USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 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+ -121:sc= -1.53 (180deg=-6.27!) USER MOD Single : A 2 ASN : amide:sc= -9.12! C(o=-9.1!,f=-12!) USER MOD Single : A 7 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -8.11! C(o=-8.1!,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -146:sc= 0.688 USER MOD Single : A 33 MET CE :methyl -115:sc= -7.1! (180deg=-8.84!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.822 F(o=-1.9!,f=-0.82) USER MOD Single : B 1 ALA N :NH3+ -119:sc= -4.64! (180deg=-5.01!) USER MOD Single : B 2 ASN : amide:sc= -0.429 K(o=-0.43,f=-3!) 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 :FLIP amide:sc= -5.37! C(o=-6!,f=-5.4!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -132:sc= -0.601 (180deg=-1.74) USER MOD Single : B 35 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.16) USER MOD Single : B 36 GLN :FLIP amide:sc= -1.07 F(o=-1.9!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.212 2.086 -2.019 1.00 13.13 N ATOM 2 CA ALA A 1 0.863 1.357 -1.370 1.00 32.54 C ATOM 3 C ALA A 1 2.128 2.217 -1.365 1.00 4.22 C ATOM 4 O ALA A 1 3.079 1.934 -2.092 1.00 31.23 O ATOM 5 CB ALA A 1 1.072 0.016 -2.078 1.00 44.32 C ATOM 0 H1 ALA A 1 -1.006 2.198 -1.356 1.00 13.13 H new ATOM 0 H2 ALA A 1 0.131 3.024 -2.310 1.00 13.13 H new ATOM 0 H3 ALA A 1 -0.532 1.559 -2.857 1.00 13.13 H new ATOM 0 HA ALA A 1 0.608 1.141 -0.333 1.00 32.54 H new ATOM 0 HB1 ALA A 1 1.879 -0.531 -1.591 1.00 44.32 H new ATOM 0 HB2 ALA A 1 0.154 -0.570 -2.027 1.00 44.32 H new ATOM 0 HB3 ALA A 1 1.332 0.192 -3.122 1.00 44.32 H new ATOM 11 N ASN A 2 2.098 3.252 -0.538 1.00 71.24 N ATOM 12 CA ASN A 2 3.230 4.156 -0.429 1.00 42.31 C ATOM 13 C ASN A 2 3.785 4.441 -1.826 1.00 44.33 C ATOM 14 O ASN A 2 4.633 3.702 -2.324 1.00 62.42 O ATOM 15 CB ASN A 2 4.351 3.537 0.408 1.00 45.14 C ATOM 16 CG ASN A 2 4.595 2.081 0.005 1.00 5.34 C ATOM 17 OD1 ASN A 2 5.438 1.772 -0.821 1.00 61.52 O ATOM 18 ND2 ASN A 2 3.814 1.208 0.635 1.00 63.43 N ATOM 0 H ASN A 2 1.307 3.484 0.063 1.00 71.24 H new ATOM 0 HA ASN A 2 2.885 5.072 0.051 1.00 42.31 H new ATOM 0 HB2 ASN A 2 5.267 4.113 0.278 1.00 45.14 H new ATOM 0 HB3 ASN A 2 4.091 3.587 1.465 1.00 45.14 H new ATOM 0 HD21 ASN A 2 3.901 0.211 0.438 1.00 63.43 H new ATOM 0 HD22 ASN A 2 3.128 1.535 1.316 1.00 63.43 H new ATOM 25 N GLU A 3 3.285 5.515 -2.420 1.00 11.42 N ATOM 26 CA GLU A 3 3.720 5.908 -3.749 1.00 60.54 C ATOM 27 C GLU A 3 5.205 5.593 -3.936 1.00 62.42 C ATOM 28 O GLU A 3 5.992 5.718 -2.999 1.00 22.42 O ATOM 29 CB GLU A 3 3.437 7.389 -4.005 1.00 30.33 C ATOM 30 CG GLU A 3 4.154 7.875 -5.266 1.00 74.53 C ATOM 31 CD GLU A 3 4.122 9.402 -5.361 1.00 20.23 C ATOM 32 OE1 GLU A 3 3.993 10.083 -4.334 1.00 13.41 O ATOM 33 OE2 GLU A 3 4.238 9.876 -6.554 1.00 44.35 O ATOM 0 H GLU A 3 2.582 6.126 -2.004 1.00 11.42 H new ATOM 0 HA GLU A 3 3.151 5.333 -4.480 1.00 60.54 H new ATOM 0 HB2 GLU A 3 2.363 7.545 -4.110 1.00 30.33 H new ATOM 0 HB3 GLU A 3 3.762 7.978 -3.148 1.00 30.33 H new ATOM 0 HG2 GLU A 3 5.188 7.529 -5.257 1.00 74.53 H new ATOM 0 HG3 GLU A 3 3.681 7.442 -6.147 1.00 74.53 H new ATOM 40 N GLY A 4 5.544 5.191 -5.152 1.00 70.51 N ATOM 41 CA GLY A 4 6.921 4.857 -5.473 1.00 1.31 C ATOM 42 C GLY A 4 7.127 3.341 -5.502 1.00 33.41 C ATOM 43 O GLY A 4 8.215 2.864 -5.820 1.00 43.12 O ATOM 0 H GLY A 4 4.889 5.089 -5.927 1.00 70.51 H new ATOM 0 HA2 GLY A 4 7.185 5.282 -6.441 1.00 1.31 H new ATOM 0 HA3 GLY A 4 7.588 5.304 -4.736 1.00 1.31 H new ATOM 47 N ASP A 5 6.063 2.626 -5.166 1.00 4.01 N ATOM 48 CA ASP A 5 6.113 1.174 -5.149 1.00 52.11 C ATOM 49 C ASP A 5 5.683 0.638 -6.516 1.00 65.14 C ATOM 50 O ASP A 5 4.929 1.292 -7.235 1.00 3.24 O ATOM 51 CB ASP A 5 5.160 0.603 -4.097 1.00 23.55 C ATOM 52 CG ASP A 5 5.825 0.171 -2.789 1.00 12.44 C ATOM 53 OD1 ASP A 5 7.017 0.429 -2.562 1.00 74.23 O ATOM 54 OD2 ASP A 5 5.057 -0.463 -1.969 1.00 31.23 O ATOM 0 H ASP A 5 5.162 3.025 -4.904 1.00 4.01 H new ATOM 0 HA ASP A 5 7.134 0.874 -4.912 1.00 52.11 H new ATOM 0 HB2 ASP A 5 4.401 1.352 -3.871 1.00 23.55 H new ATOM 0 HB3 ASP A 5 4.643 -0.256 -4.525 1.00 23.55 H new ATOM 59 N VAL A 6 6.182 -0.548 -6.834 1.00 23.12 N ATOM 60 CA VAL A 6 5.859 -1.180 -8.103 1.00 3.42 C ATOM 61 C VAL A 6 5.189 -2.529 -7.839 1.00 32.25 C ATOM 62 O VAL A 6 5.593 -3.263 -6.938 1.00 1.10 O ATOM 63 CB VAL A 6 7.119 -1.296 -8.964 1.00 14.53 C ATOM 64 CG1 VAL A 6 6.990 -2.442 -9.971 1.00 4.45 C ATOM 65 CG2 VAL A 6 7.422 0.025 -9.673 1.00 4.34 C ATOM 0 H VAL A 6 6.807 -1.088 -6.235 1.00 23.12 H new ATOM 0 HA VAL A 6 5.152 -0.570 -8.665 1.00 3.42 H new ATOM 0 HB VAL A 6 7.957 -1.521 -8.304 1.00 14.53 H new ATOM 0 HG11 VAL A 6 7.898 -2.503 -10.571 1.00 4.45 H new ATOM 0 HG12 VAL A 6 6.844 -3.381 -9.437 1.00 4.45 H new ATOM 0 HG13 VAL A 6 6.136 -2.259 -10.623 1.00 4.45 H new ATOM 0 HG21 VAL A 6 8.322 -0.085 -10.278 1.00 4.34 H new ATOM 0 HG22 VAL A 6 6.584 0.294 -10.315 1.00 4.34 H new ATOM 0 HG23 VAL A 6 7.577 0.809 -8.931 1.00 4.34 H new ATOM 75 N TYR A 7 4.175 -2.817 -8.642 1.00 14.43 N ATOM 76 CA TYR A 7 3.444 -4.065 -8.507 1.00 43.35 C ATOM 77 C TYR A 7 3.436 -4.841 -9.826 1.00 12.05 C ATOM 78 O TYR A 7 3.230 -4.261 -10.890 1.00 51.53 O ATOM 79 CB TYR A 7 2.008 -3.677 -8.149 1.00 71.24 C ATOM 80 CG TYR A 7 1.796 -3.377 -6.664 1.00 43.50 C ATOM 81 CD1 TYR A 7 2.449 -2.312 -6.076 1.00 30.34 C ATOM 82 CD2 TYR A 7 0.953 -4.170 -5.912 1.00 42.44 C ATOM 83 CE1 TYR A 7 2.249 -2.029 -4.677 1.00 62.44 C ATOM 84 CE2 TYR A 7 0.755 -3.886 -4.515 1.00 34.42 C ATOM 85 CZ TYR A 7 1.412 -2.830 -3.966 1.00 62.50 C ATOM 86 OH TYR A 7 1.224 -2.564 -2.646 1.00 61.23 O ATOM 0 H TYR A 7 3.843 -2.207 -9.389 1.00 14.43 H new ATOM 0 HA TYR A 7 3.906 -4.700 -7.751 1.00 43.35 H new ATOM 0 HB2 TYR A 7 1.724 -2.800 -8.730 1.00 71.24 H new ATOM 0 HB3 TYR A 7 1.340 -4.486 -8.445 1.00 71.24 H new ATOM 0 HD1 TYR A 7 3.109 -1.692 -6.664 1.00 30.34 H new ATOM 0 HD2 TYR A 7 0.442 -5.003 -6.372 1.00 42.44 H new ATOM 0 HE1 TYR A 7 2.753 -1.199 -4.204 1.00 62.44 H new ATOM 0 HE2 TYR A 7 0.098 -4.499 -3.915 1.00 34.42 H new ATOM 0 HH TYR A 7 0.600 -3.217 -2.266 1.00 61.23 H new ATOM 96 N LYS A 8 3.663 -6.141 -9.711 1.00 71.32 N ATOM 97 CA LYS A 8 3.684 -7.003 -10.882 1.00 10.22 C ATOM 98 C LYS A 8 2.659 -8.125 -10.702 1.00 50.33 C ATOM 99 O LYS A 8 2.552 -8.706 -9.623 1.00 40.45 O ATOM 100 CB LYS A 8 5.104 -7.505 -11.151 1.00 55.52 C ATOM 101 CG LYS A 8 5.146 -8.386 -12.402 1.00 20.12 C ATOM 102 CD LYS A 8 6.586 -8.747 -12.770 1.00 4.15 C ATOM 103 CE LYS A 8 6.634 -9.568 -14.060 1.00 53.43 C ATOM 104 NZ LYS A 8 7.809 -9.186 -14.875 1.00 32.22 N ATOM 0 H LYS A 8 3.834 -6.619 -8.826 1.00 71.32 H new ATOM 0 HA LYS A 8 3.393 -6.445 -11.772 1.00 10.22 H new ATOM 0 HB2 LYS A 8 5.776 -6.656 -11.277 1.00 55.52 H new ATOM 0 HB3 LYS A 8 5.463 -8.071 -10.291 1.00 55.52 H new ATOM 0 HG2 LYS A 8 4.572 -9.296 -12.230 1.00 20.12 H new ATOM 0 HG3 LYS A 8 4.674 -7.864 -13.235 1.00 20.12 H new ATOM 0 HD2 LYS A 8 7.173 -7.837 -12.892 1.00 4.15 H new ATOM 0 HD3 LYS A 8 7.042 -9.313 -11.958 1.00 4.15 H new ATOM 0 HE2 LYS A 8 6.680 -10.630 -13.820 1.00 53.43 H new ATOM 0 HE3 LYS A 8 5.720 -9.410 -14.633 1.00 53.43 H new ATOM 0 HZ1 LYS A 8 7.826 -9.753 -15.747 1.00 32.22 H new ATOM 0 HZ2 LYS A 8 7.749 -8.177 -15.119 1.00 32.22 H new ATOM 0 HZ3 LYS A 8 8.679 -9.359 -14.332 1.00 32.22 H new ATOM 117 N CYS A 9 1.931 -8.395 -11.776 1.00 44.10 N ATOM 118 CA CYS A 9 0.919 -9.437 -11.751 1.00 42.24 C ATOM 119 C CYS A 9 1.626 -10.793 -11.724 1.00 72.11 C ATOM 120 O CYS A 9 2.745 -10.924 -12.217 1.00 2.25 O ATOM 121 CB CYS A 9 -0.043 -9.318 -12.935 1.00 33.31 C ATOM 122 SG CYS A 9 -1.459 -10.480 -12.892 1.00 43.14 S ATOM 0 H CYS A 9 2.022 -7.910 -12.669 1.00 44.10 H new ATOM 0 HA CYS A 9 0.306 -9.331 -10.856 1.00 42.24 H new ATOM 0 HB2 CYS A 9 -0.428 -8.299 -12.972 1.00 33.31 H new ATOM 0 HB3 CYS A 9 0.515 -9.481 -13.857 1.00 33.31 H new ATOM 127 N GLU A 10 0.943 -11.769 -11.143 1.00 24.01 N ATOM 128 CA GLU A 10 1.491 -13.110 -11.045 1.00 25.25 C ATOM 129 C GLU A 10 0.808 -14.039 -12.051 1.00 1.14 C ATOM 130 O GLU A 10 0.916 -15.259 -11.947 1.00 61.15 O ATOM 131 CB GLU A 10 1.360 -13.654 -9.621 1.00 13.10 C ATOM 132 CG GLU A 10 2.497 -13.145 -8.732 1.00 71.43 C ATOM 133 CD GLU A 10 3.830 -13.784 -9.129 1.00 23.41 C ATOM 134 OE1 GLU A 10 3.954 -14.320 -10.240 1.00 60.14 O ATOM 135 OE2 GLU A 10 4.757 -13.709 -8.235 1.00 64.35 O ATOM 0 H GLU A 10 0.015 -11.657 -10.735 1.00 24.01 H new ATOM 0 HA GLU A 10 2.553 -13.064 -11.285 1.00 25.25 H new ATOM 0 HB2 GLU A 10 0.401 -13.352 -9.199 1.00 13.10 H new ATOM 0 HB3 GLU A 10 1.370 -14.744 -9.642 1.00 13.10 H new ATOM 0 HG2 GLU A 10 2.570 -12.061 -8.814 1.00 71.43 H new ATOM 0 HG3 GLU A 10 2.277 -13.371 -7.689 1.00 71.43 H new ATOM 142 N LEU A 11 0.118 -13.424 -13.001 1.00 23.32 N ATOM 143 CA LEU A 11 -0.583 -14.179 -14.025 1.00 33.41 C ATOM 144 C LEU A 11 -0.034 -13.798 -15.401 1.00 1.13 C ATOM 145 O LEU A 11 0.801 -14.509 -15.958 1.00 4.14 O ATOM 146 CB LEU A 11 -2.095 -13.986 -13.891 1.00 73.21 C ATOM 147 CG LEU A 11 -2.780 -14.798 -12.790 1.00 33.12 C ATOM 148 CD1 LEU A 11 -4.255 -15.036 -13.121 1.00 65.32 C ATOM 149 CD2 LEU A 11 -2.033 -16.107 -12.527 1.00 10.51 C ATOM 0 H LEU A 11 0.030 -12.411 -13.083 1.00 23.32 H new ATOM 0 HA LEU A 11 -0.408 -15.247 -13.897 1.00 33.41 H new ATOM 0 HB2 LEU A 11 -2.292 -12.929 -13.711 1.00 73.21 H new ATOM 0 HB3 LEU A 11 -2.559 -14.239 -14.844 1.00 73.21 H new ATOM 0 HG LEU A 11 -2.746 -14.218 -11.868 1.00 33.12 H new ATOM 0 HD11 LEU A 11 -4.718 -15.615 -12.322 1.00 65.32 H new ATOM 0 HD12 LEU A 11 -4.766 -14.078 -13.217 1.00 65.32 H new ATOM 0 HD13 LEU A 11 -4.333 -15.585 -14.060 1.00 65.32 H new ATOM 0 HD21 LEU A 11 -2.541 -16.664 -11.740 1.00 10.51 H new ATOM 0 HD22 LEU A 11 -2.012 -16.704 -13.439 1.00 10.51 H new ATOM 0 HD23 LEU A 11 -1.012 -15.887 -12.214 1.00 10.51 H new ATOM 161 N CYS A 12 -0.525 -12.678 -15.908 1.00 4.31 N ATOM 162 CA CYS A 12 -0.093 -12.193 -17.209 1.00 30.24 C ATOM 163 C CYS A 12 1.373 -11.769 -17.101 1.00 30.35 C ATOM 164 O CYS A 12 2.213 -12.226 -17.874 1.00 24.12 O ATOM 165 CB CYS A 12 -0.981 -11.053 -17.711 1.00 61.30 C ATOM 166 SG CYS A 12 -1.381 -9.782 -16.456 1.00 42.30 S ATOM 0 H CYS A 12 -1.218 -12.092 -15.442 1.00 4.31 H new ATOM 0 HA CYS A 12 -0.186 -12.990 -17.946 1.00 30.24 H new ATOM 0 HB2 CYS A 12 -0.486 -10.569 -18.553 1.00 61.30 H new ATOM 0 HB3 CYS A 12 -1.912 -11.476 -18.089 1.00 61.30 H new ATOM 171 N GLY A 13 1.636 -10.900 -16.136 1.00 21.14 N ATOM 172 CA GLY A 13 2.986 -10.410 -15.917 1.00 34.31 C ATOM 173 C GLY A 13 3.059 -8.896 -16.121 1.00 13.30 C ATOM 174 O GLY A 13 4.116 -8.361 -16.452 1.00 50.11 O ATOM 0 H GLY A 13 0.937 -10.523 -15.497 1.00 21.14 H new ATOM 0 HA2 GLY A 13 3.308 -10.660 -14.906 1.00 34.31 H new ATOM 0 HA3 GLY A 13 3.673 -10.907 -16.603 1.00 34.31 H new ATOM 178 N GLN A 14 1.922 -8.247 -15.916 1.00 35.22 N ATOM 179 CA GLN A 14 1.844 -6.805 -16.073 1.00 71.13 C ATOM 180 C GLN A 14 2.478 -6.104 -14.871 1.00 44.11 C ATOM 181 O GLN A 14 2.273 -6.514 -13.730 1.00 32.22 O ATOM 182 CB GLN A 14 0.395 -6.352 -16.271 1.00 24.35 C ATOM 183 CG GLN A 14 0.300 -4.827 -16.330 1.00 4.33 C ATOM 184 CD GLN A 14 -0.779 -4.307 -15.378 1.00 12.50 C ATOM 185 OE1 GLN A 14 -0.503 -3.697 -14.359 1.00 11.42 O ATOM 186 NE2 GLN A 14 -2.021 -4.583 -15.768 1.00 11.24 N ATOM 0 H GLN A 14 1.047 -8.694 -15.642 1.00 35.22 H new ATOM 0 HA GLN A 14 2.403 -6.527 -16.967 1.00 71.13 H new ATOM 0 HB2 GLN A 14 -0.001 -6.780 -17.192 1.00 24.35 H new ATOM 0 HB3 GLN A 14 -0.222 -6.727 -15.454 1.00 24.35 H new ATOM 0 HG2 GLN A 14 1.263 -4.389 -16.068 1.00 4.33 H new ATOM 0 HG3 GLN A 14 0.073 -4.512 -17.349 1.00 4.33 H new ATOM 0 HE21 GLN A 14 -2.181 -5.098 -16.634 1.00 11.24 H new ATOM 0 HE22 GLN A 14 -2.813 -4.279 -15.201 1.00 11.24 H new ATOM 195 N VAL A 15 3.238 -5.059 -15.168 1.00 15.03 N ATOM 196 CA VAL A 15 3.904 -4.298 -14.125 1.00 73.42 C ATOM 197 C VAL A 15 3.380 -2.860 -14.135 1.00 74.40 C ATOM 198 O VAL A 15 3.192 -2.272 -15.199 1.00 5.44 O ATOM 199 CB VAL A 15 5.420 -4.382 -14.304 1.00 44.11 C ATOM 200 CG1 VAL A 15 6.148 -3.705 -13.141 1.00 64.23 C ATOM 201 CG2 VAL A 15 5.875 -5.834 -14.464 1.00 61.50 C ATOM 0 H VAL A 15 3.407 -4.722 -16.116 1.00 15.03 H new ATOM 0 HA VAL A 15 3.682 -4.718 -13.144 1.00 73.42 H new ATOM 0 HB VAL A 15 5.678 -3.848 -15.218 1.00 44.11 H new ATOM 0 HG11 VAL A 15 7.225 -3.779 -13.293 1.00 64.23 H new ATOM 0 HG12 VAL A 15 5.860 -2.655 -13.093 1.00 64.23 H new ATOM 0 HG13 VAL A 15 5.879 -4.198 -12.207 1.00 64.23 H new ATOM 0 HG21 VAL A 15 6.957 -5.864 -14.590 1.00 61.50 H new ATOM 0 HG22 VAL A 15 5.597 -6.402 -13.577 1.00 61.50 H new ATOM 0 HG23 VAL A 15 5.396 -6.271 -15.340 1.00 61.50 H new ATOM 211 N VAL A 16 3.157 -2.337 -12.938 1.00 73.14 N ATOM 212 CA VAL A 16 2.657 -0.981 -12.796 1.00 3.20 C ATOM 213 C VAL A 16 3.300 -0.332 -11.569 1.00 1.35 C ATOM 214 O VAL A 16 3.859 -1.021 -10.718 1.00 30.51 O ATOM 215 CB VAL A 16 1.129 -0.989 -12.736 1.00 12.30 C ATOM 216 CG1 VAL A 16 0.528 -1.325 -14.103 1.00 22.23 C ATOM 217 CG2 VAL A 16 0.627 -1.958 -11.663 1.00 65.14 C ATOM 0 H VAL A 16 3.314 -2.828 -12.058 1.00 73.14 H new ATOM 0 HA VAL A 16 2.931 -0.380 -13.663 1.00 3.20 H new ATOM 0 HB VAL A 16 0.800 0.013 -12.462 1.00 12.30 H new ATOM 0 HG11 VAL A 16 -0.560 -1.324 -14.032 1.00 22.23 H new ATOM 0 HG12 VAL A 16 0.845 -0.580 -14.833 1.00 22.23 H new ATOM 0 HG13 VAL A 16 0.870 -2.311 -14.419 1.00 22.23 H new ATOM 0 HG21 VAL A 16 -0.463 -1.944 -11.641 1.00 65.14 H new ATOM 0 HG22 VAL A 16 0.973 -2.966 -11.893 1.00 65.14 H new ATOM 0 HG23 VAL A 16 1.013 -1.655 -10.690 1.00 65.14 H new ATOM 227 N LYS A 17 3.200 0.989 -11.516 1.00 60.51 N ATOM 228 CA LYS A 17 3.764 1.738 -10.407 1.00 10.30 C ATOM 229 C LYS A 17 2.634 2.400 -9.615 1.00 51.25 C ATOM 230 O LYS A 17 1.511 2.511 -10.105 1.00 70.12 O ATOM 231 CB LYS A 17 4.821 2.724 -10.910 1.00 31.41 C ATOM 232 CG LYS A 17 5.446 3.499 -9.747 1.00 72.50 C ATOM 233 CD LYS A 17 6.485 4.501 -10.252 1.00 3.34 C ATOM 234 CE LYS A 17 7.905 3.963 -10.061 1.00 52.05 C ATOM 235 NZ LYS A 17 8.716 4.911 -9.264 1.00 70.35 N ATOM 0 H LYS A 17 2.737 1.559 -12.224 1.00 60.51 H new ATOM 0 HA LYS A 17 4.284 1.069 -9.721 1.00 10.30 H new ATOM 0 HB2 LYS A 17 5.598 2.185 -11.452 1.00 31.41 H new ATOM 0 HB3 LYS A 17 4.367 3.421 -11.614 1.00 31.41 H new ATOM 0 HG2 LYS A 17 4.667 4.025 -9.195 1.00 72.50 H new ATOM 0 HG3 LYS A 17 5.915 2.803 -9.052 1.00 72.50 H new ATOM 0 HD2 LYS A 17 6.311 4.710 -11.307 1.00 3.34 H new ATOM 0 HD3 LYS A 17 6.375 5.445 -9.718 1.00 3.34 H new ATOM 0 HE2 LYS A 17 7.869 2.996 -9.560 1.00 52.05 H new ATOM 0 HE3 LYS A 17 8.373 3.802 -11.032 1.00 52.05 H new ATOM 0 HZ1 LYS A 17 9.676 4.531 -9.144 1.00 70.35 H new ATOM 0 HZ2 LYS A 17 8.765 5.826 -9.757 1.00 70.35 H new ATOM 0 HZ3 LYS A 17 8.277 5.044 -8.331 1.00 70.35 H new ATOM 248 N VAL A 18 2.970 2.822 -8.406 1.00 50.10 N ATOM 249 CA VAL A 18 1.996 3.470 -7.542 1.00 62.53 C ATOM 250 C VAL A 18 2.295 4.969 -7.479 1.00 13.12 C ATOM 251 O VAL A 18 3.026 5.424 -6.601 1.00 70.43 O ATOM 252 CB VAL A 18 1.994 2.802 -6.165 1.00 54.21 C ATOM 253 CG1 VAL A 18 1.102 3.570 -5.187 1.00 31.42 C ATOM 254 CG2 VAL A 18 1.562 1.337 -6.266 1.00 43.44 C ATOM 0 H VAL A 18 3.902 2.729 -8.003 1.00 50.10 H new ATOM 0 HA VAL A 18 0.990 3.356 -7.946 1.00 62.53 H new ATOM 0 HB VAL A 18 3.013 2.824 -5.780 1.00 54.21 H new ATOM 0 HG11 VAL A 18 1.117 3.076 -4.216 1.00 31.42 H new ATOM 0 HG12 VAL A 18 1.472 4.590 -5.081 1.00 31.42 H new ATOM 0 HG13 VAL A 18 0.081 3.592 -5.567 1.00 31.42 H new ATOM 0 HG21 VAL A 18 1.569 0.886 -5.274 1.00 43.44 H new ATOM 0 HG22 VAL A 18 0.556 1.282 -6.682 1.00 43.44 H new ATOM 0 HG23 VAL A 18 2.253 0.798 -6.914 1.00 43.44 H new ATOM 264 N LEU A 19 1.713 5.695 -8.422 1.00 34.11 N ATOM 265 CA LEU A 19 1.906 7.134 -8.485 1.00 42.02 C ATOM 266 C LEU A 19 1.203 7.791 -7.296 1.00 1.40 C ATOM 267 O LEU A 19 1.751 8.697 -6.670 1.00 31.15 O ATOM 268 CB LEU A 19 1.456 7.677 -9.843 1.00 23.04 C ATOM 269 CG LEU A 19 2.555 8.276 -10.723 1.00 51.14 C ATOM 270 CD1 LEU A 19 2.998 7.282 -11.798 1.00 70.01 C ATOM 271 CD2 LEU A 19 2.108 9.610 -11.324 1.00 45.31 C ATOM 0 H LEU A 19 1.107 5.314 -9.149 1.00 34.11 H new ATOM 0 HA LEU A 19 2.965 7.380 -8.405 1.00 42.02 H new ATOM 0 HB2 LEU A 19 0.977 6.868 -10.395 1.00 23.04 H new ATOM 0 HB3 LEU A 19 0.697 8.441 -9.673 1.00 23.04 H new ATOM 0 HG LEU A 19 3.423 8.480 -10.096 1.00 51.14 H new ATOM 0 HD11 LEU A 19 3.780 7.732 -12.410 1.00 70.01 H new ATOM 0 HD12 LEU A 19 3.383 6.380 -11.323 1.00 70.01 H new ATOM 0 HD13 LEU A 19 2.147 7.025 -12.428 1.00 70.01 H new ATOM 0 HD21 LEU A 19 2.907 10.015 -11.945 1.00 45.31 H new ATOM 0 HD22 LEU A 19 1.218 9.454 -11.933 1.00 45.31 H new ATOM 0 HD23 LEU A 19 1.880 10.312 -10.522 1.00 45.31 H new ATOM 283 N GLU A 20 0.000 7.310 -7.021 1.00 34.33 N ATOM 284 CA GLU A 20 -0.784 7.840 -5.918 1.00 22.41 C ATOM 285 C GLU A 20 -1.474 6.702 -5.162 1.00 23.44 C ATOM 286 O GLU A 20 -2.169 5.884 -5.763 1.00 31.05 O ATOM 287 CB GLU A 20 -1.805 8.865 -6.414 1.00 11.51 C ATOM 288 CG GLU A 20 -2.880 9.125 -5.357 1.00 10.24 C ATOM 289 CD GLU A 20 -2.287 9.828 -4.133 1.00 50.23 C ATOM 290 OE1 GLU A 20 -1.063 9.807 -3.938 1.00 51.35 O ATOM 291 OE2 GLU A 20 -3.148 10.412 -3.370 1.00 41.31 O ATOM 0 H GLU A 20 -0.451 6.559 -7.543 1.00 34.33 H new ATOM 0 HA GLU A 20 -0.109 8.351 -5.231 1.00 22.41 H new ATOM 0 HB2 GLU A 20 -1.298 9.798 -6.660 1.00 11.51 H new ATOM 0 HB3 GLU A 20 -2.271 8.505 -7.331 1.00 11.51 H new ATOM 0 HG2 GLU A 20 -3.674 9.738 -5.784 1.00 10.24 H new ATOM 0 HG3 GLU A 20 -3.334 8.181 -5.055 1.00 10.24 H new ATOM 298 N GLU A 21 -1.257 6.685 -3.855 1.00 13.43 N ATOM 299 CA GLU A 21 -1.849 5.661 -3.011 1.00 23.22 C ATOM 300 C GLU A 21 -3.338 5.510 -3.324 1.00 51.35 C ATOM 301 O GLU A 21 -3.967 6.438 -3.831 1.00 11.23 O ATOM 302 CB GLU A 21 -1.630 5.978 -1.530 1.00 23.14 C ATOM 303 CG GLU A 21 -0.690 4.957 -0.885 1.00 21.33 C ATOM 304 CD GLU A 21 -0.326 5.372 0.543 1.00 51.33 C ATOM 305 OE1 GLU A 21 0.458 6.314 0.733 1.00 12.45 O ATOM 306 OE2 GLU A 21 -0.891 4.680 1.473 1.00 65.43 O ATOM 0 H GLU A 21 -0.679 7.364 -3.360 1.00 13.43 H new ATOM 0 HA GLU A 21 -1.355 4.713 -3.224 1.00 23.22 H new ATOM 0 HB2 GLU A 21 -1.212 6.979 -1.427 1.00 23.14 H new ATOM 0 HB3 GLU A 21 -2.587 5.977 -1.009 1.00 23.14 H new ATOM 0 HG2 GLU A 21 -1.166 3.976 -0.872 1.00 21.33 H new ATOM 0 HG3 GLU A 21 0.217 4.864 -1.483 1.00 21.33 H new ATOM 313 N GLY A 22 -3.860 4.333 -3.012 1.00 54.11 N ATOM 314 CA GLY A 22 -5.264 4.048 -3.255 1.00 3.20 C ATOM 315 C GLY A 22 -5.959 3.585 -1.973 1.00 52.21 C ATOM 316 O GLY A 22 -5.404 3.710 -0.883 1.00 33.53 O ATOM 0 H GLY A 22 -3.336 3.565 -2.593 1.00 54.11 H new ATOM 0 HA2 GLY A 22 -5.759 4.940 -3.639 1.00 3.20 H new ATOM 0 HA3 GLY A 22 -5.355 3.278 -4.021 1.00 3.20 H new ATOM 320 N GLY A 23 -7.164 3.063 -2.147 1.00 31.23 N ATOM 321 CA GLY A 23 -7.941 2.581 -1.017 1.00 21.35 C ATOM 322 C GLY A 23 -8.132 1.064 -1.090 1.00 5.22 C ATOM 323 O GLY A 23 -7.912 0.360 -0.106 1.00 15.45 O ATOM 0 H GLY A 23 -7.622 2.963 -3.053 1.00 31.23 H new ATOM 0 HA2 GLY A 23 -7.438 2.843 -0.087 1.00 21.35 H new ATOM 0 HA3 GLY A 23 -8.913 3.073 -1.003 1.00 21.35 H new ATOM 327 N GLY A 24 -8.537 0.607 -2.265 1.00 21.31 N ATOM 328 CA GLY A 24 -8.760 -0.813 -2.478 1.00 52.43 C ATOM 329 C GLY A 24 -7.484 -1.501 -2.964 1.00 63.11 C ATOM 330 O GLY A 24 -6.418 -0.886 -3.002 1.00 32.53 O ATOM 0 H GLY A 24 -8.717 1.194 -3.079 1.00 21.31 H new ATOM 0 HA2 GLY A 24 -9.096 -1.275 -1.550 1.00 52.43 H new ATOM 0 HA3 GLY A 24 -9.555 -0.954 -3.210 1.00 52.43 H new ATOM 334 N THR A 25 -7.632 -2.768 -3.324 1.00 53.44 N ATOM 335 CA THR A 25 -6.504 -3.546 -3.807 1.00 22.23 C ATOM 336 C THR A 25 -6.485 -3.568 -5.336 1.00 41.14 C ATOM 337 O THR A 25 -7.534 -3.486 -5.974 1.00 42.34 O ATOM 338 CB THR A 25 -6.588 -4.939 -3.179 1.00 52.43 C ATOM 339 OG1 THR A 25 -5.331 -5.534 -3.486 1.00 24.25 O ATOM 340 CG2 THR A 25 -7.606 -5.838 -3.884 1.00 52.41 C ATOM 0 H THR A 25 -8.516 -3.275 -3.291 1.00 53.44 H new ATOM 0 HA THR A 25 -5.557 -3.096 -3.510 1.00 22.23 H new ATOM 0 HB THR A 25 -6.852 -4.847 -2.125 1.00 52.43 H new ATOM 0 HG1 THR A 25 -5.451 -6.496 -3.632 1.00 24.25 H new ATOM 0 HG21 THR A 25 -7.626 -6.814 -3.400 1.00 52.41 H new ATOM 0 HG22 THR A 25 -8.595 -5.383 -3.826 1.00 52.41 H new ATOM 0 HG23 THR A 25 -7.323 -5.958 -4.930 1.00 52.41 H new ATOM 348 N LEU A 26 -5.283 -3.679 -5.880 1.00 65.33 N ATOM 349 CA LEU A 26 -5.114 -3.714 -7.323 1.00 54.43 C ATOM 350 C LEU A 26 -5.349 -5.139 -7.826 1.00 25.40 C ATOM 351 O LEU A 26 -4.628 -6.062 -7.447 1.00 55.34 O ATOM 352 CB LEU A 26 -3.752 -3.139 -7.717 1.00 62.05 C ATOM 353 CG LEU A 26 -3.434 -1.741 -7.183 1.00 53.10 C ATOM 354 CD1 LEU A 26 -2.050 -1.279 -7.646 1.00 75.22 C ATOM 355 CD2 LEU A 26 -4.529 -0.745 -7.569 1.00 44.33 C ATOM 0 H LEU A 26 -4.416 -3.746 -5.347 1.00 65.33 H new ATOM 0 HA LEU A 26 -5.855 -3.079 -7.809 1.00 54.43 H new ATOM 0 HB2 LEU A 26 -2.977 -3.823 -7.371 1.00 62.05 H new ATOM 0 HB3 LEU A 26 -3.692 -3.113 -8.805 1.00 62.05 H new ATOM 0 HG LEU A 26 -3.410 -1.788 -6.094 1.00 53.10 H new ATOM 0 HD11 LEU A 26 -1.849 -0.283 -7.253 1.00 75.22 H new ATOM 0 HD12 LEU A 26 -1.293 -1.973 -7.280 1.00 75.22 H new ATOM 0 HD13 LEU A 26 -2.021 -1.252 -8.735 1.00 75.22 H new ATOM 0 HD21 LEU A 26 -4.279 0.241 -7.177 1.00 44.33 H new ATOM 0 HD22 LEU A 26 -4.609 -0.695 -8.655 1.00 44.33 H new ATOM 0 HD23 LEU A 26 -5.481 -1.071 -7.150 1.00 44.33 H new ATOM 367 N VAL A 27 -6.360 -5.275 -8.672 1.00 25.13 N ATOM 368 CA VAL A 27 -6.699 -6.573 -9.231 1.00 63.20 C ATOM 369 C VAL A 27 -6.344 -6.591 -10.719 1.00 4.11 C ATOM 370 O VAL A 27 -6.545 -5.600 -11.420 1.00 21.41 O ATOM 371 CB VAL A 27 -8.171 -6.890 -8.963 1.00 40.41 C ATOM 372 CG1 VAL A 27 -8.632 -8.093 -9.787 1.00 23.45 C ATOM 373 CG2 VAL A 27 -8.420 -7.118 -7.471 1.00 53.31 C ATOM 0 H VAL A 27 -6.955 -4.508 -8.984 1.00 25.13 H new ATOM 0 HA VAL A 27 -6.119 -7.360 -8.749 1.00 63.20 H new ATOM 0 HB VAL A 27 -8.761 -6.027 -9.272 1.00 40.41 H new ATOM 0 HG11 VAL A 27 -9.682 -8.297 -9.577 1.00 23.45 H new ATOM 0 HG12 VAL A 27 -8.509 -7.876 -10.848 1.00 23.45 H new ATOM 0 HG13 VAL A 27 -8.034 -8.965 -9.524 1.00 23.45 H new ATOM 0 HG21 VAL A 27 -9.474 -7.342 -7.308 1.00 53.31 H new ATOM 0 HG22 VAL A 27 -7.814 -7.955 -7.125 1.00 53.31 H new ATOM 0 HG23 VAL A 27 -8.149 -6.220 -6.916 1.00 53.31 H new ATOM 383 N CYS A 28 -5.824 -7.728 -11.157 1.00 62.22 N ATOM 384 CA CYS A 28 -5.440 -7.887 -12.550 1.00 24.14 C ATOM 385 C CYS A 28 -5.826 -9.299 -12.995 1.00 23.33 C ATOM 386 O CYS A 28 -5.554 -10.272 -12.293 1.00 44.22 O ATOM 387 CB CYS A 28 -3.950 -7.610 -12.761 1.00 4.43 C ATOM 388 SG CYS A 28 -3.390 -7.714 -14.499 1.00 44.54 S ATOM 0 H CYS A 28 -5.660 -8.548 -10.573 1.00 62.22 H new ATOM 0 HA CYS A 28 -5.969 -7.156 -13.162 1.00 24.14 H new ATOM 0 HB2 CYS A 28 -3.722 -6.615 -12.379 1.00 4.43 H new ATOM 0 HB3 CYS A 28 -3.375 -8.319 -12.166 1.00 4.43 H new ATOM 393 N CYS A 29 -6.455 -9.367 -14.159 1.00 41.33 N ATOM 394 CA CYS A 29 -6.881 -10.643 -14.707 1.00 4.31 C ATOM 395 C CYS A 29 -7.417 -11.502 -13.561 1.00 72.21 C ATOM 396 O CYS A 29 -6.727 -12.397 -13.076 1.00 10.24 O ATOM 397 CB CYS A 29 -5.747 -11.342 -15.462 1.00 10.41 C ATOM 398 SG CYS A 29 -4.219 -11.595 -14.488 1.00 42.04 S ATOM 0 H CYS A 29 -6.680 -8.558 -14.738 1.00 41.33 H new ATOM 0 HA CYS A 29 -7.671 -10.481 -15.440 1.00 4.31 H new ATOM 0 HB2 CYS A 29 -6.104 -12.311 -15.810 1.00 10.41 H new ATOM 0 HB3 CYS A 29 -5.504 -10.756 -16.348 1.00 10.41 H new ATOM 403 N GLY A 30 -8.645 -11.201 -13.162 1.00 2.12 N ATOM 404 CA GLY A 30 -9.281 -11.934 -12.082 1.00 72.42 C ATOM 405 C GLY A 30 -8.253 -12.384 -11.042 1.00 51.34 C ATOM 406 O GLY A 30 -8.318 -13.508 -10.546 1.00 2.40 O ATOM 0 H GLY A 30 -9.215 -10.459 -13.568 1.00 2.12 H new ATOM 0 HA2 GLY A 30 -10.034 -11.306 -11.606 1.00 72.42 H new ATOM 0 HA3 GLY A 30 -9.800 -12.804 -12.485 1.00 72.42 H new ATOM 410 N GLU A 31 -7.328 -11.484 -10.744 1.00 73.05 N ATOM 411 CA GLU A 31 -6.287 -11.774 -9.772 1.00 41.35 C ATOM 412 C GLU A 31 -5.949 -10.518 -8.967 1.00 22.21 C ATOM 413 O GLU A 31 -6.612 -9.491 -9.103 1.00 63.24 O ATOM 414 CB GLU A 31 -5.041 -12.338 -10.457 1.00 24.10 C ATOM 415 CG GLU A 31 -4.764 -13.772 -9.998 1.00 15.42 C ATOM 416 CD GLU A 31 -3.669 -13.803 -8.929 1.00 74.24 C ATOM 417 OE1 GLU A 31 -3.688 -12.984 -7.998 1.00 42.33 O ATOM 418 OE2 GLU A 31 -2.776 -14.720 -9.090 1.00 74.24 O ATOM 0 H GLU A 31 -7.277 -10.553 -11.158 1.00 73.05 H new ATOM 0 HA GLU A 31 -6.659 -12.533 -9.084 1.00 41.35 H new ATOM 0 HB2 GLU A 31 -5.176 -12.318 -11.538 1.00 24.10 H new ATOM 0 HB3 GLU A 31 -4.181 -11.708 -10.231 1.00 24.10 H new ATOM 0 HG2 GLU A 31 -5.678 -14.214 -9.601 1.00 15.42 H new ATOM 0 HG3 GLU A 31 -4.462 -14.379 -10.851 1.00 15.42 H new ATOM 425 N ASP A 32 -4.918 -10.642 -8.143 1.00 61.31 N ATOM 426 CA ASP A 32 -4.484 -9.531 -7.315 1.00 61.02 C ATOM 427 C ASP A 32 -2.993 -9.277 -7.550 1.00 52.20 C ATOM 428 O ASP A 32 -2.162 -10.139 -7.271 1.00 12.15 O ATOM 429 CB ASP A 32 -4.683 -9.840 -5.830 1.00 23.24 C ATOM 430 CG ASP A 32 -5.614 -8.880 -5.088 1.00 70.22 C ATOM 431 OD1 ASP A 32 -6.726 -8.624 -5.691 1.00 1.52 O ATOM 432 OD2 ASP A 32 -5.295 -8.402 -3.989 1.00 44.44 O ATOM 0 H ASP A 32 -4.371 -11.496 -8.032 1.00 61.31 H new ATOM 0 HA ASP A 32 -5.078 -8.658 -7.584 1.00 61.02 H new ATOM 0 HB2 ASP A 32 -5.078 -10.851 -5.735 1.00 23.24 H new ATOM 0 HB3 ASP A 32 -3.710 -9.830 -5.339 1.00 23.24 H new ATOM 437 N MET A 33 -2.701 -8.090 -8.061 1.00 14.33 N ATOM 438 CA MET A 33 -1.326 -7.711 -8.337 1.00 53.23 C ATOM 439 C MET A 33 -0.464 -7.824 -7.078 1.00 44.14 C ATOM 440 O MET A 33 -0.940 -7.575 -5.971 1.00 65.14 O ATOM 441 CB MET A 33 -1.287 -6.272 -8.856 1.00 72.44 C ATOM 442 CG MET A 33 -1.272 -6.242 -10.386 1.00 31.25 C ATOM 443 SD MET A 33 -0.417 -4.784 -10.960 1.00 24.34 S ATOM 444 CE MET A 33 -1.390 -3.519 -10.161 1.00 73.23 C ATOM 0 H MET A 33 -3.394 -7.378 -8.291 1.00 14.33 H new ATOM 0 HA MET A 33 -0.926 -8.389 -9.091 1.00 53.23 H new ATOM 0 HB2 MET A 33 -2.154 -5.725 -8.486 1.00 72.44 H new ATOM 0 HB3 MET A 33 -0.402 -5.766 -8.470 1.00 72.44 H new ATOM 0 HG2 MET A 33 -0.782 -7.136 -10.771 1.00 31.25 H new ATOM 0 HG3 MET A 33 -2.293 -6.249 -10.768 1.00 31.25 H new ATOM 0 HE1 MET A 33 -1.897 -2.918 -10.916 1.00 73.23 H new ATOM 0 HE2 MET A 33 -2.131 -3.986 -9.511 1.00 73.23 H new ATOM 0 HE3 MET A 33 -0.738 -2.879 -9.566 1.00 73.23 H new ATOM 454 N VAL A 34 0.790 -8.198 -7.290 1.00 53.20 N ATOM 455 CA VAL A 34 1.723 -8.346 -6.186 1.00 52.14 C ATOM 456 C VAL A 34 2.661 -7.138 -6.152 1.00 25.13 C ATOM 457 O VAL A 34 2.766 -6.401 -7.131 1.00 75.12 O ATOM 458 CB VAL A 34 2.466 -9.678 -6.304 1.00 41.25 C ATOM 459 CG1 VAL A 34 3.182 -10.025 -4.998 1.00 41.41 C ATOM 460 CG2 VAL A 34 1.515 -10.801 -6.724 1.00 50.10 C ATOM 0 H VAL A 34 1.181 -8.403 -8.210 1.00 53.20 H new ATOM 0 HA VAL A 34 1.190 -8.370 -5.235 1.00 52.14 H new ATOM 0 HB VAL A 34 3.222 -9.571 -7.081 1.00 41.25 H new ATOM 0 HG11 VAL A 34 3.702 -10.976 -5.110 1.00 41.41 H new ATOM 0 HG12 VAL A 34 3.903 -9.243 -4.760 1.00 41.41 H new ATOM 0 HG13 VAL A 34 2.452 -10.103 -4.192 1.00 41.41 H new ATOM 0 HG21 VAL A 34 2.068 -11.737 -6.801 1.00 50.10 H new ATOM 0 HG22 VAL A 34 0.725 -10.906 -5.980 1.00 50.10 H new ATOM 0 HG23 VAL A 34 1.073 -10.561 -7.691 1.00 50.10 H new ATOM 470 N LYS A 35 3.321 -6.974 -5.014 1.00 64.11 N ATOM 471 CA LYS A 35 4.248 -5.869 -4.840 1.00 43.45 C ATOM 472 C LYS A 35 5.682 -6.403 -4.865 1.00 13.44 C ATOM 473 O LYS A 35 5.999 -7.371 -4.177 1.00 22.01 O ATOM 474 CB LYS A 35 3.907 -5.078 -3.575 1.00 63.53 C ATOM 475 CG LYS A 35 4.957 -3.999 -3.304 1.00 3.11 C ATOM 476 CD LYS A 35 5.991 -4.483 -2.286 1.00 33.55 C ATOM 477 CE LYS A 35 6.923 -3.344 -1.867 1.00 24.13 C ATOM 478 NZ LYS A 35 6.734 -3.018 -0.436 1.00 62.20 N ATOM 0 H LYS A 35 3.232 -7.588 -4.204 1.00 64.11 H new ATOM 0 HA LYS A 35 4.157 -5.162 -5.664 1.00 43.45 H new ATOM 0 HB2 LYS A 35 2.926 -4.616 -3.684 1.00 63.53 H new ATOM 0 HB3 LYS A 35 3.848 -5.755 -2.723 1.00 63.53 H new ATOM 0 HG2 LYS A 35 5.456 -3.730 -4.235 1.00 3.11 H new ATOM 0 HG3 LYS A 35 4.470 -3.098 -2.932 1.00 3.11 H new ATOM 0 HD2 LYS A 35 5.483 -4.883 -1.409 1.00 33.55 H new ATOM 0 HD3 LYS A 35 6.576 -5.297 -2.715 1.00 33.55 H new ATOM 0 HE2 LYS A 35 7.959 -3.630 -2.047 1.00 24.13 H new ATOM 0 HE3 LYS A 35 6.725 -2.462 -2.476 1.00 24.13 H new ATOM 0 HZ1 LYS A 35 7.374 -2.243 -0.169 1.00 62.20 H new ATOM 0 HZ2 LYS A 35 5.749 -2.725 -0.274 1.00 62.20 H new ATOM 0 HZ3 LYS A 35 6.945 -3.856 0.142 1.00 62.20 H new ATOM 491 N GLN A 36 6.510 -5.746 -5.664 1.00 3.01 N ATOM 492 CA GLN A 36 7.902 -6.142 -5.787 1.00 61.12 C ATOM 493 C GLN A 36 8.668 -5.794 -4.509 1.00 52.21 C ATOM 494 O GLN A 36 8.368 -4.798 -3.852 1.00 40.23 O ATOM 495 CB GLN A 36 8.552 -5.491 -7.010 1.00 23.04 C ATOM 496 CG GLN A 36 7.615 -5.536 -8.218 1.00 32.41 C ATOM 497 CD GLN A 36 7.381 -6.977 -8.677 1.00 1.31 C ATOM 498 OE1 GLN A 36 6.257 -7.517 -8.214 1.00 35.55 O flip ATOM 499 NE2 GLN A 36 8.169 -7.559 -9.405 1.00 2.33 N flip ATOM 0 H GLN A 36 6.243 -4.942 -6.232 1.00 3.01 H new ATOM 0 HA GLN A 36 7.941 -7.222 -5.928 1.00 61.12 H new ATOM 0 HB2 GLN A 36 8.808 -4.456 -6.782 1.00 23.04 H new ATOM 0 HB3 GLN A 36 9.483 -6.005 -7.248 1.00 23.04 H new ATOM 0 HG2 GLN A 36 6.662 -5.073 -7.961 1.00 32.41 H new ATOM 0 HG3 GLN A 36 8.042 -4.955 -9.036 1.00 32.41 H new ATOM 0 HE21 GLN A 36 9.014 -7.085 -9.724 1.00 2.33 H new ATOM 0 HE22 GLN A 36 7.983 -8.519 -9.694 1.00 2.33 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -0.672 -2.340 -21.178 1.00 61.04 N ATOM 510 CA ALA B 1 -1.451 -1.160 -21.511 1.00 40.10 C ATOM 511 C ALA B 1 -0.512 -0.053 -21.993 1.00 71.43 C ATOM 512 O ALA B 1 -0.193 0.867 -21.242 1.00 34.15 O ATOM 513 CB ALA B 1 -2.278 -0.735 -20.295 1.00 64.03 C ATOM 0 H1 ALA B 1 -0.966 -3.133 -21.784 1.00 61.04 H new ATOM 0 H2 ALA B 1 0.338 -2.144 -21.331 1.00 61.04 H new ATOM 0 H3 ALA B 1 -0.829 -2.590 -20.181 1.00 61.04 H new ATOM 0 HA ALA B 1 -2.148 -1.376 -22.321 1.00 40.10 H new ATOM 0 HB1 ALA B 1 -2.863 0.150 -20.544 1.00 64.03 H new ATOM 0 HB2 ALA B 1 -2.949 -1.545 -20.010 1.00 64.03 H new ATOM 0 HB3 ALA B 1 -1.611 -0.507 -19.463 1.00 64.03 H new ATOM 519 N ASN B 2 -0.094 -0.179 -23.244 1.00 40.31 N ATOM 520 CA ASN B 2 0.802 0.800 -23.836 1.00 24.23 C ATOM 521 C ASN B 2 1.834 1.236 -22.793 1.00 35.34 C ATOM 522 O ASN B 2 1.609 2.196 -22.057 1.00 21.34 O ATOM 523 CB ASN B 2 0.038 2.043 -24.293 1.00 33.20 C ATOM 524 CG ASN B 2 -0.161 2.038 -25.810 1.00 24.20 C ATOM 525 OD1 ASN B 2 0.431 1.256 -26.537 1.00 4.23 O ATOM 526 ND2 ASN B 2 -1.022 2.952 -26.246 1.00 34.11 N ATOM 0 H ASN B 2 -0.359 -0.944 -23.864 1.00 40.31 H new ATOM 0 HA ASN B 2 1.284 0.338 -24.697 1.00 24.23 H new ATOM 0 HB2 ASN B 2 -0.931 2.082 -23.796 1.00 33.20 H new ATOM 0 HB3 ASN B 2 0.584 2.939 -23.997 1.00 33.20 H new ATOM 0 HD21 ASN B 2 -1.222 3.030 -27.243 1.00 34.11 H new ATOM 0 HD22 ASN B 2 -1.483 3.575 -25.583 1.00 34.11 H new ATOM 533 N GLU B 3 2.942 0.511 -22.762 1.00 52.15 N ATOM 534 CA GLU B 3 4.008 0.811 -21.822 1.00 14.00 C ATOM 535 C GLU B 3 4.236 2.322 -21.744 1.00 3.34 C ATOM 536 O GLU B 3 4.317 2.995 -22.769 1.00 44.20 O ATOM 537 CB GLU B 3 5.297 0.081 -22.203 1.00 52.14 C ATOM 538 CG GLU B 3 6.433 0.435 -21.241 1.00 53.04 C ATOM 539 CD GLU B 3 7.355 -0.765 -21.016 1.00 75.33 C ATOM 540 OE1 GLU B 3 6.920 -1.917 -21.164 1.00 60.55 O ATOM 541 OE2 GLU B 3 8.564 -0.468 -20.676 1.00 74.54 O ATOM 0 H GLU B 3 3.125 -0.285 -23.374 1.00 52.15 H new ATOM 0 HA GLU B 3 3.707 0.457 -20.836 1.00 14.00 H new ATOM 0 HB2 GLU B 3 5.127 -0.996 -22.190 1.00 52.14 H new ATOM 0 HB3 GLU B 3 5.582 0.346 -23.221 1.00 52.14 H new ATOM 0 HG2 GLU B 3 7.008 1.269 -21.643 1.00 53.04 H new ATOM 0 HG3 GLU B 3 6.018 0.763 -20.288 1.00 53.04 H new ATOM 548 N GLY B 4 4.333 2.810 -20.515 1.00 63.33 N ATOM 549 CA GLY B 4 4.550 4.229 -20.289 1.00 51.13 C ATOM 550 C GLY B 4 3.220 4.968 -20.128 1.00 1.41 C ATOM 551 O GLY B 4 3.183 6.198 -20.150 1.00 64.11 O ATOM 0 H GLY B 4 4.265 2.248 -19.666 1.00 63.33 H new ATOM 0 HA2 GLY B 4 5.159 4.370 -19.396 1.00 51.13 H new ATOM 0 HA3 GLY B 4 5.107 4.653 -21.125 1.00 51.13 H new ATOM 555 N ASP B 5 2.162 4.188 -19.968 1.00 21.10 N ATOM 556 CA ASP B 5 0.833 4.753 -19.803 1.00 42.12 C ATOM 557 C ASP B 5 0.507 4.850 -18.312 1.00 12.25 C ATOM 558 O ASP B 5 0.945 4.015 -17.522 1.00 12.15 O ATOM 559 CB ASP B 5 -0.227 3.870 -20.462 1.00 41.24 C ATOM 560 CG ASP B 5 -0.423 4.104 -21.961 1.00 65.25 C ATOM 561 OD1 ASP B 5 0.454 4.657 -22.642 1.00 13.54 O ATOM 562 OD2 ASP B 5 -1.547 3.685 -22.437 1.00 52.10 O ATOM 0 H ASP B 5 2.197 3.169 -19.949 1.00 21.10 H new ATOM 0 HA ASP B 5 0.824 5.737 -20.272 1.00 42.12 H new ATOM 0 HB2 ASP B 5 0.043 2.826 -20.305 1.00 41.24 H new ATOM 0 HB3 ASP B 5 -1.179 4.033 -19.957 1.00 41.24 H new ATOM 567 N VAL B 6 -0.259 5.876 -17.971 1.00 62.33 N ATOM 568 CA VAL B 6 -0.648 6.093 -16.588 1.00 53.25 C ATOM 569 C VAL B 6 -2.156 5.873 -16.447 1.00 53.54 C ATOM 570 O VAL B 6 -2.926 6.237 -17.336 1.00 1.00 O ATOM 571 CB VAL B 6 -0.202 7.483 -16.130 1.00 22.20 C ATOM 572 CG1 VAL B 6 -0.997 7.938 -14.905 1.00 50.25 C ATOM 573 CG2 VAL B 6 1.302 7.510 -15.849 1.00 42.31 C ATOM 0 H VAL B 6 -0.621 6.566 -18.629 1.00 62.33 H new ATOM 0 HA VAL B 6 -0.151 5.376 -15.935 1.00 53.25 H new ATOM 0 HB VAL B 6 -0.405 8.184 -16.940 1.00 22.20 H new ATOM 0 HG11 VAL B 6 -0.660 8.929 -14.600 1.00 50.25 H new ATOM 0 HG12 VAL B 6 -2.058 7.976 -15.153 1.00 50.25 H new ATOM 0 HG13 VAL B 6 -0.840 7.234 -14.088 1.00 50.25 H new ATOM 0 HG21 VAL B 6 1.594 8.509 -15.525 1.00 42.31 H new ATOM 0 HG22 VAL B 6 1.539 6.791 -15.065 1.00 42.31 H new ATOM 0 HG23 VAL B 6 1.846 7.249 -16.757 1.00 42.31 H new ATOM 583 N TYR B 7 -2.533 5.279 -15.325 1.00 44.21 N ATOM 584 CA TYR B 7 -3.935 5.007 -15.057 1.00 70.12 C ATOM 585 C TYR B 7 -4.345 5.542 -13.683 1.00 2.11 C ATOM 586 O TYR B 7 -3.653 5.313 -12.692 1.00 22.20 O ATOM 587 CB TYR B 7 -4.076 3.483 -15.059 1.00 75.03 C ATOM 588 CG TYR B 7 -4.444 2.895 -16.423 1.00 50.21 C ATOM 589 CD1 TYR B 7 -3.606 3.081 -17.504 1.00 21.45 C ATOM 590 CD2 TYR B 7 -5.615 2.180 -16.573 1.00 42.21 C ATOM 591 CE1 TYR B 7 -3.953 2.527 -18.787 1.00 2.11 C ATOM 592 CE2 TYR B 7 -5.961 1.626 -17.856 1.00 74.21 C ATOM 593 CZ TYR B 7 -5.113 1.828 -18.901 1.00 33.42 C ATOM 594 OH TYR B 7 -5.440 1.305 -20.112 1.00 75.43 O ATOM 0 H TYR B 7 -1.892 4.978 -14.591 1.00 44.21 H new ATOM 0 HA TYR B 7 -4.568 5.488 -15.803 1.00 70.12 H new ATOM 0 HB2 TYR B 7 -3.137 3.041 -14.725 1.00 75.03 H new ATOM 0 HB3 TYR B 7 -4.838 3.198 -14.334 1.00 75.03 H new ATOM 0 HD1 TYR B 7 -2.690 3.642 -17.388 1.00 21.45 H new ATOM 0 HD2 TYR B 7 -6.272 2.036 -15.728 1.00 42.21 H new ATOM 0 HE1 TYR B 7 -3.305 2.664 -19.640 1.00 2.11 H new ATOM 0 HE2 TYR B 7 -6.873 1.063 -17.986 1.00 74.21 H new ATOM 0 HH TYR B 7 -6.295 0.831 -20.043 1.00 75.43 H new ATOM 604 N LYS B 8 -5.467 6.245 -13.669 1.00 1.32 N ATOM 605 CA LYS B 8 -5.977 6.816 -12.433 1.00 62.30 C ATOM 606 C LYS B 8 -7.447 6.427 -12.266 1.00 25.11 C ATOM 607 O LYS B 8 -8.155 6.226 -13.251 1.00 14.01 O ATOM 608 CB LYS B 8 -5.731 8.325 -12.398 1.00 53.43 C ATOM 609 CG LYS B 8 -6.640 9.005 -11.371 1.00 11.24 C ATOM 610 CD LYS B 8 -6.198 10.448 -11.118 1.00 44.23 C ATOM 611 CE LYS B 8 -6.463 10.856 -9.667 1.00 42.12 C ATOM 612 NZ LYS B 8 -7.023 12.225 -9.609 1.00 22.31 N ATOM 0 H LYS B 8 -6.038 6.433 -14.493 1.00 1.32 H new ATOM 0 HA LYS B 8 -5.440 6.410 -11.575 1.00 62.30 H new ATOM 0 HB2 LYS B 8 -4.687 8.521 -12.152 1.00 53.43 H new ATOM 0 HB3 LYS B 8 -5.911 8.749 -13.386 1.00 53.43 H new ATOM 0 HG2 LYS B 8 -7.670 8.994 -11.728 1.00 11.24 H new ATOM 0 HG3 LYS B 8 -6.620 8.446 -10.436 1.00 11.24 H new ATOM 0 HD2 LYS B 8 -5.136 10.551 -11.340 1.00 44.23 H new ATOM 0 HD3 LYS B 8 -6.731 11.119 -11.791 1.00 44.23 H new ATOM 0 HE2 LYS B 8 -7.157 10.153 -9.206 1.00 42.12 H new ATOM 0 HE3 LYS B 8 -5.536 10.811 -9.095 1.00 42.12 H new ATOM 0 HZ1 LYS B 8 -7.197 12.487 -8.618 1.00 22.31 H new ATOM 0 HZ2 LYS B 8 -6.348 12.894 -10.031 1.00 22.31 H new ATOM 0 HZ3 LYS B 8 -7.918 12.257 -10.138 1.00 22.31 H new ATOM 625 N CYS B 9 -7.862 6.334 -11.011 1.00 70.03 N ATOM 626 CA CYS B 9 -9.235 5.973 -10.702 1.00 33.42 C ATOM 627 C CYS B 9 -10.021 7.258 -10.431 1.00 63.44 C ATOM 628 O CYS B 9 -9.434 8.328 -10.281 1.00 45.30 O ATOM 629 CB CYS B 9 -9.314 4.998 -9.526 1.00 24.13 C ATOM 630 SG CYS B 9 -10.970 4.270 -9.239 1.00 41.22 S ATOM 0 H CYS B 9 -7.272 6.502 -10.197 1.00 70.03 H new ATOM 0 HA CYS B 9 -9.675 5.451 -11.552 1.00 33.42 H new ATOM 0 HB2 CYS B 9 -8.602 4.190 -9.694 1.00 24.13 H new ATOM 0 HB3 CYS B 9 -8.999 5.517 -8.621 1.00 24.13 H new ATOM 635 N GLU B 10 -11.336 7.110 -10.378 1.00 72.22 N ATOM 636 CA GLU B 10 -12.208 8.245 -10.129 1.00 62.03 C ATOM 637 C GLU B 10 -12.811 8.153 -8.725 1.00 52.25 C ATOM 638 O GLU B 10 -13.299 9.146 -8.190 1.00 32.53 O ATOM 639 CB GLU B 10 -13.304 8.339 -11.191 1.00 63.13 C ATOM 640 CG GLU B 10 -12.706 8.607 -12.574 1.00 61.02 C ATOM 641 CD GLU B 10 -12.043 9.985 -12.627 1.00 44.22 C ATOM 642 OE1 GLU B 10 -12.441 10.893 -11.883 1.00 51.43 O ATOM 643 OE2 GLU B 10 -11.080 10.095 -13.479 1.00 13.31 O ATOM 0 H GLU B 10 -11.819 6.221 -10.503 1.00 72.22 H new ATOM 0 HA GLU B 10 -11.612 9.156 -10.189 1.00 62.03 H new ATOM 0 HB2 GLU B 10 -13.876 7.411 -11.212 1.00 63.13 H new ATOM 0 HB3 GLU B 10 -14.000 9.137 -10.931 1.00 63.13 H new ATOM 0 HG2 GLU B 10 -11.972 7.837 -12.812 1.00 61.02 H new ATOM 0 HG3 GLU B 10 -13.488 8.547 -13.330 1.00 61.02 H new ATOM 650 N LEU B 11 -12.758 6.950 -8.171 1.00 44.34 N ATOM 651 CA LEU B 11 -13.294 6.715 -6.841 1.00 42.24 C ATOM 652 C LEU B 11 -12.163 6.820 -5.816 1.00 33.14 C ATOM 653 O LEU B 11 -12.041 7.827 -5.121 1.00 13.20 O ATOM 654 CB LEU B 11 -14.045 5.384 -6.794 1.00 73.30 C ATOM 655 CG LEU B 11 -14.565 4.858 -8.134 1.00 42.12 C ATOM 656 CD1 LEU B 11 -15.027 3.405 -8.011 1.00 63.31 C ATOM 657 CD2 LEU B 11 -15.665 5.765 -8.689 1.00 21.14 C ATOM 0 H LEU B 11 -12.352 6.128 -8.619 1.00 44.34 H new ATOM 0 HA LEU B 11 -14.029 7.478 -6.585 1.00 42.24 H new ATOM 0 HB2 LEU B 11 -13.384 4.632 -6.363 1.00 73.30 H new ATOM 0 HB3 LEU B 11 -14.891 5.491 -6.115 1.00 73.30 H new ATOM 0 HG LEU B 11 -13.743 4.874 -8.850 1.00 42.12 H new ATOM 0 HD11 LEU B 11 -15.392 3.056 -8.977 1.00 63.31 H new ATOM 0 HD12 LEU B 11 -14.190 2.783 -7.693 1.00 63.31 H new ATOM 0 HD13 LEU B 11 -15.829 3.339 -7.275 1.00 63.31 H new ATOM 0 HD21 LEU B 11 -16.017 5.369 -9.641 1.00 21.14 H new ATOM 0 HD22 LEU B 11 -16.495 5.804 -7.983 1.00 21.14 H new ATOM 0 HD23 LEU B 11 -15.268 6.769 -8.838 1.00 21.14 H new ATOM 669 N CYS B 12 -11.364 5.765 -5.753 1.00 3.31 N ATOM 670 CA CYS B 12 -10.247 5.725 -4.824 1.00 42.41 C ATOM 671 C CYS B 12 -9.293 6.869 -5.172 1.00 24.33 C ATOM 672 O CYS B 12 -8.609 7.399 -4.298 1.00 11.02 O ATOM 673 CB CYS B 12 -9.543 4.368 -4.843 1.00 31.33 C ATOM 674 SG CYS B 12 -9.040 3.787 -6.504 1.00 71.00 S ATOM 0 H CYS B 12 -11.468 4.931 -6.331 1.00 3.31 H new ATOM 0 HA CYS B 12 -10.613 5.855 -3.805 1.00 42.41 H new ATOM 0 HB2 CYS B 12 -8.657 4.425 -4.210 1.00 31.33 H new ATOM 0 HB3 CYS B 12 -10.205 3.625 -4.399 1.00 31.33 H new ATOM 679 N GLY B 13 -9.275 7.214 -6.451 1.00 51.20 N ATOM 680 CA GLY B 13 -8.414 8.285 -6.925 1.00 72.32 C ATOM 681 C GLY B 13 -6.947 7.853 -6.917 1.00 11.01 C ATOM 682 O GLY B 13 -6.052 8.686 -6.776 1.00 74.51 O ATOM 0 H GLY B 13 -9.842 6.771 -7.174 1.00 51.20 H new ATOM 0 HA2 GLY B 13 -8.707 8.572 -7.935 1.00 72.32 H new ATOM 0 HA3 GLY B 13 -8.541 9.165 -6.294 1.00 72.32 H new ATOM 686 N GLN B 14 -6.744 6.552 -7.069 1.00 53.30 N ATOM 687 CA GLN B 14 -5.401 6.001 -7.081 1.00 63.10 C ATOM 688 C GLN B 14 -4.775 6.154 -8.468 1.00 10.12 C ATOM 689 O GLN B 14 -5.459 6.007 -9.481 1.00 23.42 O ATOM 690 CB GLN B 14 -5.406 4.536 -6.640 1.00 63.42 C ATOM 691 CG GLN B 14 -4.059 3.871 -6.931 1.00 72.02 C ATOM 692 CD GLN B 14 -3.604 3.013 -5.748 1.00 61.14 C ATOM 693 OE1 GLN B 14 -4.335 1.919 -5.561 1.00 21.22 O flip ATOM 694 NE2 GLN B 14 -2.652 3.325 -5.052 1.00 11.23 N flip ATOM 0 H GLN B 14 -7.488 5.864 -7.185 1.00 53.30 H new ATOM 0 HA GLN B 14 -4.795 6.559 -6.368 1.00 63.10 H new ATOM 0 HB2 GLN B 14 -5.623 4.474 -5.574 1.00 63.42 H new ATOM 0 HB3 GLN B 14 -6.200 3.999 -7.159 1.00 63.42 H new ATOM 0 HG2 GLN B 14 -4.141 3.251 -7.824 1.00 72.02 H new ATOM 0 HG3 GLN B 14 -3.310 4.635 -7.140 1.00 72.02 H new ATOM 0 HE21 GLN B 14 -2.133 4.180 -5.251 1.00 11.23 H new ATOM 0 HE22 GLN B 14 -2.375 2.731 -4.271 1.00 11.23 H new ATOM 703 N VAL B 15 -3.483 6.448 -8.472 1.00 12.53 N ATOM 704 CA VAL B 15 -2.758 6.623 -9.718 1.00 54.42 C ATOM 705 C VAL B 15 -1.635 5.589 -9.800 1.00 5.32 C ATOM 706 O VAL B 15 -0.932 5.353 -8.818 1.00 62.31 O ATOM 707 CB VAL B 15 -2.255 8.064 -9.833 1.00 72.20 C ATOM 708 CG1 VAL B 15 -1.585 8.304 -11.188 1.00 3.01 C ATOM 709 CG2 VAL B 15 -3.392 9.062 -9.599 1.00 45.11 C ATOM 0 H VAL B 15 -2.919 6.569 -7.631 1.00 12.53 H new ATOM 0 HA VAL B 15 -3.417 6.454 -10.570 1.00 54.42 H new ATOM 0 HB VAL B 15 -1.506 8.221 -9.056 1.00 72.20 H new ATOM 0 HG11 VAL B 15 -1.237 9.335 -11.244 1.00 3.01 H new ATOM 0 HG12 VAL B 15 -0.737 7.628 -11.300 1.00 3.01 H new ATOM 0 HG13 VAL B 15 -2.303 8.120 -11.987 1.00 3.01 H new ATOM 0 HG21 VAL B 15 -3.008 10.078 -9.686 1.00 45.11 H new ATOM 0 HG22 VAL B 15 -4.173 8.904 -10.342 1.00 45.11 H new ATOM 0 HG23 VAL B 15 -3.806 8.915 -8.601 1.00 45.11 H new ATOM 719 N VAL B 16 -1.498 5.000 -10.978 1.00 53.51 N ATOM 720 CA VAL B 16 -0.471 3.997 -11.200 1.00 54.35 C ATOM 721 C VAL B 16 0.082 4.145 -12.619 1.00 23.31 C ATOM 722 O VAL B 16 -0.548 4.768 -13.473 1.00 61.51 O ATOM 723 CB VAL B 16 -1.034 2.602 -10.921 1.00 23.24 C ATOM 724 CG1 VAL B 16 -1.338 2.421 -9.432 1.00 44.15 C ATOM 725 CG2 VAL B 16 -2.277 2.332 -11.771 1.00 35.23 C ATOM 0 H VAL B 16 -2.082 5.198 -11.790 1.00 53.51 H new ATOM 0 HA VAL B 16 0.360 4.142 -10.510 1.00 54.35 H new ATOM 0 HB VAL B 16 -0.273 1.872 -11.199 1.00 23.24 H new ATOM 0 HG11 VAL B 16 -1.737 1.421 -9.261 1.00 44.15 H new ATOM 0 HG12 VAL B 16 -0.422 2.550 -8.855 1.00 44.15 H new ATOM 0 HG13 VAL B 16 -2.072 3.163 -9.118 1.00 44.15 H new ATOM 0 HG21 VAL B 16 -2.657 1.334 -11.553 1.00 35.23 H new ATOM 0 HG22 VAL B 16 -3.044 3.071 -11.539 1.00 35.23 H new ATOM 0 HG23 VAL B 16 -2.017 2.399 -12.827 1.00 35.23 H new ATOM 735 N LYS B 17 1.254 3.563 -12.826 1.00 73.31 N ATOM 736 CA LYS B 17 1.900 3.622 -14.126 1.00 73.11 C ATOM 737 C LYS B 17 1.938 2.219 -14.737 1.00 1.22 C ATOM 738 O LYS B 17 1.705 1.230 -14.043 1.00 11.40 O ATOM 739 CB LYS B 17 3.276 4.280 -14.012 1.00 50.33 C ATOM 740 CG LYS B 17 3.567 5.157 -15.231 1.00 50.14 C ATOM 741 CD LYS B 17 5.068 5.206 -15.526 1.00 1.52 C ATOM 742 CE LYS B 17 5.518 6.635 -15.841 1.00 64.45 C ATOM 743 NZ LYS B 17 6.788 6.621 -16.601 1.00 23.10 N ATOM 0 H LYS B 17 1.773 3.048 -12.115 1.00 73.31 H new ATOM 0 HA LYS B 17 1.327 4.251 -14.807 1.00 73.11 H new ATOM 0 HB2 LYS B 17 3.320 4.884 -13.106 1.00 50.33 H new ATOM 0 HB3 LYS B 17 4.044 3.512 -13.921 1.00 50.33 H new ATOM 0 HG2 LYS B 17 3.035 4.768 -16.099 1.00 50.14 H new ATOM 0 HG3 LYS B 17 3.194 6.166 -15.055 1.00 50.14 H new ATOM 0 HD2 LYS B 17 5.624 4.827 -14.668 1.00 1.52 H new ATOM 0 HD3 LYS B 17 5.298 4.554 -16.369 1.00 1.52 H new ATOM 0 HE2 LYS B 17 4.748 7.147 -16.418 1.00 64.45 H new ATOM 0 HE3 LYS B 17 5.647 7.195 -14.915 1.00 64.45 H new ATOM 0 HZ1 LYS B 17 7.080 7.598 -16.807 1.00 23.10 H new ATOM 0 HZ2 LYS B 17 7.525 6.151 -16.037 1.00 23.10 H new ATOM 0 HZ3 LYS B 17 6.653 6.105 -17.494 1.00 23.10 H new ATOM 756 N VAL B 18 2.235 2.178 -16.028 1.00 22.35 N ATOM 757 CA VAL B 18 2.307 0.913 -16.738 1.00 23.32 C ATOM 758 C VAL B 18 3.766 0.611 -17.087 1.00 12.14 C ATOM 759 O VAL B 18 4.242 0.984 -18.158 1.00 2.32 O ATOM 760 CB VAL B 18 1.394 0.949 -17.966 1.00 44.20 C ATOM 761 CG1 VAL B 18 1.544 -0.325 -18.798 1.00 73.12 C ATOM 762 CG2 VAL B 18 -0.064 1.171 -17.558 1.00 64.13 C ATOM 0 H VAL B 18 2.428 3.000 -16.600 1.00 22.35 H new ATOM 0 HA VAL B 18 1.949 0.100 -16.107 1.00 23.32 H new ATOM 0 HB VAL B 18 1.700 1.791 -18.587 1.00 44.20 H new ATOM 0 HG11 VAL B 18 0.884 -0.274 -19.664 1.00 73.12 H new ATOM 0 HG12 VAL B 18 2.577 -0.421 -19.133 1.00 73.12 H new ATOM 0 HG13 VAL B 18 1.278 -1.190 -18.190 1.00 73.12 H new ATOM 0 HG21 VAL B 18 -0.692 1.193 -18.449 1.00 64.13 H new ATOM 0 HG22 VAL B 18 -0.387 0.359 -16.906 1.00 64.13 H new ATOM 0 HG23 VAL B 18 -0.153 2.119 -17.028 1.00 64.13 H new ATOM 772 N LEU B 19 4.435 -0.062 -16.162 1.00 53.03 N ATOM 773 CA LEU B 19 5.830 -0.418 -16.359 1.00 23.12 C ATOM 774 C LEU B 19 5.932 -1.478 -17.457 1.00 60.14 C ATOM 775 O LEU B 19 6.827 -1.420 -18.300 1.00 12.24 O ATOM 776 CB LEU B 19 6.466 -0.843 -15.033 1.00 23.23 C ATOM 777 CG LEU B 19 7.856 -0.273 -14.743 1.00 33.15 C ATOM 778 CD1 LEU B 19 8.863 -0.713 -15.808 1.00 34.35 C ATOM 779 CD2 LEU B 19 7.804 1.250 -14.597 1.00 63.44 C ATOM 0 H LEU B 19 4.037 -0.370 -15.275 1.00 53.03 H new ATOM 0 HA LEU B 19 6.400 0.447 -16.698 1.00 23.12 H new ATOM 0 HB2 LEU B 19 5.799 -0.550 -14.222 1.00 23.23 H new ATOM 0 HB3 LEU B 19 6.530 -1.931 -15.016 1.00 23.23 H new ATOM 0 HG LEU B 19 8.199 -0.677 -13.790 1.00 33.15 H new ATOM 0 HD11 LEU B 19 9.843 -0.294 -15.578 1.00 34.35 H new ATOM 0 HD12 LEU B 19 8.928 -1.801 -15.820 1.00 34.35 H new ATOM 0 HD13 LEU B 19 8.537 -0.358 -16.786 1.00 34.35 H new ATOM 0 HD21 LEU B 19 8.805 1.630 -14.391 1.00 63.44 H new ATOM 0 HD22 LEU B 19 7.431 1.692 -15.521 1.00 63.44 H new ATOM 0 HD23 LEU B 19 7.139 1.514 -13.774 1.00 63.44 H new ATOM 791 N GLU B 20 5.003 -2.421 -17.413 1.00 54.01 N ATOM 792 CA GLU B 20 4.977 -3.492 -18.395 1.00 20.21 C ATOM 793 C GLU B 20 3.538 -3.779 -18.829 1.00 30.25 C ATOM 794 O GLU B 20 2.699 -4.146 -18.007 1.00 51.43 O ATOM 795 CB GLU B 20 5.646 -4.755 -17.847 1.00 53.53 C ATOM 796 CG GLU B 20 5.243 -5.986 -18.661 1.00 2.43 C ATOM 797 CD GLU B 20 5.799 -5.909 -20.084 1.00 3.40 C ATOM 798 OE1 GLU B 20 6.935 -5.452 -20.282 1.00 54.40 O ATOM 799 OE2 GLU B 20 5.007 -6.345 -21.003 1.00 71.44 O ATOM 0 H GLU B 20 4.263 -2.466 -16.713 1.00 54.01 H new ATOM 0 HA GLU B 20 5.543 -3.171 -19.269 1.00 20.21 H new ATOM 0 HB2 GLU B 20 6.729 -4.637 -17.872 1.00 53.53 H new ATOM 0 HB3 GLU B 20 5.364 -4.896 -16.804 1.00 53.53 H new ATOM 0 HG2 GLU B 20 5.612 -6.887 -18.171 1.00 2.43 H new ATOM 0 HG3 GLU B 20 4.156 -6.064 -18.695 1.00 2.43 H new ATOM 806 N GLU B 21 3.296 -3.602 -20.119 1.00 40.33 N ATOM 807 CA GLU B 21 1.973 -3.836 -20.674 1.00 24.24 C ATOM 808 C GLU B 21 1.362 -5.102 -20.069 1.00 25.44 C ATOM 809 O GLU B 21 2.084 -6.024 -19.691 1.00 32.44 O ATOM 810 CB GLU B 21 2.026 -3.928 -22.199 1.00 41.15 C ATOM 811 CG GLU B 21 2.456 -2.594 -22.815 1.00 34.24 C ATOM 812 CD GLU B 21 2.596 -2.710 -24.333 1.00 74.44 C ATOM 813 OE1 GLU B 21 3.647 -3.144 -24.827 1.00 50.01 O ATOM 814 OE2 GLU B 21 1.563 -2.332 -25.007 1.00 11.30 O ATOM 0 H GLU B 21 3.995 -3.299 -20.797 1.00 40.33 H new ATOM 0 HA GLU B 21 1.337 -2.989 -20.417 1.00 24.24 H new ATOM 0 HB2 GLU B 21 2.724 -4.711 -22.496 1.00 41.15 H new ATOM 0 HB3 GLU B 21 1.046 -4.211 -22.584 1.00 41.15 H new ATOM 0 HG2 GLU B 21 1.723 -1.824 -22.572 1.00 34.24 H new ATOM 0 HG3 GLU B 21 3.405 -2.279 -22.382 1.00 34.24 H new ATOM 821 N GLY B 22 0.039 -5.106 -19.996 1.00 43.35 N ATOM 822 CA GLY B 22 -0.676 -6.244 -19.444 1.00 41.35 C ATOM 823 C GLY B 22 -1.685 -6.798 -20.452 1.00 3.02 C ATOM 824 O GLY B 22 -1.578 -6.538 -21.649 1.00 71.43 O ATOM 0 H GLY B 22 -0.556 -4.339 -20.310 1.00 43.35 H new ATOM 0 HA2 GLY B 22 0.033 -7.024 -19.167 1.00 41.35 H new ATOM 0 HA3 GLY B 22 -1.194 -5.946 -18.532 1.00 41.35 H new ATOM 828 N GLY B 23 -2.642 -7.551 -19.930 1.00 25.21 N ATOM 829 CA GLY B 23 -3.669 -8.144 -20.769 1.00 62.31 C ATOM 830 C GLY B 23 -5.062 -7.901 -20.185 1.00 54.35 C ATOM 831 O GLY B 23 -5.968 -7.462 -20.893 1.00 63.24 O ATOM 0 H GLY B 23 -2.728 -7.764 -18.936 1.00 25.21 H new ATOM 0 HA2 GLY B 23 -3.613 -7.722 -21.772 1.00 62.31 H new ATOM 0 HA3 GLY B 23 -3.492 -9.215 -20.864 1.00 62.31 H new ATOM 835 N GLY B 24 -5.190 -8.194 -18.901 1.00 15.02 N ATOM 836 CA GLY B 24 -6.458 -8.012 -18.214 1.00 4.15 C ATOM 837 C GLY B 24 -6.732 -6.530 -17.952 1.00 1.21 C ATOM 838 O GLY B 24 -6.172 -5.663 -18.623 1.00 33.15 O ATOM 0 H GLY B 24 -4.437 -8.557 -18.317 1.00 15.02 H new ATOM 0 HA2 GLY B 24 -7.264 -8.434 -18.814 1.00 4.15 H new ATOM 0 HA3 GLY B 24 -6.445 -8.556 -17.269 1.00 4.15 H new ATOM 842 N THR B 25 -7.592 -6.283 -16.975 1.00 3.20 N ATOM 843 CA THR B 25 -7.947 -4.921 -16.617 1.00 4.15 C ATOM 844 C THR B 25 -7.447 -4.592 -15.208 1.00 74.22 C ATOM 845 O THR B 25 -7.332 -5.479 -14.364 1.00 34.41 O ATOM 846 CB THR B 25 -9.461 -4.769 -16.774 1.00 55.23 C ATOM 847 OG1 THR B 25 -9.645 -4.565 -18.173 1.00 41.50 O ATOM 848 CG2 THR B 25 -9.991 -3.483 -16.137 1.00 41.03 C ATOM 0 H THR B 25 -8.053 -7.004 -16.420 1.00 3.20 H new ATOM 0 HA THR B 25 -7.463 -4.201 -17.277 1.00 4.15 H new ATOM 0 HB THR B 25 -9.960 -5.628 -16.325 1.00 55.23 H new ATOM 0 HG1 THR B 25 -10.600 -4.458 -18.365 1.00 41.50 H new ATOM 0 HG21 THR B 25 -11.070 -3.425 -16.277 1.00 41.03 H new ATOM 0 HG22 THR B 25 -9.763 -3.484 -15.071 1.00 41.03 H new ATOM 0 HG23 THR B 25 -9.517 -2.622 -16.608 1.00 41.03 H new ATOM 856 N LEU B 26 -7.164 -3.315 -14.997 1.00 22.31 N ATOM 857 CA LEU B 26 -6.680 -2.859 -13.706 1.00 61.11 C ATOM 858 C LEU B 26 -7.871 -2.481 -12.824 1.00 11.31 C ATOM 859 O LEU B 26 -8.307 -1.330 -12.823 1.00 22.00 O ATOM 860 CB LEU B 26 -5.662 -1.730 -13.883 1.00 14.12 C ATOM 861 CG LEU B 26 -4.290 -2.142 -14.418 1.00 43.12 C ATOM 862 CD1 LEU B 26 -3.465 -0.916 -14.814 1.00 10.31 C ATOM 863 CD2 LEU B 26 -3.552 -3.028 -13.411 1.00 34.10 C ATOM 0 H LEU B 26 -7.261 -2.582 -15.699 1.00 22.31 H new ATOM 0 HA LEU B 26 -6.146 -3.660 -13.195 1.00 61.11 H new ATOM 0 HB2 LEU B 26 -6.086 -0.988 -14.560 1.00 14.12 H new ATOM 0 HB3 LEU B 26 -5.522 -1.240 -12.920 1.00 14.12 H new ATOM 0 HG LEU B 26 -4.440 -2.735 -15.320 1.00 43.12 H new ATOM 0 HD11 LEU B 26 -2.494 -1.237 -15.191 1.00 10.31 H new ATOM 0 HD12 LEU B 26 -3.990 -0.360 -15.591 1.00 10.31 H new ATOM 0 HD13 LEU B 26 -3.322 -0.277 -13.943 1.00 10.31 H new ATOM 0 HD21 LEU B 26 -2.579 -3.307 -13.816 1.00 34.10 H new ATOM 0 HD22 LEU B 26 -3.413 -2.481 -12.478 1.00 34.10 H new ATOM 0 HD23 LEU B 26 -4.137 -3.928 -13.221 1.00 34.10 H new ATOM 875 N VAL B 27 -8.364 -3.470 -12.094 1.00 21.12 N ATOM 876 CA VAL B 27 -9.497 -3.255 -11.209 1.00 43.20 C ATOM 877 C VAL B 27 -9.014 -2.583 -9.923 1.00 24.34 C ATOM 878 O VAL B 27 -7.857 -2.742 -9.532 1.00 31.15 O ATOM 879 CB VAL B 27 -10.222 -4.579 -10.956 1.00 43.43 C ATOM 880 CG1 VAL B 27 -10.910 -4.575 -9.589 1.00 45.33 C ATOM 881 CG2 VAL B 27 -11.224 -4.877 -12.074 1.00 41.33 C ATOM 0 H VAL B 27 -8.000 -4.423 -12.097 1.00 21.12 H new ATOM 0 HA VAL B 27 -10.222 -2.586 -11.673 1.00 43.20 H new ATOM 0 HB VAL B 27 -9.477 -5.374 -10.953 1.00 43.43 H new ATOM 0 HG11 VAL B 27 -11.418 -5.527 -9.434 1.00 45.33 H new ATOM 0 HG12 VAL B 27 -10.165 -4.430 -8.807 1.00 45.33 H new ATOM 0 HG13 VAL B 27 -11.638 -3.765 -9.551 1.00 45.33 H new ATOM 0 HG21 VAL B 27 -11.726 -5.823 -11.870 1.00 41.33 H new ATOM 0 HG22 VAL B 27 -11.963 -4.077 -12.123 1.00 41.33 H new ATOM 0 HG23 VAL B 27 -10.698 -4.943 -13.026 1.00 41.33 H new ATOM 891 N CYS B 28 -9.922 -1.848 -9.299 1.00 42.20 N ATOM 892 CA CYS B 28 -9.602 -1.151 -8.065 1.00 1.23 C ATOM 893 C CYS B 28 -10.910 -0.672 -7.431 1.00 61.13 C ATOM 894 O CYS B 28 -11.800 -0.186 -8.127 1.00 31.52 O ATOM 895 CB CYS B 28 -8.626 0.004 -8.303 1.00 55.12 C ATOM 896 SG CYS B 28 -9.322 1.414 -9.239 1.00 52.22 S ATOM 0 H CYS B 28 -10.880 -1.720 -9.625 1.00 42.20 H new ATOM 0 HA CYS B 28 -9.095 -1.832 -7.381 1.00 1.23 H new ATOM 0 HB2 CYS B 28 -8.271 0.366 -7.338 1.00 55.12 H new ATOM 0 HB3 CYS B 28 -7.757 -0.377 -8.840 1.00 55.12 H new ATOM 901 N CYS B 29 -10.984 -0.827 -6.117 1.00 42.21 N ATOM 902 CA CYS B 29 -12.168 -0.416 -5.381 1.00 75.13 C ATOM 903 C CYS B 29 -13.399 -0.959 -6.111 1.00 44.22 C ATOM 904 O CYS B 29 -14.238 -0.190 -6.578 1.00 64.10 O ATOM 905 CB CYS B 29 -12.230 1.102 -5.211 1.00 2.53 C ATOM 906 SG CYS B 29 -12.504 2.039 -6.759 1.00 22.30 S ATOM 0 H CYS B 29 -10.244 -1.231 -5.543 1.00 42.21 H new ATOM 0 HA CYS B 29 -12.133 -0.827 -4.372 1.00 75.13 H new ATOM 0 HB2 CYS B 29 -13.030 1.342 -4.511 1.00 2.53 H new ATOM 0 HB3 CYS B 29 -11.298 1.441 -4.758 1.00 2.53 H new ATOM 911 N GLY B 30 -13.468 -2.280 -6.185 1.00 54.31 N ATOM 912 CA GLY B 30 -14.583 -2.935 -6.849 1.00 4.32 C ATOM 913 C GLY B 30 -14.962 -2.200 -8.137 1.00 24.00 C ATOM 914 O GLY B 30 -16.137 -2.130 -8.493 1.00 11.31 O ATOM 0 H GLY B 30 -12.770 -2.915 -5.796 1.00 54.31 H new ATOM 0 HA2 GLY B 30 -14.319 -3.967 -7.079 1.00 4.32 H new ATOM 0 HA3 GLY B 30 -15.442 -2.968 -6.179 1.00 4.32 H new ATOM 918 N GLU B 31 -13.944 -1.671 -8.800 1.00 12.01 N ATOM 919 CA GLU B 31 -14.155 -0.944 -10.040 1.00 33.11 C ATOM 920 C GLU B 31 -13.033 -1.252 -11.034 1.00 32.21 C ATOM 921 O GLU B 31 -12.306 -2.230 -10.871 1.00 32.21 O ATOM 922 CB GLU B 31 -14.262 0.561 -9.783 1.00 21.42 C ATOM 923 CG GLU B 31 -15.649 1.085 -10.158 1.00 33.51 C ATOM 924 CD GLU B 31 -15.591 1.931 -11.430 1.00 2.33 C ATOM 925 OE1 GLU B 31 -14.800 2.884 -11.505 1.00 34.32 O ATOM 926 OE2 GLU B 31 -16.403 1.570 -12.364 1.00 52.24 O ATOM 0 H GLU B 31 -12.971 -1.732 -8.502 1.00 12.01 H new ATOM 0 HA GLU B 31 -15.099 -1.273 -10.474 1.00 33.11 H new ATOM 0 HB2 GLU B 31 -14.063 0.769 -8.732 1.00 21.42 H new ATOM 0 HB3 GLU B 31 -13.502 1.087 -10.361 1.00 21.42 H new ATOM 0 HG2 GLU B 31 -16.330 0.247 -10.305 1.00 33.51 H new ATOM 0 HG3 GLU B 31 -16.050 1.681 -9.338 1.00 33.51 H new ATOM 933 N ASP B 32 -12.929 -0.399 -12.042 1.00 22.43 N ATOM 934 CA ASP B 32 -11.908 -0.568 -13.063 1.00 22.43 C ATOM 935 C ASP B 32 -11.205 0.769 -13.301 1.00 12.53 C ATOM 936 O ASP B 32 -11.736 1.639 -13.990 1.00 44.53 O ATOM 937 CB ASP B 32 -12.524 -1.021 -14.388 1.00 23.44 C ATOM 938 CG ASP B 32 -13.134 -2.424 -14.370 1.00 60.40 C ATOM 939 OD1 ASP B 32 -13.869 -2.687 -13.342 1.00 40.33 O ATOM 940 OD2 ASP B 32 -12.919 -3.226 -15.292 1.00 12.44 O ATOM 0 H ASP B 32 -13.534 0.411 -12.174 1.00 22.43 H new ATOM 0 HA ASP B 32 -11.205 -1.325 -12.715 1.00 22.43 H new ATOM 0 HB2 ASP B 32 -13.297 -0.308 -14.675 1.00 23.44 H new ATOM 0 HB3 ASP B 32 -11.755 -0.985 -15.160 1.00 23.44 H new ATOM 945 N MET B 33 -10.021 0.892 -12.717 1.00 53.32 N ATOM 946 CA MET B 33 -9.241 2.110 -12.858 1.00 30.01 C ATOM 947 C MET B 33 -9.362 2.679 -14.273 1.00 13.44 C ATOM 948 O MET B 33 -9.569 1.935 -15.230 1.00 34.21 O ATOM 949 CB MET B 33 -7.771 1.812 -12.552 1.00 74.34 C ATOM 950 CG MET B 33 -7.185 2.861 -11.604 1.00 61.52 C ATOM 951 SD MET B 33 -5.415 2.660 -11.492 1.00 40.51 S ATOM 952 CE MET B 33 -5.334 1.057 -10.711 1.00 5.23 C ATOM 0 H MET B 33 -9.584 0.169 -12.146 1.00 53.32 H new ATOM 0 HA MET B 33 -9.626 2.849 -12.156 1.00 30.01 H new ATOM 0 HB2 MET B 33 -7.682 0.822 -12.104 1.00 74.34 H new ATOM 0 HB3 MET B 33 -7.199 1.795 -13.480 1.00 74.34 H new ATOM 0 HG2 MET B 33 -7.424 3.862 -11.963 1.00 61.52 H new ATOM 0 HG3 MET B 33 -7.634 2.762 -10.616 1.00 61.52 H new ATOM 0 HE1 MET B 33 -4.636 1.095 -9.874 1.00 5.23 H new ATOM 0 HE2 MET B 33 -6.323 0.780 -10.346 1.00 5.23 H new ATOM 0 HE3 MET B 33 -4.993 0.317 -11.435 1.00 5.23 H new ATOM 962 N VAL B 34 -9.229 3.995 -14.360 1.00 70.41 N ATOM 963 CA VAL B 34 -9.322 4.673 -15.642 1.00 23.31 C ATOM 964 C VAL B 34 -7.913 4.936 -16.177 1.00 73.14 C ATOM 965 O VAL B 34 -6.944 4.919 -15.420 1.00 34.23 O ATOM 966 CB VAL B 34 -10.156 5.947 -15.501 1.00 72.13 C ATOM 967 CG1 VAL B 34 -10.680 6.413 -16.861 1.00 43.21 C ATOM 968 CG2 VAL B 34 -11.306 5.743 -14.512 1.00 61.01 C ATOM 0 H VAL B 34 -9.058 4.609 -13.564 1.00 70.41 H new ATOM 0 HA VAL B 34 -9.835 4.045 -16.371 1.00 23.31 H new ATOM 0 HB VAL B 34 -9.508 6.729 -15.105 1.00 72.13 H new ATOM 0 HG11 VAL B 34 -11.270 7.321 -16.732 1.00 43.21 H new ATOM 0 HG12 VAL B 34 -9.839 6.618 -17.524 1.00 43.21 H new ATOM 0 HG13 VAL B 34 -11.305 5.633 -17.297 1.00 43.21 H new ATOM 0 HG21 VAL B 34 -11.883 6.664 -14.430 1.00 61.01 H new ATOM 0 HG22 VAL B 34 -11.952 4.940 -14.866 1.00 61.01 H new ATOM 0 HG23 VAL B 34 -10.903 5.480 -13.534 1.00 61.01 H new ATOM 978 N LYS B 35 -7.844 5.176 -17.479 1.00 34.13 N ATOM 979 CA LYS B 35 -6.570 5.443 -18.124 1.00 71.33 C ATOM 980 C LYS B 35 -6.512 6.915 -18.537 1.00 2.13 C ATOM 981 O LYS B 35 -7.520 7.489 -18.947 1.00 24.15 O ATOM 982 CB LYS B 35 -6.341 4.471 -19.282 1.00 62.54 C ATOM 983 CG LYS B 35 -6.965 5.000 -20.575 1.00 63.11 C ATOM 984 CD LYS B 35 -5.954 5.823 -21.375 1.00 42.14 C ATOM 985 CE LYS B 35 -4.861 4.928 -21.963 1.00 71.21 C ATOM 986 NZ LYS B 35 -3.536 5.577 -21.837 1.00 72.20 N ATOM 0 H LYS B 35 -8.650 5.191 -18.104 1.00 34.13 H new ATOM 0 HA LYS B 35 -5.748 5.273 -17.429 1.00 71.33 H new ATOM 0 HB2 LYS B 35 -5.272 4.318 -19.427 1.00 62.54 H new ATOM 0 HB3 LYS B 35 -6.772 3.500 -19.037 1.00 62.54 H new ATOM 0 HG2 LYS B 35 -7.320 4.165 -21.180 1.00 63.11 H new ATOM 0 HG3 LYS B 35 -7.834 5.614 -20.339 1.00 63.11 H new ATOM 0 HD2 LYS B 35 -6.466 6.353 -22.178 1.00 42.14 H new ATOM 0 HD3 LYS B 35 -5.503 6.578 -20.731 1.00 42.14 H new ATOM 0 HE2 LYS B 35 -4.853 3.968 -21.447 1.00 71.21 H new ATOM 0 HE3 LYS B 35 -5.075 4.725 -23.012 1.00 71.21 H new ATOM 0 HZ1 LYS B 35 -2.800 4.935 -22.194 1.00 72.20 H new ATOM 0 HZ2 LYS B 35 -3.527 6.457 -22.391 1.00 72.20 H new ATOM 0 HZ3 LYS B 35 -3.350 5.795 -20.837 1.00 72.20 H new ATOM 999 N GLN B 36 -5.322 7.485 -18.415 1.00 25.44 N ATOM 1000 CA GLN B 36 -5.119 8.879 -18.771 1.00 62.11 C ATOM 1001 C GLN B 36 -4.818 9.006 -20.265 1.00 0.33 C ATOM 1002 O GLN B 36 -3.680 9.273 -20.652 1.00 74.33 O ATOM 1003 CB GLN B 36 -4.002 9.501 -17.931 1.00 0.50 C ATOM 1004 CG GLN B 36 -4.064 9.009 -16.484 1.00 62.03 C ATOM 1005 CD GLN B 36 -5.109 9.789 -15.683 1.00 22.11 C ATOM 1006 OE1 GLN B 36 -6.283 9.172 -15.581 1.00 72.03 O flip ATOM 1007 NE2 GLN B 36 -4.865 10.878 -15.190 1.00 23.40 N flip ATOM 0 H GLN B 36 -4.488 7.006 -18.074 1.00 25.44 H new ATOM 0 HA GLN B 36 -6.037 9.427 -18.558 1.00 62.11 H new ATOM 0 HB2 GLN B 36 -3.034 9.249 -18.363 1.00 0.50 H new ATOM 0 HB3 GLN B 36 -4.088 10.587 -17.953 1.00 0.50 H new ATOM 0 HG2 GLN B 36 -4.307 7.947 -16.468 1.00 62.03 H new ATOM 0 HG3 GLN B 36 -3.086 9.119 -16.016 1.00 62.03 H new ATOM 0 HE21 GLN B 36 -3.942 11.295 -15.307 1.00 23.40 H new ATOM 0 HE22 GLN B 36 -5.584 11.371 -14.661 1.00 23.40 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.623 -10.055 -14.686 1.00 51.12 ZN HETATM 1018 ZN ZN B 37 -10.688 2.753 -7.699 1.00 41.22 ZN