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 Single : A 1 ALA N :NH3+ -166:sc= -4.62! (180deg=-4.96!) USER MOD Single : A 2 ASN : amide:sc=-0.00191 X(o=-0.0019,f=-0.08) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -10! C(o=-10!,f=-10!) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -3.36! (180deg=-4.56!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -122:sc= -3.64! (180deg=-11.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.82! K(o=-2.8!,f=-1.3) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.0031 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -5.41! C(o=-5.4!,f=-7.3!) USER MOD Single : B 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0452) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 157:sc= -2.1 (180deg=-4.44!) USER MOD Single : B 35 LYS NZ :NH3+ -115:sc= 1.15 (180deg=-1.08) USER MOD Single : B 36 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.461 2.107 -1.809 1.00 21.31 N ATOM 2 CA ALA A 1 0.523 1.054 -1.628 1.00 22.12 C ATOM 3 C ALA A 1 1.920 1.674 -1.551 1.00 41.21 C ATOM 4 O ALA A 1 2.787 1.363 -2.366 1.00 11.24 O ATOM 5 CB ALA A 1 0.399 0.037 -2.765 1.00 1.03 C ATOM 0 H1 ALA A 1 -1.412 1.728 -1.626 1.00 21.31 H new ATOM 0 H2 ALA A 1 -0.264 2.884 -1.146 1.00 21.31 H new ATOM 0 H3 ALA A 1 -0.412 2.464 -2.785 1.00 21.31 H new ATOM 0 HA ALA A 1 0.346 0.522 -0.693 1.00 22.12 H new ATOM 0 HB1 ALA A 1 1.138 -0.753 -2.629 1.00 1.03 H new ATOM 0 HB2 ALA A 1 -0.601 -0.396 -2.758 1.00 1.03 H new ATOM 0 HB3 ALA A 1 0.572 0.535 -3.719 1.00 1.03 H new ATOM 11 N ASN A 2 2.094 2.541 -0.563 1.00 73.55 N ATOM 12 CA ASN A 2 3.370 3.208 -0.370 1.00 21.41 C ATOM 13 C ASN A 2 3.835 3.806 -1.699 1.00 40.33 C ATOM 14 O ASN A 2 4.420 3.110 -2.527 1.00 63.41 O ATOM 15 CB ASN A 2 4.440 2.222 0.105 1.00 45.53 C ATOM 16 CG ASN A 2 3.971 1.460 1.345 1.00 30.24 C ATOM 17 OD1 ASN A 2 3.391 2.014 2.264 1.00 11.55 O ATOM 18 ND2 ASN A 2 4.254 0.161 1.321 1.00 22.13 N ATOM 0 H ASN A 2 1.373 2.796 0.111 1.00 73.55 H new ATOM 0 HA ASN A 2 3.234 3.984 0.383 1.00 21.41 H new ATOM 0 HB2 ASN A 2 4.670 1.517 -0.694 1.00 45.53 H new ATOM 0 HB3 ASN A 2 5.361 2.760 0.331 1.00 45.53 H new ATOM 0 HD21 ASN A 2 3.983 -0.435 2.103 1.00 22.13 H new ATOM 0 HD22 ASN A 2 4.742 -0.240 0.520 1.00 22.13 H new ATOM 25 N GLU A 3 3.557 5.091 -1.863 1.00 12.23 N ATOM 26 CA GLU A 3 3.939 5.791 -3.076 1.00 44.44 C ATOM 27 C GLU A 3 5.372 5.426 -3.472 1.00 74.31 C ATOM 28 O GLU A 3 6.259 5.371 -2.622 1.00 41.22 O ATOM 29 CB GLU A 3 3.786 7.304 -2.909 1.00 43.41 C ATOM 30 CG GLU A 3 4.218 8.043 -4.178 1.00 72.13 C ATOM 31 CD GLU A 3 4.067 9.556 -4.009 1.00 42.41 C ATOM 32 OE1 GLU A 3 3.047 10.022 -3.482 1.00 53.50 O ATOM 33 OE2 GLU A 3 5.059 10.255 -4.448 1.00 1.34 O ATOM 0 H GLU A 3 3.071 5.666 -1.175 1.00 12.23 H new ATOM 0 HA GLU A 3 3.270 5.478 -3.877 1.00 44.44 H new ATOM 0 HB2 GLU A 3 2.748 7.545 -2.679 1.00 43.41 H new ATOM 0 HB3 GLU A 3 4.386 7.643 -2.065 1.00 43.41 H new ATOM 0 HG2 GLU A 3 5.255 7.801 -4.409 1.00 72.13 H new ATOM 0 HG3 GLU A 3 3.617 7.706 -5.022 1.00 72.13 H new ATOM 40 N GLY A 4 5.553 5.184 -4.762 1.00 60.22 N ATOM 41 CA GLY A 4 6.862 4.825 -5.280 1.00 14.25 C ATOM 42 C GLY A 4 7.066 3.309 -5.252 1.00 74.54 C ATOM 43 O GLY A 4 8.198 2.830 -5.290 1.00 72.11 O ATOM 0 H GLY A 4 4.814 5.230 -5.464 1.00 60.22 H new ATOM 0 HA2 GLY A 4 6.966 5.191 -6.302 1.00 14.25 H new ATOM 0 HA3 GLY A 4 7.637 5.311 -4.688 1.00 14.25 H new ATOM 47 N ASP A 5 5.951 2.596 -5.187 1.00 34.40 N ATOM 48 CA ASP A 5 5.993 1.143 -5.154 1.00 3.42 C ATOM 49 C ASP A 5 5.569 0.594 -6.517 1.00 60.14 C ATOM 50 O ASP A 5 4.748 1.198 -7.206 1.00 50.03 O ATOM 51 CB ASP A 5 5.031 0.589 -4.101 1.00 20.54 C ATOM 52 CG ASP A 5 5.591 0.535 -2.678 1.00 5.20 C ATOM 53 OD1 ASP A 5 6.357 1.521 -2.356 1.00 11.50 O ATOM 54 OD2 ASP A 5 5.309 -0.402 -1.916 1.00 43.21 O ATOM 0 H ASP A 5 5.013 2.997 -5.156 1.00 34.40 H new ATOM 0 HA ASP A 5 7.011 0.840 -4.908 1.00 3.42 H new ATOM 0 HB2 ASP A 5 4.129 1.201 -4.097 1.00 20.54 H new ATOM 0 HB3 ASP A 5 4.733 -0.417 -4.396 1.00 20.54 H new ATOM 59 N VAL A 6 6.149 -0.545 -6.866 1.00 74.24 N ATOM 60 CA VAL A 6 5.841 -1.183 -8.136 1.00 21.02 C ATOM 61 C VAL A 6 5.155 -2.525 -7.874 1.00 60.14 C ATOM 62 O VAL A 6 5.540 -3.256 -6.963 1.00 51.03 O ATOM 63 CB VAL A 6 7.113 -1.316 -8.976 1.00 40.50 C ATOM 64 CG1 VAL A 6 6.980 -2.448 -9.996 1.00 1.24 C ATOM 65 CG2 VAL A 6 7.454 0.007 -9.666 1.00 55.04 C ATOM 0 H VAL A 6 6.830 -1.043 -6.292 1.00 74.24 H new ATOM 0 HA VAL A 6 5.148 -0.571 -8.713 1.00 21.02 H new ATOM 0 HB VAL A 6 7.934 -1.565 -8.304 1.00 40.50 H new ATOM 0 HG11 VAL A 6 7.897 -2.521 -10.580 1.00 1.24 H new ATOM 0 HG12 VAL A 6 6.806 -3.389 -9.474 1.00 1.24 H new ATOM 0 HG13 VAL A 6 6.142 -2.241 -10.662 1.00 1.24 H new ATOM 0 HG21 VAL A 6 8.362 -0.114 -10.257 1.00 55.04 H new ATOM 0 HG22 VAL A 6 6.632 0.299 -10.320 1.00 55.04 H new ATOM 0 HG23 VAL A 6 7.611 0.780 -8.914 1.00 55.04 H new ATOM 75 N TYR A 7 4.150 -2.808 -8.690 1.00 22.25 N ATOM 76 CA TYR A 7 3.406 -4.050 -8.558 1.00 22.14 C ATOM 77 C TYR A 7 3.330 -4.788 -9.896 1.00 60.00 C ATOM 78 O TYR A 7 3.139 -4.168 -10.941 1.00 65.23 O ATOM 79 CB TYR A 7 1.993 -3.652 -8.128 1.00 3.44 C ATOM 80 CG TYR A 7 1.836 -3.451 -6.619 1.00 42.13 C ATOM 81 CD1 TYR A 7 2.512 -2.428 -5.985 1.00 71.04 C ATOM 82 CD2 TYR A 7 1.018 -4.292 -5.893 1.00 10.52 C ATOM 83 CE1 TYR A 7 2.362 -2.239 -4.566 1.00 45.10 C ATOM 84 CE2 TYR A 7 0.869 -4.102 -4.473 1.00 22.34 C ATOM 85 CZ TYR A 7 1.549 -3.086 -3.879 1.00 42.51 C ATOM 86 OH TYR A 7 1.409 -2.907 -2.538 1.00 52.42 O ATOM 0 H TYR A 7 3.833 -2.199 -9.445 1.00 22.25 H new ATOM 0 HA TYR A 7 3.890 -4.713 -7.841 1.00 22.14 H new ATOM 0 HB2 TYR A 7 1.715 -2.730 -8.638 1.00 3.44 H new ATOM 0 HB3 TYR A 7 1.294 -4.421 -8.457 1.00 3.44 H new ATOM 0 HD1 TYR A 7 3.153 -1.770 -6.553 1.00 71.04 H new ATOM 0 HD2 TYR A 7 0.490 -5.093 -6.389 1.00 10.52 H new ATOM 0 HE1 TYR A 7 2.884 -1.442 -4.058 1.00 45.10 H new ATOM 0 HE2 TYR A 7 0.231 -4.752 -3.893 1.00 22.34 H new ATOM 0 HH TYR A 7 0.798 -3.584 -2.180 1.00 52.42 H new ATOM 96 N LYS A 8 3.483 -6.102 -9.821 1.00 11.03 N ATOM 97 CA LYS A 8 3.434 -6.931 -11.013 1.00 35.33 C ATOM 98 C LYS A 8 2.292 -7.940 -10.880 1.00 31.21 C ATOM 99 O LYS A 8 1.912 -8.311 -9.771 1.00 33.43 O ATOM 100 CB LYS A 8 4.797 -7.576 -11.273 1.00 72.12 C ATOM 101 CG LYS A 8 4.711 -8.601 -12.406 1.00 62.41 C ATOM 102 CD LYS A 8 6.067 -9.269 -12.645 1.00 41.33 C ATOM 103 CE LYS A 8 5.973 -10.316 -13.756 1.00 61.11 C ATOM 104 NZ LYS A 8 7.149 -11.214 -13.723 1.00 45.11 N ATOM 0 H LYS A 8 3.641 -6.613 -8.953 1.00 11.03 H new ATOM 0 HA LYS A 8 3.222 -6.323 -11.892 1.00 35.33 H new ATOM 0 HB2 LYS A 8 5.525 -6.806 -11.529 1.00 72.12 H new ATOM 0 HB3 LYS A 8 5.153 -8.062 -10.364 1.00 72.12 H new ATOM 0 HG2 LYS A 8 3.967 -9.358 -12.160 1.00 62.41 H new ATOM 0 HG3 LYS A 8 4.377 -8.111 -13.320 1.00 62.41 H new ATOM 0 HD2 LYS A 8 6.806 -8.514 -12.913 1.00 41.33 H new ATOM 0 HD3 LYS A 8 6.412 -9.740 -11.725 1.00 41.33 H new ATOM 0 HE2 LYS A 8 5.060 -10.899 -13.638 1.00 61.11 H new ATOM 0 HE3 LYS A 8 5.913 -9.822 -14.726 1.00 61.11 H new ATOM 0 HZ1 LYS A 8 7.069 -11.919 -14.484 1.00 45.11 H new ATOM 0 HZ2 LYS A 8 8.016 -10.656 -13.858 1.00 45.11 H new ATOM 0 HZ3 LYS A 8 7.189 -11.700 -12.804 1.00 45.11 H new ATOM 117 N CYS A 9 1.776 -8.357 -12.028 1.00 4.30 N ATOM 118 CA CYS A 9 0.685 -9.315 -12.054 1.00 21.31 C ATOM 119 C CYS A 9 1.282 -10.720 -12.158 1.00 21.45 C ATOM 120 O CYS A 9 2.104 -10.986 -13.034 1.00 23.12 O ATOM 121 CB CYS A 9 -0.295 -9.026 -13.193 1.00 34.05 C ATOM 122 SG CYS A 9 -1.786 -10.092 -13.212 1.00 2.41 S ATOM 0 H CYS A 9 2.094 -8.048 -12.947 1.00 4.30 H new ATOM 0 HA CYS A 9 0.105 -9.234 -11.135 1.00 21.31 H new ATOM 0 HB2 CYS A 9 -0.611 -7.985 -13.127 1.00 34.05 H new ATOM 0 HB3 CYS A 9 0.229 -9.141 -14.142 1.00 34.05 H new ATOM 127 N GLU A 10 0.846 -11.583 -11.251 1.00 62.34 N ATOM 128 CA GLU A 10 1.328 -12.954 -11.231 1.00 12.14 C ATOM 129 C GLU A 10 0.505 -13.820 -12.186 1.00 55.10 C ATOM 130 O GLU A 10 0.260 -14.994 -11.911 1.00 3.53 O ATOM 131 CB GLU A 10 1.299 -13.523 -9.810 1.00 53.23 C ATOM 132 CG GLU A 10 2.458 -12.976 -8.976 1.00 13.41 C ATOM 133 CD GLU A 10 3.804 -13.309 -9.621 1.00 51.14 C ATOM 134 OE1 GLU A 10 4.227 -12.444 -10.479 1.00 50.21 O ATOM 135 OE2 GLU A 10 4.401 -14.350 -9.307 1.00 4.15 O ATOM 0 H GLU A 10 0.165 -11.359 -10.525 1.00 62.34 H new ATOM 0 HA GLU A 10 2.364 -12.960 -11.569 1.00 12.14 H new ATOM 0 HB2 GLU A 10 0.352 -13.270 -9.333 1.00 53.23 H new ATOM 0 HB3 GLU A 10 1.356 -14.611 -9.849 1.00 53.23 H new ATOM 0 HG2 GLU A 10 2.358 -11.896 -8.873 1.00 13.41 H new ATOM 0 HG3 GLU A 10 2.418 -13.397 -7.971 1.00 13.41 H new ATOM 142 N LEU A 11 0.100 -13.207 -13.289 1.00 64.52 N ATOM 143 CA LEU A 11 -0.690 -13.909 -14.287 1.00 31.12 C ATOM 144 C LEU A 11 -0.215 -13.504 -15.684 1.00 15.51 C ATOM 145 O LEU A 11 0.450 -14.281 -16.367 1.00 61.10 O ATOM 146 CB LEU A 11 -2.183 -13.671 -14.051 1.00 40.15 C ATOM 147 CG LEU A 11 -2.809 -14.438 -12.886 1.00 32.34 C ATOM 148 CD1 LEU A 11 -4.253 -13.992 -12.647 1.00 21.10 C ATOM 149 CD2 LEU A 11 -2.705 -15.950 -13.105 1.00 2.41 C ATOM 0 H LEU A 11 0.304 -12.233 -13.513 1.00 64.52 H new ATOM 0 HA LEU A 11 -0.545 -14.986 -14.201 1.00 31.12 H new ATOM 0 HB2 LEU A 11 -2.339 -12.605 -13.883 1.00 40.15 H new ATOM 0 HB3 LEU A 11 -2.721 -13.932 -14.962 1.00 40.15 H new ATOM 0 HG LEU A 11 -2.246 -14.204 -11.982 1.00 32.34 H new ATOM 0 HD11 LEU A 11 -4.674 -14.554 -11.813 1.00 21.10 H new ATOM 0 HD12 LEU A 11 -4.271 -12.927 -12.414 1.00 21.10 H new ATOM 0 HD13 LEU A 11 -4.844 -14.177 -13.544 1.00 21.10 H new ATOM 0 HD21 LEU A 11 -3.158 -16.472 -12.262 1.00 2.41 H new ATOM 0 HD22 LEU A 11 -3.227 -16.222 -14.022 1.00 2.41 H new ATOM 0 HD23 LEU A 11 -1.656 -16.234 -13.187 1.00 2.41 H new ATOM 161 N CYS A 12 -0.575 -12.288 -16.067 1.00 14.24 N ATOM 162 CA CYS A 12 -0.195 -11.770 -17.369 1.00 61.25 C ATOM 163 C CYS A 12 1.290 -11.404 -17.327 1.00 1.44 C ATOM 164 O CYS A 12 2.045 -11.747 -18.235 1.00 11.14 O ATOM 165 CB CYS A 12 -1.064 -10.580 -17.782 1.00 75.43 C ATOM 166 SG CYS A 12 -1.152 -9.231 -16.550 1.00 13.33 S ATOM 0 H CYS A 12 -1.126 -11.646 -15.497 1.00 14.24 H new ATOM 0 HA CYS A 12 -0.358 -12.535 -18.128 1.00 61.25 H new ATOM 0 HB2 CYS A 12 -0.679 -10.174 -18.718 1.00 75.43 H new ATOM 0 HB3 CYS A 12 -2.074 -10.938 -17.981 1.00 75.43 H new ATOM 171 N GLY A 13 1.664 -10.711 -16.261 1.00 25.20 N ATOM 172 CA GLY A 13 3.046 -10.295 -16.087 1.00 31.13 C ATOM 173 C GLY A 13 3.207 -8.799 -16.367 1.00 12.22 C ATOM 174 O GLY A 13 4.244 -8.366 -16.865 1.00 41.21 O ATOM 0 H GLY A 13 1.035 -10.427 -15.510 1.00 25.20 H new ATOM 0 HA2 GLY A 13 3.371 -10.515 -15.070 1.00 31.13 H new ATOM 0 HA3 GLY A 13 3.689 -10.866 -16.758 1.00 31.13 H new ATOM 178 N GLN A 14 2.165 -8.052 -16.034 1.00 1.14 N ATOM 179 CA GLN A 14 2.177 -6.614 -16.243 1.00 1.33 C ATOM 180 C GLN A 14 2.823 -5.909 -15.048 1.00 31.43 C ATOM 181 O GLN A 14 2.604 -6.297 -13.902 1.00 0.34 O ATOM 182 CB GLN A 14 0.765 -6.083 -16.494 1.00 33.24 C ATOM 183 CG GLN A 14 0.805 -4.671 -17.079 1.00 53.43 C ATOM 184 CD GLN A 14 -0.353 -3.824 -16.547 1.00 4.41 C ATOM 185 OE1 GLN A 14 -0.245 -2.622 -16.367 1.00 42.25 O ATOM 186 NE2 GLN A 14 -1.463 -4.515 -16.304 1.00 42.03 N ATOM 0 H GLN A 14 1.306 -8.416 -15.621 1.00 1.14 H new ATOM 0 HA GLN A 14 2.772 -6.402 -17.131 1.00 1.33 H new ATOM 0 HB2 GLN A 14 0.239 -6.749 -17.178 1.00 33.24 H new ATOM 0 HB3 GLN A 14 0.204 -6.077 -15.560 1.00 33.24 H new ATOM 0 HG2 GLN A 14 1.753 -4.196 -16.827 1.00 53.43 H new ATOM 0 HG3 GLN A 14 0.753 -4.722 -18.167 1.00 53.43 H new ATOM 0 HE21 GLN A 14 -1.486 -5.520 -16.477 1.00 42.03 H new ATOM 0 HE22 GLN A 14 -2.291 -4.040 -15.945 1.00 42.03 H new ATOM 195 N VAL A 15 3.606 -4.886 -15.357 1.00 62.43 N ATOM 196 CA VAL A 15 4.285 -4.124 -14.323 1.00 45.10 C ATOM 197 C VAL A 15 3.735 -2.697 -14.304 1.00 11.44 C ATOM 198 O VAL A 15 3.701 -2.027 -15.334 1.00 42.52 O ATOM 199 CB VAL A 15 5.799 -4.178 -14.541 1.00 71.23 C ATOM 200 CG1 VAL A 15 6.531 -3.303 -13.523 1.00 22.42 C ATOM 201 CG2 VAL A 15 6.308 -5.620 -14.492 1.00 65.15 C ATOM 0 H VAL A 15 3.785 -4.567 -16.309 1.00 62.43 H new ATOM 0 HA VAL A 15 4.096 -4.559 -13.342 1.00 45.10 H new ATOM 0 HB VAL A 15 6.009 -3.782 -15.535 1.00 71.23 H new ATOM 0 HG11 VAL A 15 7.605 -3.359 -13.700 1.00 22.42 H new ATOM 0 HG12 VAL A 15 6.200 -2.270 -13.627 1.00 22.42 H new ATOM 0 HG13 VAL A 15 6.311 -3.655 -12.515 1.00 22.42 H new ATOM 0 HG21 VAL A 15 7.386 -5.631 -14.650 1.00 65.15 H new ATOM 0 HG22 VAL A 15 6.079 -6.054 -13.519 1.00 65.15 H new ATOM 0 HG23 VAL A 15 5.821 -6.204 -15.273 1.00 65.15 H new ATOM 211 N VAL A 16 3.319 -2.274 -13.119 1.00 52.25 N ATOM 212 CA VAL A 16 2.771 -0.938 -12.952 1.00 25.55 C ATOM 213 C VAL A 16 3.356 -0.307 -11.686 1.00 43.51 C ATOM 214 O VAL A 16 3.930 -1.003 -10.849 1.00 41.05 O ATOM 215 CB VAL A 16 1.243 -0.997 -12.939 1.00 11.42 C ATOM 216 CG1 VAL A 16 0.694 -1.304 -14.334 1.00 31.21 C ATOM 217 CG2 VAL A 16 0.741 -2.016 -11.915 1.00 22.24 C ATOM 0 H VAL A 16 3.350 -2.832 -12.266 1.00 52.25 H new ATOM 0 HA VAL A 16 3.051 -0.302 -13.792 1.00 25.55 H new ATOM 0 HB VAL A 16 0.873 -0.016 -12.642 1.00 11.42 H new ATOM 0 HG11 VAL A 16 -0.395 -1.340 -14.297 1.00 31.21 H new ATOM 0 HG12 VAL A 16 1.007 -0.524 -15.028 1.00 31.21 H new ATOM 0 HG13 VAL A 16 1.078 -2.266 -14.672 1.00 31.21 H new ATOM 0 HG21 VAL A 16 -0.349 -2.037 -11.927 1.00 22.24 H new ATOM 0 HG22 VAL A 16 1.126 -3.004 -12.166 1.00 22.24 H new ATOM 0 HG23 VAL A 16 1.087 -1.734 -10.921 1.00 22.24 H new ATOM 227 N LYS A 17 3.190 1.004 -11.587 1.00 24.44 N ATOM 228 CA LYS A 17 3.694 1.736 -10.438 1.00 24.14 C ATOM 229 C LYS A 17 2.522 2.375 -9.691 1.00 3.33 C ATOM 230 O LYS A 17 1.436 2.530 -10.249 1.00 2.12 O ATOM 231 CB LYS A 17 4.768 2.738 -10.869 1.00 24.42 C ATOM 232 CG LYS A 17 5.734 3.035 -9.721 1.00 3.22 C ATOM 233 CD LYS A 17 5.871 4.543 -9.496 1.00 20.31 C ATOM 234 CE LYS A 17 4.897 5.027 -8.421 1.00 55.42 C ATOM 235 NZ LYS A 17 5.457 6.194 -7.702 1.00 35.14 N ATOM 0 H LYS A 17 2.714 1.577 -12.283 1.00 24.44 H new ATOM 0 HA LYS A 17 4.185 1.057 -9.741 1.00 24.14 H new ATOM 0 HB2 LYS A 17 5.321 2.340 -11.720 1.00 24.42 H new ATOM 0 HB3 LYS A 17 4.296 3.663 -11.200 1.00 24.42 H new ATOM 0 HG2 LYS A 17 5.377 2.558 -8.808 1.00 3.22 H new ATOM 0 HG3 LYS A 17 6.711 2.607 -9.943 1.00 3.22 H new ATOM 0 HD2 LYS A 17 6.893 4.779 -9.199 1.00 20.31 H new ATOM 0 HD3 LYS A 17 5.680 5.072 -10.430 1.00 20.31 H new ATOM 0 HE2 LYS A 17 3.945 5.297 -8.879 1.00 55.42 H new ATOM 0 HE3 LYS A 17 4.694 4.221 -7.716 1.00 55.42 H new ATOM 0 HZ1 LYS A 17 5.023 6.262 -6.759 1.00 35.14 H new ATOM 0 HZ2 LYS A 17 6.486 6.079 -7.602 1.00 35.14 H new ATOM 0 HZ3 LYS A 17 5.256 7.062 -8.239 1.00 35.14 H new ATOM 248 N VAL A 18 2.781 2.730 -8.441 1.00 12.11 N ATOM 249 CA VAL A 18 1.760 3.349 -7.612 1.00 71.20 C ATOM 250 C VAL A 18 2.076 4.837 -7.448 1.00 54.14 C ATOM 251 O VAL A 18 2.749 5.232 -6.498 1.00 64.21 O ATOM 252 CB VAL A 18 1.652 2.611 -6.276 1.00 61.03 C ATOM 253 CG1 VAL A 18 0.761 3.377 -5.297 1.00 51.43 C ATOM 254 CG2 VAL A 18 1.142 1.182 -6.479 1.00 12.31 C ATOM 0 H VAL A 18 3.683 2.601 -7.982 1.00 12.11 H new ATOM 0 HA VAL A 18 0.783 3.274 -8.090 1.00 71.20 H new ATOM 0 HB VAL A 18 2.651 2.552 -5.844 1.00 61.03 H new ATOM 0 HG11 VAL A 18 0.701 2.831 -4.356 1.00 51.43 H new ATOM 0 HG12 VAL A 18 1.184 4.365 -5.117 1.00 51.43 H new ATOM 0 HG13 VAL A 18 -0.238 3.482 -5.720 1.00 51.43 H new ATOM 0 HG21 VAL A 18 1.074 0.679 -5.514 1.00 12.31 H new ATOM 0 HG22 VAL A 18 0.156 1.210 -6.943 1.00 12.31 H new ATOM 0 HG23 VAL A 18 1.832 0.638 -7.124 1.00 12.31 H new ATOM 264 N LEU A 19 1.574 5.624 -8.390 1.00 20.51 N ATOM 265 CA LEU A 19 1.793 7.059 -8.363 1.00 23.24 C ATOM 266 C LEU A 19 1.024 7.666 -7.188 1.00 14.11 C ATOM 267 O LEU A 19 1.530 8.550 -6.499 1.00 54.23 O ATOM 268 CB LEU A 19 1.442 7.681 -9.716 1.00 5.51 C ATOM 269 CG LEU A 19 2.115 9.018 -10.034 1.00 13.52 C ATOM 270 CD1 LEU A 19 3.504 8.803 -10.637 1.00 51.34 C ATOM 271 CD2 LEU A 19 1.226 9.879 -10.933 1.00 60.24 C ATOM 0 H LEU A 19 1.016 5.293 -9.177 1.00 20.51 H new ATOM 0 HA LEU A 19 2.848 7.280 -8.202 1.00 23.24 H new ATOM 0 HB2 LEU A 19 1.704 6.970 -10.499 1.00 5.51 H new ATOM 0 HB3 LEU A 19 0.362 7.821 -9.760 1.00 5.51 H new ATOM 0 HG LEU A 19 2.251 9.563 -9.100 1.00 13.52 H new ATOM 0 HD11 LEU A 19 3.960 9.769 -10.854 1.00 51.34 H new ATOM 0 HD12 LEU A 19 4.128 8.258 -9.929 1.00 51.34 H new ATOM 0 HD13 LEU A 19 3.415 8.229 -11.559 1.00 51.34 H new ATOM 0 HD21 LEU A 19 1.728 10.823 -11.144 1.00 60.24 H new ATOM 0 HD22 LEU A 19 1.036 9.353 -11.868 1.00 60.24 H new ATOM 0 HD23 LEU A 19 0.280 10.075 -10.428 1.00 60.24 H new ATOM 283 N GLU A 20 -0.189 7.166 -6.996 1.00 10.45 N ATOM 284 CA GLU A 20 -1.034 7.648 -5.916 1.00 40.32 C ATOM 285 C GLU A 20 -1.872 6.502 -5.346 1.00 45.10 C ATOM 286 O GLU A 20 -2.752 5.975 -6.024 1.00 54.44 O ATOM 287 CB GLU A 20 -1.927 8.797 -6.390 1.00 51.04 C ATOM 288 CG GLU A 20 -1.197 10.138 -6.287 1.00 61.34 C ATOM 289 CD GLU A 20 -1.626 11.084 -7.409 1.00 54.34 C ATOM 290 OE1 GLU A 20 -2.831 11.243 -7.660 1.00 2.03 O ATOM 291 OE2 GLU A 20 -0.659 11.667 -8.032 1.00 42.51 O ATOM 0 H GLU A 20 -0.606 6.433 -7.570 1.00 10.45 H new ATOM 0 HA GLU A 20 -0.393 8.033 -5.123 1.00 40.32 H new ATOM 0 HB2 GLU A 20 -2.232 8.623 -7.422 1.00 51.04 H new ATOM 0 HB3 GLU A 20 -2.836 8.827 -5.790 1.00 51.04 H new ATOM 0 HG2 GLU A 20 -1.406 10.596 -5.320 1.00 61.34 H new ATOM 0 HG3 GLU A 20 -0.120 9.975 -6.336 1.00 61.34 H new ATOM 298 N GLU A 21 -1.568 6.151 -4.105 1.00 65.31 N ATOM 299 CA GLU A 21 -2.281 5.077 -3.436 1.00 33.23 C ATOM 300 C GLU A 21 -3.717 5.506 -3.124 1.00 40.24 C ATOM 301 O GLU A 21 -3.972 6.677 -2.847 1.00 23.04 O ATOM 302 CB GLU A 21 -1.552 4.642 -2.164 1.00 1.41 C ATOM 303 CG GLU A 21 -1.521 5.775 -1.135 1.00 44.32 C ATOM 304 CD GLU A 21 -1.444 5.221 0.289 1.00 1.53 C ATOM 305 OE1 GLU A 21 -2.579 4.893 0.808 1.00 45.10 O ATOM 306 OE2 GLU A 21 -0.346 5.117 0.856 1.00 53.52 O ATOM 0 H GLU A 21 -0.838 6.592 -3.546 1.00 65.31 H new ATOM 0 HA GLU A 21 -2.316 4.219 -4.107 1.00 33.23 H new ATOM 0 HB2 GLU A 21 -2.048 3.771 -1.736 1.00 1.41 H new ATOM 0 HB3 GLU A 21 -0.534 4.341 -2.409 1.00 1.41 H new ATOM 0 HG2 GLU A 21 -0.663 6.420 -1.325 1.00 44.32 H new ATOM 0 HG3 GLU A 21 -2.413 6.392 -1.241 1.00 44.32 H new ATOM 313 N GLY A 22 -4.617 4.536 -3.183 1.00 12.31 N ATOM 314 CA GLY A 22 -6.020 4.800 -2.910 1.00 74.42 C ATOM 315 C GLY A 22 -6.588 3.777 -1.924 1.00 52.53 C ATOM 316 O GLY A 22 -5.844 2.988 -1.345 1.00 24.02 O ATOM 0 H GLY A 22 -4.403 3.566 -3.416 1.00 12.31 H new ATOM 0 HA2 GLY A 22 -6.132 5.805 -2.502 1.00 74.42 H new ATOM 0 HA3 GLY A 22 -6.588 4.768 -3.840 1.00 74.42 H new ATOM 320 N GLY A 23 -7.902 3.826 -1.763 1.00 35.40 N ATOM 321 CA GLY A 23 -8.580 2.914 -0.857 1.00 24.51 C ATOM 322 C GLY A 23 -9.041 1.653 -1.590 1.00 63.44 C ATOM 323 O GLY A 23 -10.208 1.276 -1.510 1.00 31.23 O ATOM 0 H GLY A 23 -8.516 4.483 -2.245 1.00 35.40 H new ATOM 0 HA2 GLY A 23 -7.910 2.640 -0.042 1.00 24.51 H new ATOM 0 HA3 GLY A 23 -9.439 3.413 -0.409 1.00 24.51 H new ATOM 327 N GLY A 24 -8.099 1.035 -2.289 1.00 13.43 N ATOM 328 CA GLY A 24 -8.394 -0.175 -3.037 1.00 11.42 C ATOM 329 C GLY A 24 -7.107 -0.852 -3.513 1.00 74.02 C ATOM 330 O GLY A 24 -6.096 -0.187 -3.731 1.00 33.22 O ATOM 0 H GLY A 24 -7.131 1.350 -2.353 1.00 13.43 H new ATOM 0 HA2 GLY A 24 -8.962 -0.864 -2.412 1.00 11.42 H new ATOM 0 HA3 GLY A 24 -9.021 0.067 -3.895 1.00 11.42 H new ATOM 334 N THR A 25 -7.189 -2.166 -3.661 1.00 22.44 N ATOM 335 CA THR A 25 -6.044 -2.941 -4.107 1.00 65.25 C ATOM 336 C THR A 25 -6.058 -3.084 -5.631 1.00 1.21 C ATOM 337 O THR A 25 -7.124 -3.159 -6.241 1.00 1.34 O ATOM 338 CB THR A 25 -6.063 -4.282 -3.371 1.00 54.41 C ATOM 339 OG1 THR A 25 -4.793 -4.858 -3.665 1.00 75.12 O ATOM 340 CG2 THR A 25 -7.067 -5.266 -3.974 1.00 14.24 C ATOM 0 H THR A 25 -8.030 -2.713 -3.480 1.00 22.44 H new ATOM 0 HA THR A 25 -5.108 -2.436 -3.867 1.00 65.25 H new ATOM 0 HB THR A 25 -6.303 -4.116 -2.321 1.00 54.41 H new ATOM 0 HG1 THR A 25 -4.720 -5.731 -3.225 1.00 75.12 H new ATOM 0 HG21 THR A 25 -7.041 -6.201 -3.415 1.00 14.24 H new ATOM 0 HG22 THR A 25 -8.069 -4.841 -3.922 1.00 14.24 H new ATOM 0 HG23 THR A 25 -6.808 -5.458 -5.015 1.00 14.24 H new ATOM 348 N LEU A 26 -4.863 -3.118 -6.201 1.00 72.55 N ATOM 349 CA LEU A 26 -4.724 -3.252 -7.642 1.00 53.42 C ATOM 350 C LEU A 26 -4.959 -4.710 -8.040 1.00 30.42 C ATOM 351 O LEU A 26 -4.183 -5.590 -7.671 1.00 32.14 O ATOM 352 CB LEU A 26 -3.376 -2.697 -8.105 1.00 2.15 C ATOM 353 CG LEU A 26 -2.920 -1.399 -7.435 1.00 2.33 C ATOM 354 CD1 LEU A 26 -1.441 -1.124 -7.722 1.00 33.54 C ATOM 355 CD2 LEU A 26 -3.811 -0.225 -7.848 1.00 72.40 C ATOM 0 H LEU A 26 -3.982 -3.055 -5.692 1.00 72.55 H new ATOM 0 HA LEU A 26 -5.480 -2.656 -8.154 1.00 53.42 H new ATOM 0 HB2 LEU A 26 -2.614 -3.458 -7.935 1.00 2.15 H new ATOM 0 HB3 LEU A 26 -3.424 -2.530 -9.181 1.00 2.15 H new ATOM 0 HG LEU A 26 -3.023 -1.518 -6.356 1.00 2.33 H new ATOM 0 HD11 LEU A 26 -1.142 -0.196 -7.235 1.00 33.54 H new ATOM 0 HD12 LEU A 26 -0.837 -1.946 -7.338 1.00 33.54 H new ATOM 0 HD13 LEU A 26 -1.290 -1.034 -8.798 1.00 33.54 H new ATOM 0 HD21 LEU A 26 -3.465 0.685 -7.358 1.00 72.40 H new ATOM 0 HD22 LEU A 26 -3.764 -0.095 -8.929 1.00 72.40 H new ATOM 0 HD23 LEU A 26 -4.840 -0.428 -7.552 1.00 72.40 H new ATOM 367 N VAL A 27 -6.032 -4.921 -8.789 1.00 22.43 N ATOM 368 CA VAL A 27 -6.377 -6.258 -9.241 1.00 33.11 C ATOM 369 C VAL A 27 -6.091 -6.374 -10.739 1.00 74.54 C ATOM 370 O VAL A 27 -6.228 -5.401 -11.478 1.00 71.35 O ATOM 371 CB VAL A 27 -7.831 -6.572 -8.883 1.00 62.10 C ATOM 372 CG1 VAL A 27 -8.328 -7.805 -9.640 1.00 73.32 C ATOM 373 CG2 VAL A 27 -7.999 -6.751 -7.373 1.00 4.00 C ATOM 0 H VAL A 27 -6.673 -4.189 -9.094 1.00 22.43 H new ATOM 0 HA VAL A 27 -5.764 -7.003 -8.735 1.00 33.11 H new ATOM 0 HB VAL A 27 -8.441 -5.722 -9.189 1.00 62.10 H new ATOM 0 HG11 VAL A 27 -9.364 -8.006 -9.367 1.00 73.32 H new ATOM 0 HG12 VAL A 27 -8.264 -7.624 -10.713 1.00 73.32 H new ATOM 0 HG13 VAL A 27 -7.711 -8.665 -9.380 1.00 73.32 H new ATOM 0 HG21 VAL A 27 -9.042 -6.973 -7.147 1.00 4.00 H new ATOM 0 HG22 VAL A 27 -7.370 -7.574 -7.032 1.00 4.00 H new ATOM 0 HG23 VAL A 27 -7.705 -5.834 -6.863 1.00 4.00 H new ATOM 383 N CYS A 28 -5.700 -7.574 -11.143 1.00 63.43 N ATOM 384 CA CYS A 28 -5.394 -7.831 -12.539 1.00 42.05 C ATOM 385 C CYS A 28 -5.547 -9.332 -12.797 1.00 50.43 C ATOM 386 O CYS A 28 -4.955 -10.149 -12.095 1.00 24.15 O ATOM 387 CB CYS A 28 -3.999 -7.327 -12.915 1.00 3.13 C ATOM 388 SG CYS A 28 -3.644 -7.316 -14.711 1.00 30.53 S ATOM 0 H CYS A 28 -5.588 -8.379 -10.527 1.00 63.43 H new ATOM 0 HA CYS A 28 -6.090 -7.282 -13.173 1.00 42.05 H new ATOM 0 HB2 CYS A 28 -3.878 -6.315 -12.529 1.00 3.13 H new ATOM 0 HB3 CYS A 28 -3.256 -7.950 -12.416 1.00 3.13 H new ATOM 393 N CYS A 29 -6.344 -9.649 -13.807 1.00 50.43 N ATOM 394 CA CYS A 29 -6.582 -11.036 -14.166 1.00 11.44 C ATOM 395 C CYS A 29 -7.209 -11.743 -12.963 1.00 24.22 C ATOM 396 O CYS A 29 -6.833 -12.867 -12.634 1.00 44.41 O ATOM 397 CB CYS A 29 -5.298 -11.728 -14.631 1.00 33.33 C ATOM 398 SG CYS A 29 -4.439 -10.900 -16.018 1.00 25.14 S ATOM 0 H CYS A 29 -6.833 -8.968 -14.388 1.00 50.43 H new ATOM 0 HA CYS A 29 -7.268 -11.083 -15.011 1.00 11.44 H new ATOM 0 HB2 CYS A 29 -4.612 -11.796 -13.786 1.00 33.33 H new ATOM 0 HB3 CYS A 29 -5.539 -12.748 -14.929 1.00 33.33 H new ATOM 403 N GLY A 30 -8.153 -11.054 -12.338 1.00 63.31 N ATOM 404 CA GLY A 30 -8.834 -11.603 -11.178 1.00 15.11 C ATOM 405 C GLY A 30 -7.836 -11.989 -10.087 1.00 5.35 C ATOM 406 O GLY A 30 -8.118 -12.855 -9.260 1.00 21.22 O ATOM 0 H GLY A 30 -8.462 -10.122 -12.613 1.00 63.31 H new ATOM 0 HA2 GLY A 30 -9.540 -10.871 -10.787 1.00 15.11 H new ATOM 0 HA3 GLY A 30 -9.413 -12.479 -11.472 1.00 15.11 H new ATOM 410 N GLU A 31 -6.687 -11.328 -10.118 1.00 40.42 N ATOM 411 CA GLU A 31 -5.644 -11.591 -9.141 1.00 73.52 C ATOM 412 C GLU A 31 -5.200 -10.288 -8.475 1.00 61.20 C ATOM 413 O GLU A 31 -5.310 -9.215 -9.066 1.00 34.21 O ATOM 414 CB GLU A 31 -4.457 -12.309 -9.787 1.00 73.51 C ATOM 415 CG GLU A 31 -3.289 -12.426 -8.807 1.00 63.34 C ATOM 416 CD GLU A 31 -2.081 -13.090 -9.472 1.00 22.55 C ATOM 417 OE1 GLU A 31 -1.627 -12.633 -10.530 1.00 43.20 O ATOM 418 OE2 GLU A 31 -1.612 -14.118 -8.847 1.00 11.01 O ATOM 0 H GLU A 31 -6.456 -10.610 -10.805 1.00 40.42 H new ATOM 0 HA GLU A 31 -6.050 -12.249 -8.372 1.00 73.52 H new ATOM 0 HB2 GLU A 31 -4.763 -13.303 -10.115 1.00 73.51 H new ATOM 0 HB3 GLU A 31 -4.138 -11.765 -10.676 1.00 73.51 H new ATOM 0 HG2 GLU A 31 -3.011 -11.436 -8.446 1.00 63.34 H new ATOM 0 HG3 GLU A 31 -3.596 -13.008 -7.938 1.00 63.34 H new ATOM 425 N ASP A 32 -4.706 -10.424 -7.253 1.00 14.42 N ATOM 426 CA ASP A 32 -4.245 -9.270 -6.500 1.00 21.22 C ATOM 427 C ASP A 32 -2.780 -8.995 -6.844 1.00 3.32 C ATOM 428 O ASP A 32 -1.884 -9.683 -6.358 1.00 21.53 O ATOM 429 CB ASP A 32 -4.337 -9.523 -4.993 1.00 63.54 C ATOM 430 CG ASP A 32 -3.957 -10.938 -4.551 1.00 15.22 C ATOM 431 OD1 ASP A 32 -4.809 -11.838 -4.494 1.00 30.40 O ATOM 432 OD2 ASP A 32 -2.713 -11.101 -4.253 1.00 53.01 O ATOM 0 H ASP A 32 -4.615 -11.316 -6.766 1.00 14.42 H new ATOM 0 HA ASP A 32 -4.877 -8.421 -6.763 1.00 21.22 H new ATOM 0 HB2 ASP A 32 -3.689 -8.812 -4.480 1.00 63.54 H new ATOM 0 HB3 ASP A 32 -5.357 -9.318 -4.667 1.00 63.54 H new ATOM 437 N MET A 33 -2.581 -7.986 -7.680 1.00 62.34 N ATOM 438 CA MET A 33 -1.240 -7.611 -8.096 1.00 71.31 C ATOM 439 C MET A 33 -0.270 -7.646 -6.912 1.00 60.04 C ATOM 440 O MET A 33 -0.563 -7.100 -5.850 1.00 23.53 O ATOM 441 CB MET A 33 -1.265 -6.204 -8.695 1.00 71.33 C ATOM 442 CG MET A 33 -1.340 -6.260 -10.222 1.00 41.44 C ATOM 443 SD MET A 33 -0.442 -4.888 -10.927 1.00 45.04 S ATOM 444 CE MET A 33 -1.704 -3.628 -10.869 1.00 32.23 C ATOM 0 H MET A 33 -3.326 -7.417 -8.081 1.00 62.34 H new ATOM 0 HA MET A 33 -0.898 -8.326 -8.844 1.00 71.31 H new ATOM 0 HB2 MET A 33 -2.121 -5.654 -8.305 1.00 71.33 H new ATOM 0 HB3 MET A 33 -0.371 -5.659 -8.391 1.00 71.33 H new ATOM 0 HG2 MET A 33 -0.923 -7.201 -10.581 1.00 41.44 H new ATOM 0 HG3 MET A 33 -2.381 -6.229 -10.545 1.00 41.44 H new ATOM 0 HE1 MET A 33 -1.884 -3.247 -11.874 1.00 32.23 H new ATOM 0 HE2 MET A 33 -2.625 -4.054 -10.472 1.00 32.23 H new ATOM 0 HE3 MET A 33 -1.375 -2.812 -10.225 1.00 32.23 H new ATOM 454 N VAL A 34 0.865 -8.292 -7.137 1.00 52.14 N ATOM 455 CA VAL A 34 1.880 -8.404 -6.104 1.00 13.25 C ATOM 456 C VAL A 34 2.815 -7.195 -6.180 1.00 31.20 C ATOM 457 O VAL A 34 2.837 -6.485 -7.183 1.00 53.54 O ATOM 458 CB VAL A 34 2.615 -9.739 -6.234 1.00 12.10 C ATOM 459 CG1 VAL A 34 3.432 -10.041 -4.976 1.00 42.04 C ATOM 460 CG2 VAL A 34 1.638 -10.876 -6.539 1.00 52.24 C ATOM 0 H VAL A 34 1.104 -8.743 -8.020 1.00 52.14 H new ATOM 0 HA VAL A 34 1.421 -8.397 -5.115 1.00 13.25 H new ATOM 0 HB VAL A 34 3.308 -9.659 -7.072 1.00 12.10 H new ATOM 0 HG11 VAL A 34 3.944 -10.996 -5.095 1.00 42.04 H new ATOM 0 HG12 VAL A 34 4.167 -9.251 -4.821 1.00 42.04 H new ATOM 0 HG13 VAL A 34 2.767 -10.091 -4.114 1.00 42.04 H new ATOM 0 HG21 VAL A 34 2.187 -11.814 -6.626 1.00 52.24 H new ATOM 0 HG22 VAL A 34 0.909 -10.956 -5.732 1.00 52.24 H new ATOM 0 HG23 VAL A 34 1.121 -10.670 -7.476 1.00 52.24 H new ATOM 470 N LYS A 35 3.567 -7.000 -5.107 1.00 33.23 N ATOM 471 CA LYS A 35 4.503 -5.890 -5.039 1.00 35.21 C ATOM 472 C LYS A 35 5.930 -6.426 -5.155 1.00 1.24 C ATOM 473 O LYS A 35 6.313 -7.346 -4.434 1.00 23.25 O ATOM 474 CB LYS A 35 4.257 -5.059 -3.778 1.00 62.12 C ATOM 475 CG LYS A 35 5.135 -3.805 -3.770 1.00 30.22 C ATOM 476 CD LYS A 35 6.492 -4.092 -3.122 1.00 44.32 C ATOM 477 CE LYS A 35 7.568 -3.149 -3.665 1.00 50.13 C ATOM 478 NZ LYS A 35 8.643 -2.959 -2.666 1.00 55.34 N ATOM 0 H LYS A 35 3.547 -7.592 -4.277 1.00 33.23 H new ATOM 0 HA LYS A 35 4.349 -5.209 -5.876 1.00 35.21 H new ATOM 0 HB2 LYS A 35 3.207 -4.773 -3.726 1.00 62.12 H new ATOM 0 HB3 LYS A 35 4.468 -5.661 -2.894 1.00 62.12 H new ATOM 0 HG2 LYS A 35 5.282 -3.453 -4.791 1.00 30.22 H new ATOM 0 HG3 LYS A 35 4.630 -3.006 -3.227 1.00 30.22 H new ATOM 0 HD2 LYS A 35 6.415 -3.977 -2.041 1.00 44.32 H new ATOM 0 HD3 LYS A 35 6.779 -5.126 -3.313 1.00 44.32 H new ATOM 0 HE2 LYS A 35 7.987 -3.557 -4.585 1.00 50.13 H new ATOM 0 HE3 LYS A 35 7.123 -2.186 -3.916 1.00 50.13 H new ATOM 0 HZ1 LYS A 35 9.365 -2.317 -3.051 1.00 55.34 H new ATOM 0 HZ2 LYS A 35 8.242 -2.549 -1.798 1.00 55.34 H new ATOM 0 HZ3 LYS A 35 9.079 -3.877 -2.446 1.00 55.34 H new ATOM 491 N GLN A 36 6.681 -5.827 -6.068 1.00 23.04 N ATOM 492 CA GLN A 36 8.059 -6.232 -6.287 1.00 52.23 C ATOM 493 C GLN A 36 8.922 -5.851 -5.083 1.00 0.14 C ATOM 494 O GLN A 36 10.149 -5.911 -5.149 1.00 42.14 O ATOM 495 CB GLN A 36 8.613 -5.618 -7.575 1.00 32.11 C ATOM 496 CG GLN A 36 7.579 -5.683 -8.701 1.00 42.33 C ATOM 497 CD GLN A 36 7.153 -7.126 -8.972 1.00 23.41 C ATOM 498 OE1 GLN A 36 7.806 -7.870 -9.687 1.00 34.02 O ATOM 499 NE2 GLN A 36 6.025 -7.481 -8.364 1.00 21.23 N ATOM 0 H GLN A 36 6.361 -5.064 -6.665 1.00 23.04 H new ATOM 0 HA GLN A 36 8.085 -7.316 -6.399 1.00 52.23 H new ATOM 0 HB2 GLN A 36 8.896 -4.581 -7.395 1.00 32.11 H new ATOM 0 HB3 GLN A 36 9.517 -6.148 -7.875 1.00 32.11 H new ATOM 0 HG2 GLN A 36 6.707 -5.087 -8.433 1.00 42.33 H new ATOM 0 HG3 GLN A 36 7.997 -5.247 -9.608 1.00 42.33 H new ATOM 0 HE21 GLN A 36 5.528 -6.809 -7.779 1.00 21.23 H new ATOM 0 HE22 GLN A 36 5.657 -8.425 -8.482 1.00 21.23 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -3.222 -2.087 -23.380 1.00 60.24 N ATOM 510 CA ALA B 1 -2.788 -0.834 -22.787 1.00 71.13 C ATOM 511 C ALA B 1 -1.383 -0.497 -23.289 1.00 72.02 C ATOM 512 O ALA B 1 -0.425 -1.203 -22.982 1.00 5.04 O ATOM 513 CB ALA B 1 -2.853 -0.941 -21.262 1.00 73.20 C ATOM 0 H1 ALA B 1 -4.177 -2.319 -23.041 1.00 60.24 H new ATOM 0 H2 ALA B 1 -3.235 -1.995 -24.416 1.00 60.24 H new ATOM 0 H3 ALA B 1 -2.564 -2.846 -23.109 1.00 60.24 H new ATOM 0 HA ALA B 1 -3.448 -0.019 -23.085 1.00 71.13 H new ATOM 0 HB1 ALA B 1 -2.527 -0.001 -20.817 1.00 73.20 H new ATOM 0 HB2 ALA B 1 -3.878 -1.152 -20.955 1.00 73.20 H new ATOM 0 HB3 ALA B 1 -2.201 -1.747 -20.926 1.00 73.20 H new ATOM 519 N ASN B 2 -1.306 0.584 -24.053 1.00 30.21 N ATOM 520 CA ASN B 2 -0.033 1.023 -24.600 1.00 35.22 C ATOM 521 C ASN B 2 1.002 1.097 -23.476 1.00 64.35 C ATOM 522 O ASN B 2 0.659 1.369 -22.327 1.00 53.33 O ATOM 523 CB ASN B 2 -0.154 2.415 -25.224 1.00 60.11 C ATOM 524 CG ASN B 2 -0.185 2.330 -26.751 1.00 14.01 C ATOM 525 OD1 ASN B 2 -1.011 1.656 -27.345 1.00 12.44 O ATOM 526 ND2 ASN B 2 0.757 3.051 -27.352 1.00 64.32 N ATOM 0 H ASN B 2 -2.103 1.168 -24.306 1.00 30.21 H new ATOM 0 HA ASN B 2 0.270 0.309 -25.366 1.00 35.22 H new ATOM 0 HB2 ASN B 2 -1.061 2.901 -24.865 1.00 60.11 H new ATOM 0 HB3 ASN B 2 0.686 3.034 -24.908 1.00 60.11 H new ATOM 0 HD21 ASN B 2 0.819 3.062 -28.370 1.00 64.32 H new ATOM 0 HD22 ASN B 2 1.417 3.593 -26.795 1.00 64.32 H new ATOM 533 N GLU B 3 2.250 0.849 -23.848 1.00 31.11 N ATOM 534 CA GLU B 3 3.338 0.884 -22.885 1.00 72.04 C ATOM 535 C GLU B 3 3.581 2.318 -22.410 1.00 35.02 C ATOM 536 O GLU B 3 3.593 3.248 -23.215 1.00 11.35 O ATOM 537 CB GLU B 3 4.613 0.279 -23.477 1.00 35.15 C ATOM 538 CG GLU B 3 5.747 0.281 -22.450 1.00 64.13 C ATOM 539 CD GLU B 3 6.582 -0.998 -22.554 1.00 34.24 C ATOM 540 OE1 GLU B 3 6.077 -2.032 -23.016 1.00 74.25 O ATOM 541 OE2 GLU B 3 7.796 -0.891 -22.134 1.00 61.54 O ATOM 0 H GLU B 3 2.531 0.623 -24.802 1.00 31.11 H new ATOM 0 HA GLU B 3 3.054 0.280 -22.023 1.00 72.04 H new ATOM 0 HB2 GLU B 3 4.417 -0.741 -23.806 1.00 35.15 H new ATOM 0 HB3 GLU B 3 4.914 0.846 -24.358 1.00 35.15 H new ATOM 0 HG2 GLU B 3 6.385 1.150 -22.609 1.00 64.13 H new ATOM 0 HG3 GLU B 3 5.333 0.369 -21.446 1.00 64.13 H new ATOM 548 N GLY B 4 3.768 2.451 -21.105 1.00 15.33 N ATOM 549 CA GLY B 4 4.009 3.757 -20.513 1.00 25.40 C ATOM 550 C GLY B 4 2.700 4.528 -20.334 1.00 63.23 C ATOM 551 O GLY B 4 2.701 5.758 -20.295 1.00 21.11 O ATOM 0 H GLY B 4 3.758 1.677 -20.441 1.00 15.33 H new ATOM 0 HA2 GLY B 4 4.500 3.637 -19.547 1.00 25.40 H new ATOM 0 HA3 GLY B 4 4.688 4.328 -21.147 1.00 25.40 H new ATOM 555 N ASP B 5 1.616 3.774 -20.231 1.00 3.32 N ATOM 556 CA ASP B 5 0.303 4.372 -20.057 1.00 1.02 C ATOM 557 C ASP B 5 0.029 4.565 -18.564 1.00 73.40 C ATOM 558 O ASP B 5 0.452 3.754 -17.742 1.00 21.55 O ATOM 559 CB ASP B 5 -0.794 3.470 -20.626 1.00 23.51 C ATOM 560 CG ASP B 5 -0.930 3.500 -22.149 1.00 41.45 C ATOM 561 OD1 ASP B 5 -0.177 4.199 -22.844 1.00 44.12 O ATOM 562 OD2 ASP B 5 -1.870 2.757 -22.628 1.00 44.33 O ATOM 0 H ASP B 5 1.620 2.755 -20.265 1.00 3.32 H new ATOM 0 HA ASP B 5 0.295 5.326 -20.585 1.00 1.02 H new ATOM 0 HB2 ASP B 5 -0.598 2.444 -20.314 1.00 23.51 H new ATOM 0 HB3 ASP B 5 -1.748 3.761 -20.185 1.00 23.51 H new ATOM 567 N VAL B 6 -0.677 5.643 -18.259 1.00 34.13 N ATOM 568 CA VAL B 6 -1.014 5.952 -16.880 1.00 4.44 C ATOM 569 C VAL B 6 -2.516 5.756 -16.669 1.00 32.54 C ATOM 570 O VAL B 6 -3.321 6.133 -17.519 1.00 25.34 O ATOM 571 CB VAL B 6 -0.541 7.365 -16.530 1.00 2.21 C ATOM 572 CG1 VAL B 6 -1.374 7.956 -15.390 1.00 74.41 C ATOM 573 CG2 VAL B 6 0.948 7.374 -16.182 1.00 62.01 C ATOM 0 H VAL B 6 -1.025 6.314 -18.944 1.00 34.13 H new ATOM 0 HA VAL B 6 -0.499 5.273 -16.200 1.00 4.44 H new ATOM 0 HB VAL B 6 -0.683 7.993 -17.409 1.00 2.21 H new ATOM 0 HG11 VAL B 6 -1.017 8.960 -15.161 1.00 74.41 H new ATOM 0 HG12 VAL B 6 -2.421 8.003 -15.690 1.00 74.41 H new ATOM 0 HG13 VAL B 6 -1.278 7.327 -14.505 1.00 74.41 H new ATOM 0 HG21 VAL B 6 1.258 8.390 -15.937 1.00 62.01 H new ATOM 0 HG22 VAL B 6 1.125 6.724 -15.325 1.00 62.01 H new ATOM 0 HG23 VAL B 6 1.523 7.014 -17.035 1.00 62.01 H new ATOM 583 N TYR B 7 -2.849 5.165 -15.530 1.00 4.34 N ATOM 584 CA TYR B 7 -4.241 4.913 -15.195 1.00 44.13 C ATOM 585 C TYR B 7 -4.593 5.506 -13.830 1.00 51.54 C ATOM 586 O TYR B 7 -3.841 5.351 -12.869 1.00 62.01 O ATOM 587 CB TYR B 7 -4.390 3.392 -15.132 1.00 12.31 C ATOM 588 CG TYR B 7 -4.591 2.728 -16.496 1.00 22.01 C ATOM 589 CD1 TYR B 7 -3.567 2.731 -17.421 1.00 50.12 C ATOM 590 CD2 TYR B 7 -5.794 2.127 -16.801 1.00 74.41 C ATOM 591 CE1 TYR B 7 -3.755 2.107 -18.705 1.00 31.12 C ATOM 592 CE2 TYR B 7 -5.983 1.502 -18.084 1.00 72.22 C ATOM 593 CZ TYR B 7 -4.954 1.523 -18.973 1.00 0.20 C ATOM 594 OH TYR B 7 -5.132 0.933 -20.186 1.00 12.15 O ATOM 0 H TYR B 7 -2.178 4.853 -14.827 1.00 4.34 H new ATOM 0 HA TYR B 7 -4.902 5.368 -15.933 1.00 44.13 H new ATOM 0 HB2 TYR B 7 -3.502 2.970 -14.661 1.00 12.31 H new ATOM 0 HB3 TYR B 7 -5.237 3.147 -14.492 1.00 12.31 H new ATOM 0 HD1 TYR B 7 -2.625 3.201 -17.182 1.00 50.12 H new ATOM 0 HD2 TYR B 7 -6.595 2.125 -16.077 1.00 74.41 H new ATOM 0 HE1 TYR B 7 -2.962 2.103 -19.438 1.00 31.12 H new ATOM 0 HE2 TYR B 7 -6.920 1.027 -18.335 1.00 72.22 H new ATOM 0 HH TYR B 7 -6.035 0.556 -20.237 1.00 12.15 H new ATOM 604 N LYS B 8 -5.737 6.174 -13.789 1.00 22.54 N ATOM 605 CA LYS B 8 -6.198 6.790 -12.556 1.00 10.11 C ATOM 606 C LYS B 8 -7.671 6.440 -12.336 1.00 2.54 C ATOM 607 O LYS B 8 -8.407 6.204 -13.292 1.00 63.14 O ATOM 608 CB LYS B 8 -5.919 8.295 -12.574 1.00 31.53 C ATOM 609 CG LYS B 8 -6.542 8.982 -11.356 1.00 53.10 C ATOM 610 CD LYS B 8 -6.484 10.504 -11.497 1.00 3.24 C ATOM 611 CE LYS B 8 -7.681 11.165 -10.809 1.00 62.21 C ATOM 612 NZ LYS B 8 -7.252 11.853 -9.571 1.00 42.22 N ATOM 0 H LYS B 8 -6.357 6.302 -14.588 1.00 22.54 H new ATOM 0 HA LYS B 8 -5.646 6.396 -11.703 1.00 10.11 H new ATOM 0 HB2 LYS B 8 -4.843 8.469 -12.584 1.00 31.53 H new ATOM 0 HB3 LYS B 8 -6.321 8.732 -13.488 1.00 31.53 H new ATOM 0 HG2 LYS B 8 -7.578 8.663 -11.244 1.00 53.10 H new ATOM 0 HG3 LYS B 8 -6.015 8.676 -10.452 1.00 53.10 H new ATOM 0 HD2 LYS B 8 -5.558 10.878 -11.061 1.00 3.24 H new ATOM 0 HD3 LYS B 8 -6.472 10.775 -12.553 1.00 3.24 H new ATOM 0 HE2 LYS B 8 -8.148 11.880 -11.486 1.00 62.21 H new ATOM 0 HE3 LYS B 8 -8.433 10.412 -10.572 1.00 62.21 H new ATOM 0 HZ1 LYS B 8 -8.076 12.296 -9.117 1.00 42.22 H new ATOM 0 HZ2 LYS B 8 -6.827 11.163 -8.920 1.00 42.22 H new ATOM 0 HZ3 LYS B 8 -6.551 12.585 -9.806 1.00 42.22 H new ATOM 625 N CYS B 9 -8.058 6.419 -11.069 1.00 31.15 N ATOM 626 CA CYS B 9 -9.429 6.102 -10.711 1.00 34.23 C ATOM 627 C CYS B 9 -10.199 7.414 -10.548 1.00 11.53 C ATOM 628 O CYS B 9 -9.608 8.493 -10.576 1.00 21.15 O ATOM 629 CB CYS B 9 -9.501 5.238 -9.449 1.00 44.42 C ATOM 630 SG CYS B 9 -11.098 4.380 -9.195 1.00 62.41 S ATOM 0 H CYS B 9 -7.445 6.617 -10.278 1.00 31.15 H new ATOM 0 HA CYS B 9 -9.885 5.509 -11.504 1.00 34.23 H new ATOM 0 HB2 CYS B 9 -8.707 4.493 -9.490 1.00 44.42 H new ATOM 0 HB3 CYS B 9 -9.302 5.868 -8.582 1.00 44.42 H new ATOM 635 N GLU B 10 -11.507 7.280 -10.382 1.00 21.05 N ATOM 636 CA GLU B 10 -12.364 8.442 -10.214 1.00 24.12 C ATOM 637 C GLU B 10 -13.087 8.379 -8.867 1.00 23.11 C ATOM 638 O GLU B 10 -13.979 9.181 -8.600 1.00 33.22 O ATOM 639 CB GLU B 10 -13.362 8.557 -11.368 1.00 12.23 C ATOM 640 CG GLU B 10 -12.639 8.649 -12.712 1.00 70.23 C ATOM 641 CD GLU B 10 -11.991 10.024 -12.893 1.00 45.01 C ATOM 642 OE1 GLU B 10 -11.726 10.719 -11.902 1.00 4.24 O ATOM 643 OE2 GLU B 10 -11.762 10.362 -14.117 1.00 32.05 O ATOM 0 H GLU B 10 -11.994 6.384 -10.360 1.00 21.05 H new ATOM 0 HA GLU B 10 -11.739 9.335 -10.226 1.00 24.12 H new ATOM 0 HB2 GLU B 10 -14.026 7.692 -11.367 1.00 12.23 H new ATOM 0 HB3 GLU B 10 -13.987 9.439 -11.226 1.00 12.23 H new ATOM 0 HG2 GLU B 10 -11.876 7.873 -12.773 1.00 70.23 H new ATOM 0 HG3 GLU B 10 -13.345 8.466 -13.522 1.00 70.23 H new ATOM 650 N LEU B 11 -12.674 7.417 -8.054 1.00 61.42 N ATOM 651 CA LEU B 11 -13.271 7.238 -6.742 1.00 51.15 C ATOM 652 C LEU B 11 -12.163 7.096 -5.697 1.00 63.11 C ATOM 653 O LEU B 11 -11.971 7.981 -4.865 1.00 54.22 O ATOM 654 CB LEU B 11 -14.256 6.068 -6.757 1.00 35.13 C ATOM 655 CG LEU B 11 -14.458 5.344 -5.424 1.00 4.12 C ATOM 656 CD1 LEU B 11 -15.278 6.197 -4.454 1.00 42.31 C ATOM 657 CD2 LEU B 11 -15.078 3.962 -5.639 1.00 13.34 C ATOM 0 H LEU B 11 -11.933 6.753 -8.279 1.00 61.42 H new ATOM 0 HA LEU B 11 -13.858 8.115 -6.468 1.00 51.15 H new ATOM 0 HB2 LEU B 11 -15.223 6.438 -7.097 1.00 35.13 H new ATOM 0 HB3 LEU B 11 -13.915 5.341 -7.494 1.00 35.13 H new ATOM 0 HG LEU B 11 -13.480 5.190 -4.968 1.00 4.12 H new ATOM 0 HD11 LEU B 11 -15.406 5.658 -3.515 1.00 42.31 H new ATOM 0 HD12 LEU B 11 -14.757 7.136 -4.266 1.00 42.31 H new ATOM 0 HD13 LEU B 11 -16.255 6.405 -4.889 1.00 42.31 H new ATOM 0 HD21 LEU B 11 -15.211 3.469 -4.676 1.00 13.34 H new ATOM 0 HD22 LEU B 11 -16.046 4.070 -6.128 1.00 13.34 H new ATOM 0 HD23 LEU B 11 -14.419 3.361 -6.266 1.00 13.34 H new ATOM 669 N CYS B 12 -11.461 5.974 -5.775 1.00 5.25 N ATOM 670 CA CYS B 12 -10.376 5.705 -4.846 1.00 33.53 C ATOM 671 C CYS B 12 -9.257 6.715 -5.107 1.00 52.23 C ATOM 672 O CYS B 12 -8.362 6.881 -4.282 1.00 3.44 O ATOM 673 CB CYS B 12 -9.880 4.262 -4.960 1.00 10.11 C ATOM 674 SG CYS B 12 -8.955 3.887 -6.494 1.00 73.05 S ATOM 0 H CYS B 12 -11.622 5.242 -6.466 1.00 5.25 H new ATOM 0 HA CYS B 12 -10.734 5.818 -3.823 1.00 33.53 H new ATOM 0 HB2 CYS B 12 -9.241 4.044 -4.105 1.00 10.11 H new ATOM 0 HB3 CYS B 12 -10.737 3.592 -4.896 1.00 10.11 H new ATOM 679 N GLY B 13 -9.346 7.363 -6.260 1.00 15.53 N ATOM 680 CA GLY B 13 -8.353 8.353 -6.640 1.00 11.02 C ATOM 681 C GLY B 13 -6.949 7.744 -6.652 1.00 60.03 C ATOM 682 O GLY B 13 -6.000 8.351 -6.158 1.00 53.21 O ATOM 0 H GLY B 13 -10.090 7.221 -6.943 1.00 15.53 H new ATOM 0 HA2 GLY B 13 -8.589 8.750 -7.627 1.00 11.02 H new ATOM 0 HA3 GLY B 13 -8.384 9.191 -5.943 1.00 11.02 H new ATOM 686 N GLN B 14 -6.861 6.551 -7.222 1.00 53.34 N ATOM 687 CA GLN B 14 -5.589 5.854 -7.306 1.00 32.22 C ATOM 688 C GLN B 14 -4.979 6.028 -8.698 1.00 11.31 C ATOM 689 O GLN B 14 -5.669 5.884 -9.705 1.00 54.34 O ATOM 690 CB GLN B 14 -5.754 4.372 -6.961 1.00 4.04 C ATOM 691 CG GLN B 14 -4.442 3.613 -7.170 1.00 23.45 C ATOM 692 CD GLN B 14 -4.233 2.568 -6.071 1.00 61.32 C ATOM 693 OE1 GLN B 14 -3.339 2.666 -5.247 1.00 3.54 O ATOM 694 NE2 GLN B 14 -5.105 1.564 -6.106 1.00 21.41 N ATOM 0 H GLN B 14 -7.650 6.050 -7.630 1.00 53.34 H new ATOM 0 HA GLN B 14 -4.908 6.291 -6.576 1.00 32.22 H new ATOM 0 HB2 GLN B 14 -6.077 4.270 -5.925 1.00 4.04 H new ATOM 0 HB3 GLN B 14 -6.535 3.934 -7.583 1.00 4.04 H new ATOM 0 HG2 GLN B 14 -4.451 3.125 -8.144 1.00 23.45 H new ATOM 0 HG3 GLN B 14 -3.608 4.315 -7.173 1.00 23.45 H new ATOM 0 HE21 GLN B 14 -5.830 1.543 -6.823 1.00 21.41 H new ATOM 0 HE22 GLN B 14 -5.049 0.815 -5.415 1.00 21.41 H new ATOM 703 N VAL B 15 -3.690 6.336 -8.709 1.00 21.42 N ATOM 704 CA VAL B 15 -2.978 6.531 -9.961 1.00 35.14 C ATOM 705 C VAL B 15 -1.820 5.535 -10.044 1.00 63.14 C ATOM 706 O VAL B 15 -1.061 5.378 -9.089 1.00 61.05 O ATOM 707 CB VAL B 15 -2.524 7.987 -10.082 1.00 51.15 C ATOM 708 CG1 VAL B 15 -1.841 8.237 -11.428 1.00 50.52 C ATOM 709 CG2 VAL B 15 -3.698 8.946 -9.877 1.00 11.53 C ATOM 0 H VAL B 15 -3.120 6.455 -7.871 1.00 21.42 H new ATOM 0 HA VAL B 15 -3.635 6.337 -10.809 1.00 35.14 H new ATOM 0 HB VAL B 15 -1.795 8.178 -9.295 1.00 51.15 H new ATOM 0 HG11 VAL B 15 -1.528 9.279 -11.489 1.00 50.52 H new ATOM 0 HG12 VAL B 15 -0.969 7.590 -11.519 1.00 50.52 H new ATOM 0 HG13 VAL B 15 -2.539 8.020 -12.236 1.00 50.52 H new ATOM 0 HG21 VAL B 15 -3.348 9.974 -9.968 1.00 11.53 H new ATOM 0 HG22 VAL B 15 -4.461 8.754 -10.632 1.00 11.53 H new ATOM 0 HG23 VAL B 15 -4.123 8.794 -8.885 1.00 11.53 H new ATOM 719 N VAL B 16 -1.721 4.887 -11.197 1.00 4.41 N ATOM 720 CA VAL B 16 -0.668 3.911 -11.417 1.00 61.54 C ATOM 721 C VAL B 16 -0.120 4.070 -12.838 1.00 35.44 C ATOM 722 O VAL B 16 -0.761 4.687 -13.688 1.00 24.34 O ATOM 723 CB VAL B 16 -1.193 2.502 -11.133 1.00 45.31 C ATOM 724 CG1 VAL B 16 -1.530 2.332 -9.650 1.00 73.45 C ATOM 725 CG2 VAL B 16 -2.403 2.181 -12.012 1.00 62.53 C ATOM 0 H VAL B 16 -2.352 5.019 -11.987 1.00 4.41 H new ATOM 0 HA VAL B 16 0.160 4.080 -10.728 1.00 61.54 H new ATOM 0 HB VAL B 16 -0.403 1.793 -11.380 1.00 45.31 H new ATOM 0 HG11 VAL B 16 -1.901 1.322 -9.475 1.00 73.45 H new ATOM 0 HG12 VAL B 16 -0.634 2.498 -9.052 1.00 73.45 H new ATOM 0 HG13 VAL B 16 -2.295 3.054 -9.366 1.00 73.45 H new ATOM 0 HG21 VAL B 16 -2.757 1.174 -11.791 1.00 62.53 H new ATOM 0 HG22 VAL B 16 -3.199 2.898 -11.811 1.00 62.53 H new ATOM 0 HG23 VAL B 16 -2.116 2.242 -13.062 1.00 62.53 H new ATOM 735 N LYS B 17 1.058 3.503 -13.050 1.00 74.31 N ATOM 736 CA LYS B 17 1.698 3.574 -14.353 1.00 74.01 C ATOM 737 C LYS B 17 1.843 2.161 -14.923 1.00 43.23 C ATOM 738 O LYS B 17 1.825 1.183 -14.178 1.00 24.53 O ATOM 739 CB LYS B 17 3.020 4.338 -14.259 1.00 14.03 C ATOM 740 CG LYS B 17 3.974 3.923 -15.381 1.00 5.12 C ATOM 741 CD LYS B 17 3.573 4.567 -16.708 1.00 50.41 C ATOM 742 CE LYS B 17 4.340 5.871 -16.939 1.00 13.34 C ATOM 743 NZ LYS B 17 5.653 5.596 -17.563 1.00 4.35 N ATOM 0 H LYS B 17 1.586 2.993 -12.342 1.00 74.31 H new ATOM 0 HA LYS B 17 1.079 4.138 -15.051 1.00 74.01 H new ATOM 0 HB2 LYS B 17 2.830 5.410 -14.316 1.00 14.03 H new ATOM 0 HB3 LYS B 17 3.486 4.148 -13.292 1.00 14.03 H new ATOM 0 HG2 LYS B 17 4.992 4.215 -15.124 1.00 5.12 H new ATOM 0 HG3 LYS B 17 3.970 2.838 -15.484 1.00 5.12 H new ATOM 0 HD2 LYS B 17 3.771 3.875 -17.527 1.00 50.41 H new ATOM 0 HD3 LYS B 17 2.501 4.766 -16.711 1.00 50.41 H new ATOM 0 HE2 LYS B 17 3.758 6.534 -17.579 1.00 13.34 H new ATOM 0 HE3 LYS B 17 4.483 6.389 -15.991 1.00 13.34 H new ATOM 0 HZ1 LYS B 17 6.221 6.467 -17.574 1.00 4.35 H new ATOM 0 HZ2 LYS B 17 6.151 4.864 -17.017 1.00 4.35 H new ATOM 0 HZ3 LYS B 17 5.511 5.263 -18.538 1.00 4.35 H new ATOM 756 N VAL B 18 1.984 2.100 -16.238 1.00 62.14 N ATOM 757 CA VAL B 18 2.132 0.824 -16.917 1.00 31.02 C ATOM 758 C VAL B 18 3.563 0.695 -17.444 1.00 70.44 C ATOM 759 O VAL B 18 3.837 1.033 -18.595 1.00 23.05 O ATOM 760 CB VAL B 18 1.075 0.689 -18.016 1.00 3.23 C ATOM 761 CG1 VAL B 18 1.367 -0.516 -18.912 1.00 31.12 C ATOM 762 CG2 VAL B 18 -0.329 0.601 -17.417 1.00 71.44 C ATOM 0 H VAL B 18 1.999 2.914 -16.852 1.00 62.14 H new ATOM 0 HA VAL B 18 1.965 0.000 -16.223 1.00 31.02 H new ATOM 0 HB VAL B 18 1.119 1.585 -18.636 1.00 3.23 H new ATOM 0 HG11 VAL B 18 0.601 -0.589 -19.684 1.00 31.12 H new ATOM 0 HG12 VAL B 18 2.344 -0.393 -19.380 1.00 31.12 H new ATOM 0 HG13 VAL B 18 1.364 -1.425 -18.311 1.00 31.12 H new ATOM 0 HG21 VAL B 18 -1.061 0.506 -18.219 1.00 71.44 H new ATOM 0 HG22 VAL B 18 -0.392 -0.269 -16.763 1.00 71.44 H new ATOM 0 HG23 VAL B 18 -0.536 1.503 -16.842 1.00 71.44 H new ATOM 772 N LEU B 19 4.436 0.203 -16.577 1.00 3.22 N ATOM 773 CA LEU B 19 5.832 0.024 -16.941 1.00 10.31 C ATOM 774 C LEU B 19 5.933 -1.008 -18.066 1.00 11.21 C ATOM 775 O LEU B 19 6.676 -0.813 -19.027 1.00 22.15 O ATOM 776 CB LEU B 19 6.666 -0.326 -15.708 1.00 45.21 C ATOM 777 CG LEU B 19 8.128 0.126 -15.736 1.00 51.03 C ATOM 778 CD1 LEU B 19 8.558 0.680 -14.377 1.00 35.21 C ATOM 779 CD2 LEU B 19 9.042 -1.006 -16.210 1.00 2.40 C ATOM 0 H LEU B 19 4.204 -0.077 -15.624 1.00 3.22 H new ATOM 0 HA LEU B 19 6.248 0.955 -17.325 1.00 10.31 H new ATOM 0 HB2 LEU B 19 6.187 0.114 -14.833 1.00 45.21 H new ATOM 0 HB3 LEU B 19 6.643 -1.407 -15.574 1.00 45.21 H new ATOM 0 HG LEU B 19 8.221 0.938 -16.457 1.00 51.03 H new ATOM 0 HD11 LEU B 19 9.601 0.994 -14.425 1.00 35.21 H new ATOM 0 HD12 LEU B 19 7.933 1.535 -14.119 1.00 35.21 H new ATOM 0 HD13 LEU B 19 8.447 -0.093 -13.617 1.00 35.21 H new ATOM 0 HD21 LEU B 19 10.075 -0.659 -16.221 1.00 2.40 H new ATOM 0 HD22 LEU B 19 8.951 -1.855 -15.532 1.00 2.40 H new ATOM 0 HD23 LEU B 19 8.751 -1.312 -17.215 1.00 2.40 H new ATOM 791 N GLU B 20 5.175 -2.083 -17.909 1.00 25.20 N ATOM 792 CA GLU B 20 5.170 -3.146 -18.899 1.00 25.21 C ATOM 793 C GLU B 20 3.743 -3.645 -19.136 1.00 1.42 C ATOM 794 O GLU B 20 3.191 -4.372 -18.311 1.00 4.20 O ATOM 795 CB GLU B 20 6.089 -4.295 -18.475 1.00 34.20 C ATOM 796 CG GLU B 20 5.736 -5.582 -19.222 1.00 21.54 C ATOM 797 CD GLU B 20 6.027 -5.446 -20.718 1.00 20.11 C ATOM 798 OE1 GLU B 20 7.260 -5.621 -21.052 1.00 75.23 O ATOM 799 OE2 GLU B 20 5.106 -5.183 -21.505 1.00 70.35 O ATOM 0 H GLU B 20 4.560 -2.241 -17.111 1.00 25.20 H new ATOM 0 HA GLU B 20 5.554 -2.744 -19.837 1.00 25.21 H new ATOM 0 HB2 GLU B 20 7.127 -4.028 -18.674 1.00 34.20 H new ATOM 0 HB3 GLU B 20 6.002 -4.458 -17.401 1.00 34.20 H new ATOM 0 HG2 GLU B 20 6.308 -6.414 -18.811 1.00 21.54 H new ATOM 0 HG3 GLU B 20 4.682 -5.816 -19.073 1.00 21.54 H new ATOM 806 N GLU B 21 3.188 -3.234 -20.266 1.00 73.11 N ATOM 807 CA GLU B 21 1.836 -3.630 -20.622 1.00 15.12 C ATOM 808 C GLU B 21 1.782 -5.130 -20.918 1.00 64.10 C ATOM 809 O GLU B 21 2.780 -5.722 -21.325 1.00 52.24 O ATOM 810 CB GLU B 21 1.322 -2.818 -21.812 1.00 10.43 C ATOM 811 CG GLU B 21 2.114 -3.141 -23.080 1.00 5.20 C ATOM 812 CD GLU B 21 1.505 -2.448 -24.300 1.00 52.02 C ATOM 813 OE1 GLU B 21 0.350 -2.726 -24.657 1.00 71.02 O ATOM 814 OE2 GLU B 21 2.274 -1.593 -24.883 1.00 71.43 O ATOM 0 H GLU B 21 3.649 -2.631 -20.947 1.00 73.11 H new ATOM 0 HA GLU B 21 1.183 -3.423 -19.774 1.00 15.12 H new ATOM 0 HB2 GLU B 21 0.266 -3.033 -21.974 1.00 10.43 H new ATOM 0 HB3 GLU B 21 1.400 -1.753 -21.591 1.00 10.43 H new ATOM 0 HG2 GLU B 21 3.149 -2.824 -22.957 1.00 5.20 H new ATOM 0 HG3 GLU B 21 2.128 -4.219 -23.239 1.00 5.20 H new ATOM 821 N GLY B 22 0.607 -5.702 -20.702 1.00 52.12 N ATOM 822 CA GLY B 22 0.409 -7.121 -20.940 1.00 25.34 C ATOM 823 C GLY B 22 -0.489 -7.738 -19.866 1.00 61.44 C ATOM 824 O GLY B 22 -0.012 -8.119 -18.798 1.00 33.12 O ATOM 0 H GLY B 22 -0.219 -5.207 -20.364 1.00 52.12 H new ATOM 0 HA2 GLY B 22 -0.039 -7.269 -21.923 1.00 25.34 H new ATOM 0 HA3 GLY B 22 1.373 -7.630 -20.949 1.00 25.34 H new ATOM 828 N GLY B 23 -1.771 -7.819 -20.187 1.00 54.54 N ATOM 829 CA GLY B 23 -2.741 -8.382 -19.264 1.00 23.53 C ATOM 830 C GLY B 23 -4.166 -8.210 -19.791 1.00 10.23 C ATOM 831 O GLY B 23 -4.483 -8.657 -20.892 1.00 64.20 O ATOM 0 H GLY B 23 -2.161 -7.504 -21.075 1.00 54.54 H new ATOM 0 HA2 GLY B 23 -2.531 -9.441 -19.112 1.00 23.53 H new ATOM 0 HA3 GLY B 23 -2.648 -7.896 -18.293 1.00 23.53 H new ATOM 835 N GLY B 24 -4.989 -7.561 -18.980 1.00 2.12 N ATOM 836 CA GLY B 24 -6.373 -7.324 -19.351 1.00 1.00 C ATOM 837 C GLY B 24 -6.883 -6.010 -18.754 1.00 40.25 C ATOM 838 O GLY B 24 -6.652 -4.939 -19.314 1.00 3.24 O ATOM 0 H GLY B 24 -4.723 -7.192 -18.067 1.00 2.12 H new ATOM 0 HA2 GLY B 24 -6.462 -7.293 -20.437 1.00 1.00 H new ATOM 0 HA3 GLY B 24 -6.993 -8.150 -19.004 1.00 1.00 H new ATOM 842 N THR B 25 -7.569 -6.136 -17.628 1.00 44.01 N ATOM 843 CA THR B 25 -8.113 -4.971 -16.950 1.00 70.41 C ATOM 844 C THR B 25 -7.520 -4.847 -15.545 1.00 54.51 C ATOM 845 O THR B 25 -7.159 -5.847 -14.929 1.00 33.34 O ATOM 846 CB THR B 25 -9.638 -5.091 -16.957 1.00 21.15 C ATOM 847 OG1 THR B 25 -10.007 -4.751 -18.291 1.00 32.20 O ATOM 848 CG2 THR B 25 -10.314 -4.019 -16.098 1.00 72.42 C ATOM 0 H THR B 25 -7.761 -7.026 -17.168 1.00 44.01 H new ATOM 0 HA THR B 25 -7.842 -4.050 -17.466 1.00 70.41 H new ATOM 0 HB THR B 25 -9.926 -6.079 -16.597 1.00 21.15 H new ATOM 0 HG1 THR B 25 -10.981 -4.805 -18.385 1.00 32.20 H new ATOM 0 HG21 THR B 25 -11.395 -4.149 -16.138 1.00 72.42 H new ATOM 0 HG22 THR B 25 -9.975 -4.112 -15.066 1.00 72.42 H new ATOM 0 HG23 THR B 25 -10.054 -3.031 -16.478 1.00 72.42 H new ATOM 856 N LEU B 26 -7.437 -3.608 -15.080 1.00 31.40 N ATOM 857 CA LEU B 26 -6.894 -3.340 -13.760 1.00 52.21 C ATOM 858 C LEU B 26 -8.008 -2.813 -12.852 1.00 63.53 C ATOM 859 O LEU B 26 -8.432 -1.666 -12.986 1.00 34.33 O ATOM 860 CB LEU B 26 -5.687 -2.404 -13.858 1.00 31.24 C ATOM 861 CG LEU B 26 -4.635 -2.774 -14.905 1.00 51.01 C ATOM 862 CD1 LEU B 26 -3.495 -1.754 -14.921 1.00 22.12 C ATOM 863 CD2 LEU B 26 -4.126 -4.200 -14.692 1.00 21.24 C ATOM 0 H LEU B 26 -7.737 -2.780 -15.594 1.00 31.40 H new ATOM 0 HA LEU B 26 -6.521 -4.259 -13.308 1.00 52.21 H new ATOM 0 HB2 LEU B 26 -6.048 -1.399 -14.074 1.00 31.24 H new ATOM 0 HB3 LEU B 26 -5.202 -2.365 -12.883 1.00 31.24 H new ATOM 0 HG LEU B 26 -5.106 -2.745 -15.887 1.00 51.01 H new ATOM 0 HD11 LEU B 26 -2.761 -2.041 -15.674 1.00 22.12 H new ATOM 0 HD12 LEU B 26 -3.893 -0.767 -15.159 1.00 22.12 H new ATOM 0 HD13 LEU B 26 -3.018 -1.726 -13.941 1.00 22.12 H new ATOM 0 HD21 LEU B 26 -3.379 -4.437 -15.450 1.00 21.24 H new ATOM 0 HD22 LEU B 26 -3.677 -4.282 -13.702 1.00 21.24 H new ATOM 0 HD23 LEU B 26 -4.958 -4.899 -14.772 1.00 21.24 H new ATOM 875 N VAL B 27 -8.449 -3.677 -11.949 1.00 51.45 N ATOM 876 CA VAL B 27 -9.505 -3.313 -11.020 1.00 35.33 C ATOM 877 C VAL B 27 -8.897 -2.573 -9.827 1.00 64.05 C ATOM 878 O VAL B 27 -7.708 -2.714 -9.546 1.00 33.14 O ATOM 879 CB VAL B 27 -10.295 -4.559 -10.611 1.00 44.31 C ATOM 880 CG1 VAL B 27 -10.746 -4.468 -9.153 1.00 25.13 C ATOM 881 CG2 VAL B 27 -11.489 -4.781 -11.542 1.00 45.31 C ATOM 0 H VAL B 27 -8.094 -4.627 -11.841 1.00 51.45 H new ATOM 0 HA VAL B 27 -10.214 -2.636 -11.495 1.00 35.33 H new ATOM 0 HB VAL B 27 -9.634 -5.420 -10.703 1.00 44.31 H new ATOM 0 HG11 VAL B 27 -11.305 -5.366 -8.888 1.00 25.13 H new ATOM 0 HG12 VAL B 27 -9.873 -4.381 -8.507 1.00 25.13 H new ATOM 0 HG13 VAL B 27 -11.383 -3.593 -9.023 1.00 25.13 H new ATOM 0 HG21 VAL B 27 -12.033 -5.672 -11.230 1.00 45.31 H new ATOM 0 HG22 VAL B 27 -12.152 -3.917 -11.496 1.00 45.31 H new ATOM 0 HG23 VAL B 27 -11.134 -4.912 -12.564 1.00 45.31 H new ATOM 891 N CYS B 28 -9.740 -1.800 -9.158 1.00 41.21 N ATOM 892 CA CYS B 28 -9.300 -1.038 -8.003 1.00 51.30 C ATOM 893 C CYS B 28 -10.538 -0.580 -7.230 1.00 12.03 C ATOM 894 O CYS B 28 -11.516 -0.131 -7.825 1.00 73.42 O ATOM 895 CB CYS B 28 -8.412 0.141 -8.407 1.00 64.51 C ATOM 896 SG CYS B 28 -9.289 1.512 -9.242 1.00 10.10 S ATOM 0 H CYS B 28 -10.726 -1.685 -9.394 1.00 41.21 H new ATOM 0 HA CYS B 28 -8.684 -1.669 -7.362 1.00 51.30 H new ATOM 0 HB2 CYS B 28 -7.923 0.532 -7.515 1.00 64.51 H new ATOM 0 HB3 CYS B 28 -7.626 -0.224 -9.068 1.00 64.51 H new ATOM 901 N CYS B 29 -10.456 -0.709 -5.913 1.00 45.31 N ATOM 902 CA CYS B 29 -11.558 -0.315 -5.053 1.00 14.45 C ATOM 903 C CYS B 29 -12.849 -0.905 -5.623 1.00 31.31 C ATOM 904 O CYS B 29 -13.725 -0.170 -6.077 1.00 1.34 O ATOM 905 CB CYS B 29 -11.643 1.206 -4.903 1.00 53.15 C ATOM 906 SG CYS B 29 -12.213 2.093 -6.399 1.00 64.11 S ATOM 0 H CYS B 29 -9.643 -1.081 -5.422 1.00 45.31 H new ATOM 0 HA CYS B 29 -11.395 -0.705 -4.048 1.00 14.45 H new ATOM 0 HB2 CYS B 29 -12.319 1.439 -4.080 1.00 53.15 H new ATOM 0 HB3 CYS B 29 -10.660 1.585 -4.625 1.00 53.15 H new ATOM 911 N GLY B 30 -12.926 -2.227 -5.581 1.00 61.52 N ATOM 912 CA GLY B 30 -14.096 -2.924 -6.089 1.00 24.33 C ATOM 913 C GLY B 30 -14.634 -2.247 -7.350 1.00 1.40 C ATOM 914 O GLY B 30 -15.832 -2.299 -7.623 1.00 43.54 O ATOM 0 H GLY B 30 -12.198 -2.834 -5.203 1.00 61.52 H new ATOM 0 HA2 GLY B 30 -13.839 -3.960 -6.310 1.00 24.33 H new ATOM 0 HA3 GLY B 30 -14.872 -2.944 -5.324 1.00 24.33 H new ATOM 918 N GLU B 31 -13.723 -1.626 -8.085 1.00 43.41 N ATOM 919 CA GLU B 31 -14.091 -0.938 -9.310 1.00 61.13 C ATOM 920 C GLU B 31 -13.077 -1.241 -10.415 1.00 30.23 C ATOM 921 O GLU B 31 -12.336 -2.219 -10.331 1.00 62.22 O ATOM 922 CB GLU B 31 -14.215 0.569 -9.077 1.00 75.45 C ATOM 923 CG GLU B 31 -15.645 1.048 -9.340 1.00 41.11 C ATOM 924 CD GLU B 31 -15.707 1.927 -10.592 1.00 34.34 C ATOM 925 OE1 GLU B 31 -14.890 1.758 -11.508 1.00 45.14 O ATOM 926 OE2 GLU B 31 -16.647 2.810 -10.591 1.00 51.32 O ATOM 0 H GLU B 31 -12.730 -1.585 -7.855 1.00 43.41 H new ATOM 0 HA GLU B 31 -15.067 -1.304 -9.630 1.00 61.13 H new ATOM 0 HB2 GLU B 31 -13.931 0.807 -8.052 1.00 75.45 H new ATOM 0 HB3 GLU B 31 -13.523 1.100 -9.731 1.00 75.45 H new ATOM 0 HG2 GLU B 31 -16.304 0.188 -9.462 1.00 41.11 H new ATOM 0 HG3 GLU B 31 -16.009 1.609 -8.479 1.00 41.11 H new ATOM 933 N ASP B 32 -13.076 -0.383 -11.424 1.00 43.44 N ATOM 934 CA ASP B 32 -12.164 -0.546 -12.543 1.00 64.34 C ATOM 935 C ASP B 32 -11.460 0.784 -12.822 1.00 35.30 C ATOM 936 O ASP B 32 -12.099 1.755 -13.225 1.00 45.05 O ATOM 937 CB ASP B 32 -12.915 -0.958 -13.811 1.00 12.23 C ATOM 938 CG ASP B 32 -12.248 -2.065 -14.629 1.00 2.24 C ATOM 939 OD1 ASP B 32 -11.114 -1.747 -15.155 1.00 4.25 O ATOM 940 OD2 ASP B 32 -12.783 -3.177 -14.756 1.00 14.34 O ATOM 0 H ASP B 32 -13.692 0.427 -11.490 1.00 43.44 H new ATOM 0 HA ASP B 32 -11.446 -1.323 -12.280 1.00 64.34 H new ATOM 0 HB2 ASP B 32 -13.916 -1.287 -13.531 1.00 12.23 H new ATOM 0 HB3 ASP B 32 -13.034 -0.080 -14.446 1.00 12.23 H new ATOM 945 N MET B 33 -10.156 0.786 -12.595 1.00 23.22 N ATOM 946 CA MET B 33 -9.359 1.981 -12.816 1.00 74.52 C ATOM 947 C MET B 33 -9.592 2.544 -14.219 1.00 72.42 C ATOM 948 O MET B 33 -10.018 1.820 -15.119 1.00 41.21 O ATOM 949 CB MET B 33 -7.877 1.646 -12.640 1.00 3.51 C ATOM 950 CG MET B 33 -7.233 2.546 -11.583 1.00 54.50 C ATOM 951 SD MET B 33 -6.287 1.561 -10.435 1.00 65.45 S ATOM 952 CE MET B 33 -5.251 0.663 -11.579 1.00 44.54 C ATOM 0 H MET B 33 -9.630 -0.021 -12.260 1.00 23.22 H new ATOM 0 HA MET B 33 -9.659 2.735 -12.088 1.00 74.52 H new ATOM 0 HB2 MET B 33 -7.769 0.601 -12.348 1.00 3.51 H new ATOM 0 HB3 MET B 33 -7.358 1.767 -13.591 1.00 3.51 H new ATOM 0 HG2 MET B 33 -6.586 3.280 -12.064 1.00 54.50 H new ATOM 0 HG3 MET B 33 -8.004 3.102 -11.049 1.00 54.50 H new ATOM 0 HE1 MET B 33 -4.351 0.324 -11.066 1.00 44.54 H new ATOM 0 HE2 MET B 33 -5.796 -0.199 -11.964 1.00 44.54 H new ATOM 0 HE3 MET B 33 -4.973 1.315 -12.407 1.00 44.54 H new ATOM 962 N VAL B 34 -9.303 3.828 -14.363 1.00 23.03 N ATOM 963 CA VAL B 34 -9.476 4.497 -15.642 1.00 24.44 C ATOM 964 C VAL B 34 -8.102 4.796 -16.246 1.00 35.04 C ATOM 965 O VAL B 34 -7.094 4.780 -15.541 1.00 41.45 O ATOM 966 CB VAL B 34 -10.338 5.748 -15.466 1.00 43.53 C ATOM 967 CG1 VAL B 34 -10.868 6.242 -16.813 1.00 61.53 C ATOM 968 CG2 VAL B 34 -11.484 5.491 -14.487 1.00 34.31 C ATOM 0 H VAL B 34 -8.950 4.424 -13.615 1.00 23.03 H new ATOM 0 HA VAL B 34 -10.005 3.851 -16.343 1.00 24.44 H new ATOM 0 HB VAL B 34 -9.708 6.532 -15.046 1.00 43.53 H new ATOM 0 HG11 VAL B 34 -11.478 7.132 -16.660 1.00 61.53 H new ATOM 0 HG12 VAL B 34 -10.030 6.484 -17.467 1.00 61.53 H new ATOM 0 HG13 VAL B 34 -11.474 5.462 -17.274 1.00 61.53 H new ATOM 0 HG21 VAL B 34 -12.081 6.397 -14.380 1.00 34.31 H new ATOM 0 HG22 VAL B 34 -12.112 4.685 -14.866 1.00 34.31 H new ATOM 0 HG23 VAL B 34 -11.077 5.208 -13.516 1.00 34.31 H new ATOM 978 N LYS B 35 -8.107 5.062 -17.544 1.00 53.23 N ATOM 979 CA LYS B 35 -6.874 5.365 -18.251 1.00 31.04 C ATOM 980 C LYS B 35 -6.893 6.829 -18.694 1.00 62.34 C ATOM 981 O LYS B 35 -7.885 7.300 -19.248 1.00 40.44 O ATOM 982 CB LYS B 35 -6.657 4.376 -19.397 1.00 74.22 C ATOM 983 CG LYS B 35 -6.059 5.077 -20.619 1.00 23.22 C ATOM 984 CD LYS B 35 -4.597 5.453 -20.374 1.00 64.41 C ATOM 985 CE LYS B 35 -4.112 6.471 -21.408 1.00 21.13 C ATOM 986 NZ LYS B 35 -2.940 7.215 -20.894 1.00 22.34 N ATOM 0 H LYS B 35 -8.945 5.074 -18.125 1.00 53.23 H new ATOM 0 HA LYS B 35 -6.015 5.243 -17.591 1.00 31.04 H new ATOM 0 HB2 LYS B 35 -5.993 3.576 -19.071 1.00 74.22 H new ATOM 0 HB3 LYS B 35 -7.606 3.913 -19.667 1.00 74.22 H new ATOM 0 HG2 LYS B 35 -6.129 4.423 -21.488 1.00 23.22 H new ATOM 0 HG3 LYS B 35 -6.636 5.974 -20.847 1.00 23.22 H new ATOM 0 HD2 LYS B 35 -4.487 5.867 -19.372 1.00 64.41 H new ATOM 0 HD3 LYS B 35 -3.975 4.559 -20.419 1.00 64.41 H new ATOM 0 HE2 LYS B 35 -3.848 5.960 -22.334 1.00 21.13 H new ATOM 0 HE3 LYS B 35 -4.916 7.167 -21.646 1.00 21.13 H new ATOM 0 HZ1 LYS B 35 -3.189 8.218 -20.778 1.00 22.34 H new ATOM 0 HZ2 LYS B 35 -2.654 6.820 -19.975 1.00 22.34 H new ATOM 0 HZ3 LYS B 35 -2.152 7.130 -21.568 1.00 22.34 H new ATOM 999 N GLN B 36 -5.784 7.507 -18.437 1.00 61.32 N ATOM 1000 CA GLN B 36 -5.660 8.906 -18.804 1.00 54.15 C ATOM 1001 C GLN B 36 -5.519 9.047 -20.321 1.00 52.43 C ATOM 1002 O GLN B 36 -4.437 9.348 -20.822 1.00 72.14 O ATOM 1003 CB GLN B 36 -4.481 9.561 -18.081 1.00 53.20 C ATOM 1004 CG GLN B 36 -4.473 9.189 -16.597 1.00 32.21 C ATOM 1005 CD GLN B 36 -5.591 9.915 -15.844 1.00 2.21 C ATOM 1006 OE1 GLN B 36 -5.459 11.059 -15.439 1.00 73.14 O ATOM 1007 NE2 GLN B 36 -6.692 9.190 -15.679 1.00 73.25 N ATOM 0 H GLN B 36 -4.963 7.112 -17.978 1.00 61.32 H new ATOM 0 HA GLN B 36 -6.567 9.424 -18.493 1.00 54.15 H new ATOM 0 HB2 GLN B 36 -3.546 9.246 -18.544 1.00 53.20 H new ATOM 0 HB3 GLN B 36 -4.541 10.644 -18.188 1.00 53.20 H new ATOM 0 HG2 GLN B 36 -4.596 8.111 -16.488 1.00 32.21 H new ATOM 0 HG3 GLN B 36 -3.508 9.446 -16.159 1.00 32.21 H new ATOM 0 HE21 GLN B 36 -6.735 8.238 -16.043 1.00 73.25 H new ATOM 0 HE22 GLN B 36 -7.494 9.585 -15.188 1.00 73.25 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.824 -9.615 -15.068 1.00 72.44 ZN HETATM 1018 ZN ZN B 37 -10.681 2.766 -7.790 1.00 51.41 ZN