B 30 -14.028 -1.929 -6.618 1.00 41.53 N ATOM 912 CA GLY B 30 -15.124 -2.391 -7.452 1.00 72.14 C ATOM 913 C GLY B 30 -15.262 -1.526 -8.707 1.00 64.22 C ATOM 914 O GLY B 30 -16.366 -1.330 -9.212 1.00 22.13 O ATOM 0 H GLY B 30 -13.495 -2.671 -6.164 1.00 41.53 H new ATOM 0 HA2 GLY B 30 -14.955 -3.429 -7.738 1.00 72.14 H new ATOM 0 HA3 GLY B 30 -16.054 -2.365 -6.884 1.00 72.14 H new ATOM 918 N GLU B 31 -14.124 -1.032 -9.173 1.00 55.43 N ATOM 919 CA GLU B 31 -14.104 -0.191 -10.358 1.00 72.23 C ATOM 920 C GLU B 31 -12.799 -0.393 -11.130 1.00 4.35 C ATOM 921 O GLU B 31 -11.719 -0.392 -10.541 1.00 1.55 O ATOM 922 CB GLU B 31 -14.303 1.281 -9.991 1.00 20.42 C ATOM 923 CG GLU B 31 -14.241 2.170 -11.235 1.00 3.03 C ATOM 924 CD GLU B 31 -14.340 3.649 -10.857 1.00 62.22 C ATOM 925 OE1 GLU B 31 -13.414 4.194 -10.239 1.00 42.44 O ATOM 926 OE2 GLU B 31 -15.428 4.235 -11.229 1.00 20.33 O ATOM 0 H GLU B 31 -13.210 -1.198 -8.752 1.00 55.43 H new ATOM 0 HA GLU B 31 -14.933 -0.485 -11.002 1.00 72.23 H new ATOM 0 HB2 GLU B 31 -15.266 1.409 -9.496 1.00 20.42 H new ATOM 0 HB3 GLU B 31 -13.536 1.589 -9.281 1.00 20.42 H new ATOM 0 HG2 GLU B 31 -13.308 1.989 -11.770 1.00 3.03 H new ATOM 0 HG3 GLU B 31 -15.053 1.909 -11.914 1.00 3.03 H new ATOM 933 N ASP B 32 -12.939 -0.561 -12.436 1.00 75.54 N ATOM 934 CA ASP B 32 -11.785 -0.764 -13.294 1.00 44.15 C ATOM 935 C ASP B 32 -11.068 0.572 -13.501 1.00 72.21 C ATOM 936 O ASP B 32 -11.515 1.405 -14.288 1.00 4.21 O ATOM 937 CB ASP B 32 -12.204 -1.293 -14.668 1.00 10.04 C ATOM 938 CG ASP B 32 -13.494 -0.689 -15.226 1.00 51.44 C ATOM 939 OD1 ASP B 32 -13.517 0.467 -15.671 1.00 51.41 O ATOM 940 OD2 ASP B 32 -14.521 -1.470 -15.192 1.00 63.22 O ATOM 0 H ASP B 32 -13.836 -0.561 -12.922 1.00 75.54 H new ATOM 0 HA ASP B 32 -11.131 -1.491 -12.812 1.00 44.15 H new ATOM 0 HB2 ASP B 32 -11.396 -1.104 -15.375 1.00 10.04 H new ATOM 0 HB3 ASP B 32 -12.325 -2.374 -14.603 1.00 10.04 H new ATOM 945 N MET B 33 -9.968 0.735 -12.780 1.00 1.15 N ATOM 946 CA MET B 33 -9.185 1.955 -12.874 1.00 62.14 C ATOM 947 C MET B 33 -9.230 2.526 -14.293 1.00 43.23 C ATOM 948 O MET B 33 -8.952 1.819 -15.260 1.00 33.11 O ATOM 949 CB MET B 33 -7.735 1.663 -12.486 1.00 61.25 C ATOM 950 CG MET B 33 -7.192 2.738 -11.544 1.00 44.44 C ATOM 951 SD MET B 33 -5.449 2.477 -11.258 1.00 71.34 S ATOM 952 CE MET B 33 -5.459 0.737 -10.858 1.00 41.12 C ATOM 0 H MET B 33 -9.601 0.042 -12.128 1.00 1.15 H new ATOM 0 HA MET B 33 -9.610 2.691 -12.192 1.00 62.14 H new ATOM 0 HB2 MET B 33 -7.673 0.687 -12.004 1.00 61.25 H new ATOM 0 HB3 MET B 33 -7.118 1.615 -13.383 1.00 61.25 H new ATOM 0 HG2 MET B 33 -7.354 3.726 -11.975 1.00 44.44 H new ATOM 0 HG3 MET B 33 -7.732 2.710 -10.598 1.00 44.44 H new ATOM 0 HE1 MET B 33 -4.491 0.453 -10.446 1.00 41.12 H new ATOM 0 HE2 MET B 33 -6.239 0.537 -10.123 1.00 41.12 H new ATOM 0 HE3 MET B 33 -5.654 0.157 -11.760 1.00 41.12 H new ATOM 962 N VAL B 34 -9.580 3.801 -14.372 1.00 52.45 N ATOM 963 CA VAL B 34 -9.663 4.476 -15.657 1.00 75.11 C ATOM 964 C VAL B 34 -8.259 4.874 -16.112 1.00 24.41 C ATOM 965 O VAL B 34 -7.334 4.934 -15.303 1.00 30.31 O ATOM 966 CB VAL B 34 -10.620 5.666 -15.562 1.00 14.31 C ATOM 967 CG1 VAL B 34 -11.040 6.146 -16.953 1.00 4.33 C ATOM 968 CG2 VAL B 34 -11.842 5.320 -14.709 1.00 55.11 C ATOM 0 H VAL B 34 -9.809 4.385 -13.568 1.00 52.45 H new ATOM 0 HA VAL B 34 -10.072 3.806 -16.414 1.00 75.11 H new ATOM 0 HB VAL B 34 -10.090 6.483 -15.072 1.00 14.31 H new ATOM 0 HG11 VAL B 34 -11.720 6.992 -16.856 1.00 4.33 H new ATOM 0 HG12 VAL B 34 -10.157 6.452 -17.514 1.00 4.33 H new ATOM 0 HG13 VAL B 34 -11.542 5.336 -17.481 1.00 4.33 H new ATOM 0 HG21 VAL B 34 -12.506 6.183 -14.658 1.00 55.11 H new ATOM 0 HG22 VAL B 34 -12.373 4.480 -15.157 1.00 55.11 H new ATOM 0 HG23 VAL B 34 -11.519 5.050 -13.703 1.00 55.11 H new ATOM 978 N LYS B 35 -8.141 5.135 -17.406 1.00 14.44 N ATOM 979 CA LYS B 35 -6.865 5.526 -17.978 1.00 12.40 C ATOM 980 C LYS B 35 -6.919 7.003 -18.376 1.00 62.24 C ATOM 981 O LYS B 35 -7.987 7.524 -18.694 1.00 2.43 O ATOM 982 CB LYS B 35 -6.485 4.592 -19.129 1.00 12.10 C ATOM 983 CG LYS B 35 -7.019 5.121 -20.462 1.00 43.24 C ATOM 984 CD LYS B 35 -5.960 5.958 -21.183 1.00 42.21 C ATOM 985 CE LYS B 35 -4.824 5.075 -21.703 1.00 24.21 C ATOM 986 NZ LYS B 35 -3.579 5.862 -21.845 1.00 44.42 N ATOM 0 H LYS B 35 -8.910 5.083 -18.075 1.00 14.44 H new ATOM 0 HA LYS B 35 -6.070 5.424 -17.240 1.00 12.40 H new ATOM 0 HB2 LYS B 35 -5.401 4.494 -19.180 1.00 12.10 H new ATOM 0 HB3 LYS B 35 -6.886 3.596 -18.942 1.00 12.10 H new ATOM 0 HG2 LYS B 35 -7.320 4.286 -21.094 1.00 43.24 H new ATOM 0 HG3 LYS B 35 -7.909 5.726 -20.287 1.00 43.24 H new ATOM 0 HD2 LYS B 35 -6.419 6.494 -22.014 1.00 42.21 H new ATOM 0 HD3 LYS B 35 -5.559 6.709 -20.502 1.00 42.21 H new ATOM 0 HE2 LYS B 35 -4.659 4.243 -21.018 1.00 24.21 H new ATOM 0 HE3 LYS B 35 -5.101 4.645 -22.666 1.00 24.21 H new ATOM 0 HZ1 LYS B 35 -2.810 5.240 -22.167 1.00 44.42 H new ATOM 0 HZ2 LYS B 35 -3.725 6.620 -22.542 1.00 44.42 H new ATOM 0 HZ3 LYS B 35 -3.326 6.280 -20.927 1.00 44.42 H new ATOM 999 N GLN B 36 -5.755 7.634 -18.345 1.00 64.42 N ATOM 1000 CA GLN B 36 -5.656 9.040 -18.699 1.00 23.21 C ATOM 1001 C GLN B 36 -5.235 9.191 -20.162 1.00 65.15 C ATOM 1002 O GLN B 36 -4.429 10.059 -20.493 1.00 54.34 O ATOM 1003 CB GLN B 36 -4.686 9.772 -17.770 1.00 63.11 C ATOM 1004 CG GLN B 36 -4.732 9.186 -16.357 1.00 42.43 C ATOM 1005 CD GLN B 36 -5.881 9.793 -15.549 1.00 43.04 C ATOM 1006 OE1 GLN B 36 -6.957 9.016 -15.474 1.00 3.15 O flip ATOM 1007 NE2 GLN B 36 -5.795 10.894 -15.030 1.00 14.34 N flip ATOM 0 H GLN B 36 -4.872 7.198 -18.080 1.00 64.42 H new ATOM 0 HA GLN B 36 -6.638 9.496 -18.576 1.00 23.21 H new ATOM 0 HB2 GLN B 36 -3.673 9.698 -18.165 1.00 63.11 H new ATOM 0 HB3 GLN B 36 -4.939 10.832 -17.736 1.00 63.11 H new ATOM 0 HG2 GLN B 36 -4.853 8.104 -16.412 1.00 42.43 H new ATOM 0 HG3 GLN B 36 -3.786 9.376 -15.850 1.00 42.43 H new ATOM 0 HE21 GLN B 36 -4.938 11.438 -15.127 1.00 14.34 H new ATOM 0 HE22 GLN B 36 -6.580 11.270 -14.499 1.00 14.34 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -3.082 -9.942 -14.870 1.00 34.24 ZN HETATM 1018 ZN ZN B 37 -10.534 2.749 -7.527 1.00 62.22 ZN