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 Set 1.1: B 8 LYS NZ :NH3+ -123:sc= -1.07! (180deg=-0.211) USER MOD Set 1.2: B 36 GLN : amide:sc= -2.15 K(o=-3.2,f=-14!) USER MOD Set 2.1: A 7 TYR OH : rot 0:sc= -1.65 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00335) USER MOD Set 3.1: A 14 GLN : amide:sc= 0.439 K(o=0.51,f=-11!) USER MOD Set 3.2: B 1 ALA N :NH3+ -137:sc= 0.0687 (180deg=0) USER MOD Set 4.1: A 1 ALA N :NH3+ -140:sc= 0.148 (180deg=-0.00816) USER MOD Set 4.2: A 2 ASN : amide:sc= -1.17 K(o=-1,f=-7.1!) USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= -0.0828 (180deg=-0.532) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= -0.0289 (180deg=-1.46!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 170:sc= -2.1 (180deg=-2.5) USER MOD Single : A 36 GLN : amide:sc= -3.86! C(o=-3.9!,f=-3.3!) USER MOD Single : B 2 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.2!) USER MOD Single : B 7 TYR OH : rot 120:sc=-0.00219 USER MOD Single : B 14 GLN : amide:sc=-0.00551 X(o=-0.0055,f=-0.26) 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 -139:sc= -3.71 (180deg=-12!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= -0.029 (180deg=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C ALA A 1 1.282 -0.762 -2.311 1.00 0.00 C ATOM 4 O ALA A 1 1.018 -0.233 -3.389 1.00 0.00 O ATOM 5 CB ALA A 1 3.460 -0.601 -1.008 1.00 0.00 C ATOM 0 H1 ALA A 1 1.408 0.932 0.455 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.324 -0.201 -0.197 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.707 -0.730 0.634 1.00 0.00 H new ATOM 0 HA ALA A 1 2.216 1.018 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.021 -0.601 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.992 -0.007 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.356 -1.624 -0.647 1.00 0.00 H new ATOM 11 N ASN A 2 0.926 -1.992 -1.971 1.00 0.00 N ATOM 12 CA ASN A 2 0.171 -2.832 -2.885 1.00 0.00 C ATOM 13 C ASN A 2 1.045 -3.182 -4.090 1.00 0.00 C ATOM 14 O ASN A 2 1.654 -2.302 -4.696 1.00 0.00 O ATOM 15 CB ASN A 2 -1.074 -2.106 -3.399 1.00 0.00 C ATOM 16 CG ASN A 2 -1.864 -1.487 -2.244 1.00 0.00 C ATOM 17 OD1 ASN A 2 -1.378 -0.646 -1.505 1.00 0.00 O ATOM 18 ND2 ASN A 2 -3.106 -1.948 -2.130 1.00 0.00 N ATOM 0 H ASN A 2 1.146 -2.427 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.131 -3.730 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.780 -1.327 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.708 -2.805 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.714 -1.597 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.450 -2.652 -2.782 1.00 0.00 H new ATOM 25 N GLU A 3 1.080 -4.469 -4.402 1.00 0.00 N ATOM 26 CA GLU A 3 1.870 -4.947 -5.524 1.00 0.00 C ATOM 27 C GLU A 3 1.642 -4.060 -6.749 1.00 0.00 C ATOM 28 O GLU A 3 0.716 -3.250 -6.770 1.00 0.00 O ATOM 29 CB GLU A 3 1.549 -6.409 -5.838 1.00 0.00 C ATOM 30 CG GLU A 3 2.003 -7.327 -4.701 1.00 0.00 C ATOM 31 CD GLU A 3 1.697 -8.791 -5.022 1.00 0.00 C ATOM 32 OE1 GLU A 3 1.858 -9.219 -6.174 1.00 0.00 O ATOM 33 OE2 GLU A 3 1.278 -9.492 -4.024 1.00 0.00 O ATOM 0 H GLU A 3 0.574 -5.196 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 3 2.924 -4.892 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.477 -6.524 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.041 -6.702 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.073 -7.204 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.502 -7.041 -3.776 1.00 0.00 H new ATOM 40 N GLY A 4 2.501 -4.242 -7.741 1.00 0.00 N ATOM 41 CA GLY A 4 2.405 -3.469 -8.967 1.00 0.00 C ATOM 42 C GLY A 4 2.679 -1.987 -8.703 1.00 0.00 C ATOM 43 O GLY A 4 1.967 -1.121 -9.209 1.00 0.00 O ATOM 0 H GLY A 4 3.268 -4.914 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.118 -3.850 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.411 -3.588 -9.399 1.00 0.00 H new ATOM 47 N ASP A 5 3.713 -1.741 -7.912 1.00 0.00 N ATOM 48 CA ASP A 5 4.090 -0.378 -7.575 1.00 0.00 C ATOM 49 C ASP A 5 5.601 -0.216 -7.744 1.00 0.00 C ATOM 50 O ASP A 5 6.322 -1.200 -7.899 1.00 0.00 O ATOM 51 CB ASP A 5 3.738 -0.053 -6.122 1.00 0.00 C ATOM 52 CG ASP A 5 2.421 0.701 -5.928 1.00 0.00 C ATOM 53 OD1 ASP A 5 1.378 -0.047 -5.799 1.00 0.00 O ATOM 54 OD2 ASP A 5 2.393 1.941 -5.902 1.00 0.00 O ATOM 0 H ASP A 5 4.302 -2.462 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 5 3.547 0.297 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 5 3.692 -0.985 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.545 0.540 -5.692 1.00 0.00 H new ATOM 59 N VAL A 6 6.038 1.035 -7.707 1.00 0.00 N ATOM 60 CA VAL A 6 7.451 1.339 -7.854 1.00 0.00 C ATOM 61 C VAL A 6 7.864 2.350 -6.782 1.00 0.00 C ATOM 62 O VAL A 6 7.077 3.216 -6.404 1.00 0.00 O ATOM 63 CB VAL A 6 7.736 1.825 -9.276 1.00 0.00 C ATOM 64 CG1 VAL A 6 8.932 2.779 -9.300 1.00 0.00 C ATOM 65 CG2 VAL A 6 7.958 0.645 -10.224 1.00 0.00 C ATOM 0 H VAL A 6 5.438 1.849 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 6 8.053 0.443 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 6 6.861 2.375 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.113 3.110 -10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.720 3.644 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.816 2.264 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.159 1.018 -11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.808 0.056 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.066 0.019 -10.241 1.00 0.00 H new ATOM 75 N TYR A 7 9.099 2.207 -6.324 1.00 0.00 N ATOM 76 CA TYR A 7 9.627 3.097 -5.304 1.00 0.00 C ATOM 77 C TYR A 7 10.988 3.659 -5.717 1.00 0.00 C ATOM 78 O TYR A 7 11.932 2.904 -5.945 1.00 0.00 O ATOM 79 CB TYR A 7 9.802 2.242 -4.047 1.00 0.00 C ATOM 80 CG TYR A 7 8.555 2.173 -3.163 1.00 0.00 C ATOM 81 CD1 TYR A 7 8.262 3.212 -2.303 1.00 0.00 C ATOM 82 CD2 TYR A 7 7.725 1.072 -3.225 1.00 0.00 C ATOM 83 CE1 TYR A 7 7.088 3.147 -1.470 1.00 0.00 C ATOM 84 CE2 TYR A 7 6.552 1.008 -2.392 1.00 0.00 C ATOM 85 CZ TYR A 7 6.291 2.048 -1.556 1.00 0.00 C ATOM 86 OH TYR A 7 5.183 1.987 -0.770 1.00 0.00 O ATOM 0 H TYR A 7 9.749 1.488 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 7 8.955 3.940 -5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 7 10.081 1.231 -4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 7 10.629 2.642 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.912 4.073 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.955 0.259 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.846 3.953 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.894 0.153 -2.431 1.00 0.00 H new ATOM 0 HH TYR A 7 5.124 2.799 -0.224 1.00 0.00 H new ATOM 96 N LYS A 8 11.047 4.980 -5.802 1.00 0.00 N ATOM 97 CA LYS A 8 12.277 5.652 -6.184 1.00 0.00 C ATOM 98 C LYS A 8 12.805 6.455 -4.994 1.00 0.00 C ATOM 99 O LYS A 8 12.050 7.171 -4.339 1.00 0.00 O ATOM 100 CB LYS A 8 12.059 6.492 -7.444 1.00 0.00 C ATOM 101 CG LYS A 8 13.372 7.119 -7.919 1.00 0.00 C ATOM 102 CD LYS A 8 13.398 8.621 -7.632 1.00 0.00 C ATOM 103 CE LYS A 8 13.325 9.429 -8.929 1.00 0.00 C ATOM 104 NZ LYS A 8 14.519 9.174 -9.766 1.00 0.00 N ATOM 0 H LYS A 8 10.262 5.603 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 8 13.045 4.923 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.643 5.867 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.330 7.276 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.212 6.635 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.495 6.947 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.560 8.886 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.310 8.876 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.423 9.162 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.255 10.492 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.703 10.001 -10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.342 9.003 -9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.352 8.339 -10.363 1.00 0.00 H new ATOM 117 N CYS A 9 14.099 6.307 -4.749 1.00 0.00 N ATOM 118 CA CYS A 9 14.738 7.010 -3.649 1.00 0.00 C ATOM 119 C CYS A 9 15.026 8.444 -4.098 1.00 0.00 C ATOM 120 O CYS A 9 15.447 8.671 -5.231 1.00 0.00 O ATOM 121 CB CYS A 9 16.006 6.293 -3.180 1.00 0.00 C ATOM 122 SG CYS A 9 16.813 7.040 -1.715 1.00 0.00 S ATOM 0 H CYS A 9 14.722 5.711 -5.293 1.00 0.00 H new ATOM 0 HA CYS A 9 14.070 7.027 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.757 5.257 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.722 6.275 -4.002 1.00 0.00 H new ATOM 127 N GLU A 10 14.787 9.374 -3.185 1.00 0.00 N ATOM 128 CA GLU A 10 15.015 10.780 -3.472 1.00 0.00 C ATOM 129 C GLU A 10 16.407 11.201 -2.994 1.00 0.00 C ATOM 130 O GLU A 10 16.620 12.357 -2.633 1.00 0.00 O ATOM 131 CB GLU A 10 13.931 11.653 -2.837 1.00 0.00 C ATOM 132 CG GLU A 10 12.710 11.764 -3.753 1.00 0.00 C ATOM 133 CD GLU A 10 12.633 13.149 -4.398 1.00 0.00 C ATOM 134 OE1 GLU A 10 12.082 14.083 -3.797 1.00 0.00 O ATOM 135 OE2 GLU A 10 13.171 13.237 -5.567 1.00 0.00 O ATOM 0 H GLU A 10 14.438 9.181 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 10 14.964 10.922 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.633 11.229 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.331 12.647 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.762 11.000 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.802 11.575 -3.180 1.00 0.00 H new ATOM 142 N LEU A 11 17.318 10.238 -3.008 1.00 0.00 N ATOM 143 CA LEU A 11 18.683 10.494 -2.580 1.00 0.00 C ATOM 144 C LEU A 11 19.652 9.930 -3.620 1.00 0.00 C ATOM 145 O LEU A 11 20.376 10.681 -4.272 1.00 0.00 O ATOM 146 CB LEU A 11 18.912 9.953 -1.168 1.00 0.00 C ATOM 147 CG LEU A 11 19.089 11.001 -0.068 1.00 0.00 C ATOM 148 CD1 LEU A 11 18.193 10.692 1.134 1.00 0.00 C ATOM 149 CD2 LEU A 11 20.560 11.133 0.333 1.00 0.00 C ATOM 0 H LEU A 11 17.137 9.280 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 11 18.869 11.566 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 18.068 9.316 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.798 9.318 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 11 18.775 11.967 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.339 11.452 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.150 10.689 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.452 9.714 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.658 11.885 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.924 10.174 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.148 11.434 -0.534 1.00 0.00 H new ATOM 161 N CYS A 12 19.636 8.611 -3.743 1.00 0.00 N ATOM 162 CA CYS A 12 20.505 7.937 -4.693 1.00 0.00 C ATOM 163 C CYS A 12 19.775 7.851 -6.035 1.00 0.00 C ATOM 164 O CYS A 12 20.366 8.105 -7.084 1.00 0.00 O ATOM 165 CB CYS A 12 20.934 6.558 -4.188 1.00 0.00 C ATOM 166 SG CYS A 12 19.557 5.459 -3.694 1.00 0.00 S ATOM 0 H CYS A 12 19.035 7.991 -3.200 1.00 0.00 H new ATOM 0 HA CYS A 12 21.425 8.509 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 12 21.512 6.064 -4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.599 6.690 -3.335 1.00 0.00 H new ATOM 171 N GLY A 13 18.502 7.493 -5.958 1.00 0.00 N ATOM 172 CA GLY A 13 17.686 7.371 -7.154 1.00 0.00 C ATOM 173 C GLY A 13 17.428 5.902 -7.495 1.00 0.00 C ATOM 174 O GLY A 13 17.264 5.551 -8.662 1.00 0.00 O ATOM 0 H GLY A 13 18.016 7.284 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.737 7.885 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.185 7.860 -7.991 1.00 0.00 H new ATOM 178 N GLN A 14 17.401 5.082 -6.454 1.00 0.00 N ATOM 179 CA GLN A 14 17.167 3.659 -6.628 1.00 0.00 C ATOM 180 C GLN A 14 15.677 3.390 -6.853 1.00 0.00 C ATOM 181 O GLN A 14 14.842 3.786 -6.041 1.00 0.00 O ATOM 182 CB GLN A 14 17.693 2.866 -5.430 1.00 0.00 C ATOM 183 CG GLN A 14 17.323 1.386 -5.548 1.00 0.00 C ATOM 184 CD GLN A 14 18.394 0.501 -4.906 1.00 0.00 C ATOM 185 OE1 GLN A 14 18.919 -0.420 -5.510 1.00 0.00 O ATOM 186 NE2 GLN A 14 18.688 0.830 -3.651 1.00 0.00 N ATOM 0 H GLN A 14 17.537 5.377 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 14 17.714 3.326 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.776 2.970 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.280 3.276 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 14 16.362 1.208 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 14 17.207 1.119 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 14 18.211 1.613 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.390 0.299 -3.136 1.00 0.00 H new ATOM 195 N VAL A 15 15.390 2.719 -7.958 1.00 0.00 N ATOM 196 CA VAL A 15 14.016 2.393 -8.300 1.00 0.00 C ATOM 197 C VAL A 15 13.804 0.884 -8.158 1.00 0.00 C ATOM 198 O VAL A 15 14.554 0.092 -8.728 1.00 0.00 O ATOM 199 CB VAL A 15 13.687 2.913 -9.700 1.00 0.00 C ATOM 200 CG1 VAL A 15 12.182 2.846 -9.971 1.00 0.00 C ATOM 201 CG2 VAL A 15 14.215 4.336 -9.894 1.00 0.00 C ATOM 0 H VAL A 15 16.086 2.392 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 15 13.325 2.885 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 15 14.187 2.268 -10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.976 3.222 -10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.844 1.813 -9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.653 3.456 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 13.968 4.682 -10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 15 13.757 4.998 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.297 4.343 -9.764 1.00 0.00 H new ATOM 211 N VAL A 16 12.780 0.531 -7.395 1.00 0.00 N ATOM 212 CA VAL A 16 12.461 -0.868 -7.171 1.00 0.00 C ATOM 213 C VAL A 16 10.955 -1.078 -7.350 1.00 0.00 C ATOM 214 O VAL A 16 10.152 -0.290 -6.853 1.00 0.00 O ATOM 215 CB VAL A 16 12.967 -1.307 -5.796 1.00 0.00 C ATOM 216 CG1 VAL A 16 14.329 -0.682 -5.488 1.00 0.00 C ATOM 217 CG2 VAL A 16 11.949 -0.971 -4.704 1.00 0.00 C ATOM 0 H VAL A 16 12.160 1.190 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 16 12.966 -1.497 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 16 13.092 -2.390 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 16 14.666 -1.010 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 16 15.051 -0.994 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 14.241 0.404 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.333 -1.294 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.777 0.105 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.010 -1.485 -4.911 1.00 0.00 H new ATOM 227 N LYS A 17 10.619 -2.145 -8.059 1.00 0.00 N ATOM 228 CA LYS A 17 9.225 -2.469 -8.309 1.00 0.00 C ATOM 229 C LYS A 17 8.751 -3.496 -7.279 1.00 0.00 C ATOM 230 O LYS A 17 9.238 -4.625 -7.254 1.00 0.00 O ATOM 231 CB LYS A 17 9.030 -2.918 -9.759 1.00 0.00 C ATOM 232 CG LYS A 17 7.574 -3.307 -10.022 1.00 0.00 C ATOM 233 CD LYS A 17 7.338 -4.787 -9.714 1.00 0.00 C ATOM 234 CE LYS A 17 5.958 -5.234 -10.201 1.00 0.00 C ATOM 235 NZ LYS A 17 5.636 -6.581 -9.678 1.00 0.00 N ATOM 0 H LYS A 17 11.288 -2.797 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 17 8.601 -1.583 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.323 -2.114 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.681 -3.766 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.914 -2.694 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.322 -3.104 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.110 -5.390 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.422 -4.957 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.202 -4.520 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.936 -5.246 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.178 -7.143 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.511 -7.055 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.992 -6.493 -8.866 1.00 0.00 H new ATOM 248 N VAL A 18 7.808 -3.067 -6.453 1.00 0.00 N ATOM 249 CA VAL A 18 7.264 -3.935 -5.423 1.00 0.00 C ATOM 250 C VAL A 18 6.594 -5.143 -6.082 1.00 0.00 C ATOM 251 O VAL A 18 5.703 -4.986 -6.914 1.00 0.00 O ATOM 252 CB VAL A 18 6.315 -3.145 -4.520 1.00 0.00 C ATOM 253 CG1 VAL A 18 5.723 -4.040 -3.429 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.021 -1.932 -3.911 1.00 0.00 C ATOM 0 H VAL A 18 7.407 -2.129 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 18 8.061 -4.313 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 18 5.493 -2.780 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.052 -3.453 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.167 -4.856 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.527 -4.449 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.324 -1.388 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.871 -2.266 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.371 -1.276 -4.708 1.00 0.00 H new ATOM 264 N LEU A 19 7.050 -6.322 -5.684 1.00 0.00 N ATOM 265 CA LEU A 19 6.507 -7.556 -6.225 1.00 0.00 C ATOM 266 C LEU A 19 5.506 -8.147 -5.230 1.00 0.00 C ATOM 267 O LEU A 19 4.518 -8.762 -5.628 1.00 0.00 O ATOM 268 CB LEU A 19 7.635 -8.516 -6.607 1.00 0.00 C ATOM 269 CG LEU A 19 8.315 -9.247 -5.448 1.00 0.00 C ATOM 270 CD1 LEU A 19 7.901 -10.719 -5.409 1.00 0.00 C ATOM 271 CD2 LEU A 19 9.835 -9.080 -5.511 1.00 0.00 C ATOM 0 H LEU A 19 7.790 -6.448 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 19 5.961 -7.360 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.234 -9.261 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.394 -7.955 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 19 7.980 -8.794 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.399 -11.215 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.821 -10.790 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.188 -11.203 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.294 -9.609 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.208 -9.490 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.087 -8.021 -5.452 1.00 0.00 H new ATOM 283 N GLU A 20 5.797 -7.941 -3.954 1.00 0.00 N ATOM 284 CA GLU A 20 4.936 -8.446 -2.898 1.00 0.00 C ATOM 285 C GLU A 20 4.778 -7.398 -1.795 1.00 0.00 C ATOM 286 O GLU A 20 5.601 -7.321 -0.884 1.00 0.00 O ATOM 287 CB GLU A 20 5.475 -9.761 -2.332 1.00 0.00 C ATOM 288 CG GLU A 20 4.886 -10.961 -3.076 1.00 0.00 C ATOM 289 CD GLU A 20 5.317 -12.276 -2.424 1.00 0.00 C ATOM 290 OE1 GLU A 20 6.296 -12.299 -1.664 1.00 0.00 O ATOM 291 OE2 GLU A 20 4.595 -13.299 -2.732 1.00 0.00 O ATOM 0 H GLU A 20 6.618 -7.431 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 20 3.953 -8.648 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.562 -9.777 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.232 -9.831 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.798 -10.893 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.211 -10.943 -4.116 1.00 0.00 H new ATOM 298 N GLU A 21 3.715 -6.616 -1.913 1.00 0.00 N ATOM 299 CA GLU A 21 3.438 -5.576 -0.937 1.00 0.00 C ATOM 300 C GLU A 21 3.666 -6.104 0.481 1.00 0.00 C ATOM 301 O GLU A 21 3.734 -7.314 0.693 1.00 0.00 O ATOM 302 CB GLU A 21 2.016 -5.035 -1.099 1.00 0.00 C ATOM 303 CG GLU A 21 0.983 -6.063 -0.632 1.00 0.00 C ATOM 304 CD GLU A 21 0.196 -6.626 -1.817 1.00 0.00 C ATOM 305 OE1 GLU A 21 -0.247 -5.861 -2.687 1.00 0.00 O ATOM 306 OE2 GLU A 21 0.051 -7.908 -1.815 1.00 0.00 O ATOM 0 H GLU A 21 3.035 -6.682 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 21 4.127 -4.750 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.905 -4.115 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.836 -4.782 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.485 -6.875 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.297 -5.599 0.077 1.00 0.00 H new ATOM 313 N GLY A 22 3.778 -5.172 1.415 1.00 0.00 N ATOM 314 CA GLY A 22 3.996 -5.528 2.807 1.00 0.00 C ATOM 315 C GLY A 22 3.712 -4.340 3.728 1.00 0.00 C ATOM 316 O GLY A 22 3.670 -3.197 3.278 1.00 0.00 O ATOM 0 H GLY A 22 3.722 -4.170 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.351 -6.364 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.025 -5.861 2.944 1.00 0.00 H new ATOM 320 N GLY A 23 3.525 -4.652 5.002 1.00 0.00 N ATOM 321 CA GLY A 23 3.247 -3.625 5.991 1.00 0.00 C ATOM 322 C GLY A 23 4.541 -2.987 6.499 1.00 0.00 C ATOM 323 O GLY A 23 4.843 -3.049 7.689 1.00 0.00 O ATOM 0 H GLY A 23 3.561 -5.602 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.607 -2.859 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.699 -4.059 6.827 1.00 0.00 H new ATOM 327 N GLY A 24 5.272 -2.388 5.570 1.00 0.00 N ATOM 328 CA GLY A 24 6.527 -1.739 5.908 1.00 0.00 C ATOM 329 C GLY A 24 6.916 -0.710 4.845 1.00 0.00 C ATOM 330 O GLY A 24 6.214 -0.545 3.848 1.00 0.00 O ATOM 0 H GLY A 24 5.019 -2.339 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.438 -1.249 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.314 -2.487 6.000 1.00 0.00 H new ATOM 334 N THR A 25 8.033 -0.043 5.093 1.00 0.00 N ATOM 335 CA THR A 25 8.524 0.967 4.170 1.00 0.00 C ATOM 336 C THR A 25 9.975 0.676 3.784 1.00 0.00 C ATOM 337 O THR A 25 10.673 -0.056 4.485 1.00 0.00 O ATOM 338 CB THR A 25 8.331 2.337 4.823 1.00 0.00 C ATOM 339 OG1 THR A 25 6.936 2.595 4.684 1.00 0.00 O ATOM 340 CG2 THR A 25 8.998 3.462 4.029 1.00 0.00 C ATOM 0 H THR A 25 8.613 -0.182 5.920 1.00 0.00 H new ATOM 0 HA THR A 25 7.964 0.955 3.235 1.00 0.00 H new ATOM 0 HB THR A 25 8.735 2.317 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.723 3.464 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.831 4.413 4.535 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.069 3.272 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.570 3.504 3.028 1.00 0.00 H new ATOM 348 N LEU A 26 10.387 1.265 2.672 1.00 0.00 N ATOM 349 CA LEU A 26 11.743 1.079 2.184 1.00 0.00 C ATOM 350 C LEU A 26 12.560 2.343 2.464 1.00 0.00 C ATOM 351 O LEU A 26 12.750 3.173 1.576 1.00 0.00 O ATOM 352 CB LEU A 26 11.731 0.669 0.710 1.00 0.00 C ATOM 353 CG LEU A 26 10.625 -0.302 0.293 1.00 0.00 C ATOM 354 CD1 LEU A 26 10.320 -0.178 -1.201 1.00 0.00 C ATOM 355 CD2 LEU A 26 10.977 -1.737 0.689 1.00 0.00 C ATOM 0 H LEU A 26 9.805 1.872 2.094 1.00 0.00 H new ATOM 0 HA LEU A 26 12.229 0.260 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.644 1.570 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.693 0.216 0.471 1.00 0.00 H new ATOM 0 HG LEU A 26 9.715 -0.034 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.530 -0.879 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.994 0.838 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.218 -0.404 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.174 -2.407 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.904 -2.033 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.104 -1.795 1.770 1.00 0.00 H new ATOM 367 N VAL A 27 13.020 2.449 3.702 1.00 0.00 N ATOM 368 CA VAL A 27 13.812 3.597 4.109 1.00 0.00 C ATOM 369 C VAL A 27 15.219 3.475 3.523 1.00 0.00 C ATOM 370 O VAL A 27 16.019 2.663 3.984 1.00 0.00 O ATOM 371 CB VAL A 27 13.808 3.720 5.635 1.00 0.00 C ATOM 372 CG1 VAL A 27 14.733 4.849 6.096 1.00 0.00 C ATOM 373 CG2 VAL A 27 12.387 3.924 6.165 1.00 0.00 C ATOM 0 H VAL A 27 12.859 1.759 4.436 1.00 0.00 H new ATOM 0 HA VAL A 27 13.378 4.518 3.720 1.00 0.00 H new ATOM 0 HB VAL A 27 14.188 2.786 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.712 4.915 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.751 4.644 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.396 5.793 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.412 4.008 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.968 4.836 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.767 3.073 5.882 1.00 0.00 H new ATOM 383 N CYS A 28 15.479 4.295 2.515 1.00 0.00 N ATOM 384 CA CYS A 28 16.776 4.290 1.861 1.00 0.00 C ATOM 385 C CYS A 28 17.393 5.683 2.004 1.00 0.00 C ATOM 386 O CYS A 28 16.710 6.689 1.820 1.00 0.00 O ATOM 387 CB CYS A 28 16.669 3.861 0.396 1.00 0.00 C ATOM 388 SG CYS A 28 18.269 3.506 -0.418 1.00 0.00 S ATOM 0 H CYS A 28 14.813 4.968 2.135 1.00 0.00 H new ATOM 0 HA CYS A 28 17.424 3.556 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.042 2.971 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.160 4.647 -0.162 1.00 0.00 H new ATOM 393 N CYS A 29 18.677 5.696 2.331 1.00 0.00 N ATOM 394 CA CYS A 29 19.393 6.949 2.501 1.00 0.00 C ATOM 395 C CYS A 29 18.737 7.726 3.644 1.00 0.00 C ATOM 396 O CYS A 29 18.750 8.956 3.651 1.00 0.00 O ATOM 397 CB CYS A 29 19.427 7.761 1.205 1.00 0.00 C ATOM 398 SG CYS A 29 20.542 7.098 -0.087 1.00 0.00 S ATOM 0 H CYS A 29 19.240 4.859 2.483 1.00 0.00 H new ATOM 0 HA CYS A 29 20.434 6.745 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 29 18.416 7.815 0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 29 19.732 8.781 1.440 1.00 0.00 H new ATOM 403 N GLY A 30 18.178 6.976 4.583 1.00 0.00 N ATOM 404 CA GLY A 30 17.518 7.579 5.728 1.00 0.00 C ATOM 405 C GLY A 30 16.269 8.350 5.298 1.00 0.00 C ATOM 406 O GLY A 30 15.846 9.284 5.978 1.00 0.00 O ATOM 0 H GLY A 30 18.169 5.956 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.243 6.804 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.208 8.252 6.237 1.00 0.00 H new ATOM 410 N GLU A 31 15.712 7.929 4.172 1.00 0.00 N ATOM 411 CA GLU A 31 14.519 8.569 3.643 1.00 0.00 C ATOM 412 C GLU A 31 13.579 7.522 3.041 1.00 0.00 C ATOM 413 O GLU A 31 13.976 6.759 2.161 1.00 0.00 O ATOM 414 CB GLU A 31 14.882 9.638 2.611 1.00 0.00 C ATOM 415 CG GLU A 31 13.948 10.846 2.722 1.00 0.00 C ATOM 416 CD GLU A 31 13.463 11.292 1.341 1.00 0.00 C ATOM 417 OE1 GLU A 31 12.761 10.533 0.655 1.00 0.00 O ATOM 418 OE2 GLU A 31 13.838 12.474 0.986 1.00 0.00 O ATOM 0 H GLU A 31 16.064 7.153 3.611 1.00 0.00 H new ATOM 0 HA GLU A 31 14.001 9.065 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.914 9.957 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.820 9.216 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.092 10.592 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.468 11.669 3.212 1.00 0.00 H new ATOM 425 N ASP A 32 12.351 7.520 3.538 1.00 0.00 N ATOM 426 CA ASP A 32 11.351 6.580 3.060 1.00 0.00 C ATOM 427 C ASP A 32 11.135 6.792 1.560 1.00 0.00 C ATOM 428 O ASP A 32 10.607 7.822 1.144 1.00 0.00 O ATOM 429 CB ASP A 32 10.011 6.795 3.766 1.00 0.00 C ATOM 430 CG ASP A 32 9.396 8.183 3.577 1.00 0.00 C ATOM 431 OD1 ASP A 32 9.770 9.067 4.440 1.00 0.00 O ATOM 432 OD2 ASP A 32 8.600 8.409 2.654 1.00 0.00 O ATOM 0 H ASP A 32 12.025 8.155 4.267 1.00 0.00 H new ATOM 0 HA ASP A 32 11.709 5.572 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.303 6.048 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.147 6.616 4.833 1.00 0.00 H new ATOM 437 N MET A 33 11.554 5.799 0.789 1.00 0.00 N ATOM 438 CA MET A 33 11.413 5.863 -0.656 1.00 0.00 C ATOM 439 C MET A 33 10.018 6.355 -1.049 1.00 0.00 C ATOM 440 O MET A 33 9.042 6.087 -0.351 1.00 0.00 O ATOM 441 CB MET A 33 11.653 4.476 -1.255 1.00 0.00 C ATOM 442 CG MET A 33 12.395 4.576 -2.589 1.00 0.00 C ATOM 443 SD MET A 33 13.864 3.563 -2.548 1.00 0.00 S ATOM 444 CE MET A 33 13.179 2.002 -3.077 1.00 0.00 C ATOM 0 H MET A 33 11.991 4.946 1.138 1.00 0.00 H new ATOM 0 HA MET A 33 12.149 6.567 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 33 12.231 3.870 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.699 3.970 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 33 11.744 4.254 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 33 12.664 5.613 -2.788 1.00 0.00 H new ATOM 0 HE1 MET A 33 13.988 1.299 -3.278 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.537 1.602 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.593 2.150 -3.984 1.00 0.00 H new ATOM 454 N VAL A 34 9.969 7.065 -2.167 1.00 0.00 N ATOM 455 CA VAL A 34 8.710 7.596 -2.661 1.00 0.00 C ATOM 456 C VAL A 34 8.154 6.660 -3.736 1.00 0.00 C ATOM 457 O VAL A 34 8.887 5.847 -4.296 1.00 0.00 O ATOM 458 CB VAL A 34 8.906 9.029 -3.160 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.861 9.801 -2.247 1.00 0.00 C ATOM 460 CG2 VAL A 34 9.401 9.043 -4.607 1.00 0.00 C ATOM 0 H VAL A 34 10.781 7.285 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 34 7.974 7.643 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 34 7.938 9.529 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.983 10.816 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.451 9.835 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.830 9.302 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.532 10.074 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.354 8.518 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.670 8.548 -5.246 1.00 0.00 H new ATOM 470 N LYS A 35 6.862 6.807 -3.992 1.00 0.00 N ATOM 471 CA LYS A 35 6.199 5.985 -4.990 1.00 0.00 C ATOM 472 C LYS A 35 6.285 6.675 -6.353 1.00 0.00 C ATOM 473 O LYS A 35 6.305 7.903 -6.430 1.00 0.00 O ATOM 474 CB LYS A 35 4.769 5.662 -4.554 1.00 0.00 C ATOM 475 CG LYS A 35 4.436 4.191 -4.812 1.00 0.00 C ATOM 476 CD LYS A 35 4.790 3.327 -3.599 1.00 0.00 C ATOM 477 CE LYS A 35 3.539 2.681 -3.002 1.00 0.00 C ATOM 478 NZ LYS A 35 2.866 3.616 -2.073 1.00 0.00 N ATOM 0 H LYS A 35 6.257 7.483 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 35 6.703 5.024 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.649 5.885 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.068 6.298 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.375 4.089 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.983 3.838 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.498 2.552 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.283 3.939 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.854 2.396 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.811 1.767 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.000 3.174 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.505 3.841 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.619 4.491 -2.579 1.00 0.00 H new ATOM 491 N GLN A 36 6.334 5.857 -7.393 1.00 0.00 N ATOM 492 CA GLN A 36 6.417 6.374 -8.749 1.00 0.00 C ATOM 493 C GLN A 36 5.183 5.957 -9.552 1.00 0.00 C ATOM 494 O GLN A 36 4.153 6.628 -9.507 1.00 0.00 O ATOM 495 CB GLN A 36 7.702 5.907 -9.435 1.00 0.00 C ATOM 496 CG GLN A 36 8.918 6.132 -8.535 1.00 0.00 C ATOM 497 CD GLN A 36 9.365 7.595 -8.572 1.00 0.00 C ATOM 498 OE1 GLN A 36 10.170 8.004 -9.393 1.00 0.00 O ATOM 499 NE2 GLN A 36 8.799 8.357 -7.641 1.00 0.00 N ATOM 0 H GLN A 36 6.318 4.839 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 36 6.444 7.463 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.621 4.849 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.834 6.447 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.674 5.848 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.737 5.489 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.133 7.950 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.031 9.349 -7.583 1.00 0.00 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 21.552 -1.171 -5.288 1.00 0.00 N ATOM 510 CA ALA B 1 22.365 -2.335 -4.981 1.00 0.00 C ATOM 511 C ALA B 1 22.895 -2.939 -6.282 1.00 0.00 C ATOM 512 O ALA B 1 24.099 -2.921 -6.534 1.00 0.00 O ATOM 513 CB ALA B 1 21.540 -3.334 -4.167 1.00 0.00 C ATOM 0 H1 ALA B 1 21.777 -0.405 -4.622 1.00 0.00 H new ATOM 0 H2 ALA B 1 21.750 -0.855 -6.259 1.00 0.00 H new ATOM 0 H3 ALA B 1 20.545 -1.419 -5.203 1.00 0.00 H new ATOM 0 HA ALA B 1 23.226 -2.053 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA B 1 22.150 -4.207 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA B 1 21.213 -2.865 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA B 1 20.669 -3.642 -4.745 1.00 0.00 H new ATOM 519 N ASN B 2 21.970 -3.461 -7.075 1.00 0.00 N ATOM 520 CA ASN B 2 22.329 -4.070 -8.344 1.00 0.00 C ATOM 521 C ASN B 2 21.055 -4.448 -9.102 1.00 0.00 C ATOM 522 O ASN B 2 20.315 -5.333 -8.677 1.00 0.00 O ATOM 523 CB ASN B 2 23.148 -5.344 -8.132 1.00 0.00 C ATOM 524 CG ASN B 2 24.644 -5.029 -8.059 1.00 0.00 C ATOM 525 OD1 ASN B 2 25.213 -4.390 -8.929 1.00 0.00 O ATOM 526 ND2 ASN B 2 25.246 -5.512 -6.976 1.00 0.00 N ATOM 0 H ASN B 2 20.972 -3.474 -6.863 1.00 0.00 H new ATOM 0 HA ASN B 2 22.922 -3.350 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN B 2 22.831 -5.835 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN B 2 22.959 -6.042 -8.948 1.00 0.00 H new ATOM 0 HD21 ASN B 2 26.244 -5.356 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN B 2 24.710 -6.039 -6.287 1.00 0.00 H new ATOM 533 N GLU B 3 20.838 -3.757 -10.212 1.00 0.00 N ATOM 534 CA GLU B 3 19.666 -4.010 -11.033 1.00 0.00 C ATOM 535 C GLU B 3 19.419 -5.514 -11.158 1.00 0.00 C ATOM 536 O GLU B 3 20.356 -6.309 -11.087 1.00 0.00 O ATOM 537 CB GLU B 3 19.813 -3.362 -12.411 1.00 0.00 C ATOM 538 CG GLU B 3 19.799 -1.835 -12.304 1.00 0.00 C ATOM 539 CD GLU B 3 19.831 -1.188 -13.690 1.00 0.00 C ATOM 540 OE1 GLU B 3 19.523 -1.852 -14.691 1.00 0.00 O ATOM 541 OE2 GLU B 3 20.190 0.051 -13.705 1.00 0.00 O ATOM 0 H GLU B 3 21.454 -3.023 -10.562 1.00 0.00 H new ATOM 0 HA GLU B 3 18.801 -3.560 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU B 3 20.744 -3.689 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU B 3 19.002 -3.692 -13.060 1.00 0.00 H new ATOM 0 HG2 GLU B 3 18.906 -1.513 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU B 3 20.658 -1.500 -11.722 1.00 0.00 H new ATOM 548 N GLY B 4 18.154 -5.861 -11.343 1.00 0.00 N ATOM 549 CA GLY B 4 17.772 -7.256 -11.479 1.00 0.00 C ATOM 550 C GLY B 4 17.956 -8.006 -10.158 1.00 0.00 C ATOM 551 O GLY B 4 18.280 -9.193 -10.153 1.00 0.00 O ATOM 0 H GLY B 4 17.380 -5.199 -11.402 1.00 0.00 H new ATOM 0 HA2 GLY B 4 16.732 -7.323 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY B 4 18.374 -7.728 -12.256 1.00 0.00 H new ATOM 555 N ASP B 5 17.742 -7.282 -9.069 1.00 0.00 N ATOM 556 CA ASP B 5 17.881 -7.864 -7.744 1.00 0.00 C ATOM 557 C ASP B 5 16.514 -7.890 -7.058 1.00 0.00 C ATOM 558 O ASP B 5 15.568 -7.258 -7.526 1.00 0.00 O ATOM 559 CB ASP B 5 18.830 -7.037 -6.876 1.00 0.00 C ATOM 560 CG ASP B 5 20.284 -7.515 -6.870 1.00 0.00 C ATOM 561 OD1 ASP B 5 20.781 -7.760 -8.035 1.00 0.00 O ATOM 562 OD2 ASP B 5 20.909 -7.646 -5.807 1.00 0.00 O ATOM 0 H ASP B 5 17.473 -6.298 -9.077 1.00 0.00 H new ATOM 0 HA ASP B 5 18.283 -8.871 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP B 5 18.805 -6.003 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP B 5 18.458 -7.041 -5.852 1.00 0.00 H new ATOM 567 N VAL B 6 16.453 -8.627 -5.959 1.00 0.00 N ATOM 568 CA VAL B 6 15.217 -8.743 -5.203 1.00 0.00 C ATOM 569 C VAL B 6 15.523 -8.609 -3.710 1.00 0.00 C ATOM 570 O VAL B 6 16.457 -9.230 -3.206 1.00 0.00 O ATOM 571 CB VAL B 6 14.511 -10.055 -5.554 1.00 0.00 C ATOM 572 CG1 VAL B 6 13.606 -10.513 -4.408 1.00 0.00 C ATOM 573 CG2 VAL B 6 13.720 -9.920 -6.857 1.00 0.00 C ATOM 0 H VAL B 6 17.239 -9.150 -5.574 1.00 0.00 H new ATOM 0 HA VAL B 6 14.530 -7.939 -5.467 1.00 0.00 H new ATOM 0 HB VAL B 6 15.275 -10.818 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL B 6 13.116 -11.447 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.205 -10.667 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL B 6 12.851 -9.751 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL B 6 13.228 -10.866 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL B 6 12.969 -9.138 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL B 6 14.399 -9.660 -7.669 1.00 0.00 H new ATOM 583 N TYR B 7 14.717 -7.795 -3.044 1.00 0.00 N ATOM 584 CA TYR B 7 14.889 -7.572 -1.619 1.00 0.00 C ATOM 585 C TYR B 7 13.615 -7.927 -0.850 1.00 0.00 C ATOM 586 O TYR B 7 12.548 -7.381 -1.124 1.00 0.00 O ATOM 587 CB TYR B 7 15.168 -6.076 -1.457 1.00 0.00 C ATOM 588 CG TYR B 7 16.655 -5.714 -1.483 1.00 0.00 C ATOM 589 CD1 TYR B 7 17.428 -5.893 -0.354 1.00 0.00 C ATOM 590 CD2 TYR B 7 17.222 -5.209 -2.635 1.00 0.00 C ATOM 591 CE1 TYR B 7 18.827 -5.552 -0.378 1.00 0.00 C ATOM 592 CE2 TYR B 7 18.621 -4.868 -2.659 1.00 0.00 C ATOM 593 CZ TYR B 7 19.354 -5.056 -1.529 1.00 0.00 C ATOM 594 OH TYR B 7 20.675 -4.734 -1.552 1.00 0.00 O ATOM 0 H TYR B 7 13.943 -7.282 -3.465 1.00 0.00 H new ATOM 0 HA TYR B 7 15.695 -8.193 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR B 7 14.658 -5.533 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR B 7 14.738 -5.737 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR B 7 16.984 -6.289 0.547 1.00 0.00 H new ATOM 0 HD2 TYR B 7 16.617 -5.069 -3.519 1.00 0.00 H new ATOM 0 HE1 TYR B 7 19.444 -5.687 0.498 1.00 0.00 H new ATOM 0 HE2 TYR B 7 19.078 -4.472 -3.554 1.00 0.00 H new ATOM 0 HH TYR B 7 21.130 -5.268 -2.237 1.00 0.00 H new ATOM 604 N LYS B 8 13.769 -8.841 0.097 1.00 0.00 N ATOM 605 CA LYS B 8 12.644 -9.275 0.907 1.00 0.00 C ATOM 606 C LYS B 8 12.889 -8.882 2.366 1.00 0.00 C ATOM 607 O LYS B 8 13.990 -9.061 2.884 1.00 0.00 O ATOM 608 CB LYS B 8 12.387 -10.770 0.709 1.00 0.00 C ATOM 609 CG LYS B 8 11.303 -11.272 1.666 1.00 0.00 C ATOM 610 CD LYS B 8 11.923 -11.974 2.876 1.00 0.00 C ATOM 611 CE LYS B 8 12.141 -13.462 2.594 1.00 0.00 C ATOM 612 NZ LYS B 8 13.563 -13.727 2.278 1.00 0.00 N ATOM 0 H LYS B 8 14.656 -9.293 0.321 1.00 0.00 H new ATOM 0 HA LYS B 8 11.730 -8.772 0.590 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.083 -10.957 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS B 8 13.310 -11.326 0.875 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.692 -10.434 2.001 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.640 -11.960 1.142 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.874 -11.504 3.125 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.272 -11.856 3.742 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.839 -14.050 3.460 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.512 -13.776 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.633 -14.179 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.090 -12.830 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.967 -14.358 2.999 1.00 0.00 H new ATOM 625 N CYS B 9 11.845 -8.353 2.986 1.00 0.00 N ATOM 626 CA CYS B 9 11.933 -7.932 4.374 1.00 0.00 C ATOM 627 C CYS B 9 11.774 -9.168 5.261 1.00 0.00 C ATOM 628 O CYS B 9 10.976 -10.055 4.960 1.00 0.00 O ATOM 629 CB CYS B 9 10.898 -6.855 4.705 1.00 0.00 C ATOM 630 SG CYS B 9 11.030 -6.158 6.394 1.00 0.00 S ATOM 0 H CYS B 9 10.933 -8.206 2.553 1.00 0.00 H new ATOM 0 HA CYS B 9 12.906 -7.476 4.558 1.00 0.00 H new ATOM 0 HB2 CYS B 9 10.995 -6.044 3.984 1.00 0.00 H new ATOM 0 HB3 CYS B 9 9.901 -7.277 4.578 1.00 0.00 H new ATOM 635 N GLU B 10 12.546 -9.188 6.338 1.00 0.00 N ATOM 636 CA GLU B 10 12.501 -10.301 7.271 1.00 0.00 C ATOM 637 C GLU B 10 11.617 -9.952 8.470 1.00 0.00 C ATOM 638 O GLU B 10 11.832 -10.456 9.572 1.00 0.00 O ATOM 639 CB GLU B 10 13.908 -10.695 7.724 1.00 0.00 C ATOM 640 CG GLU B 10 14.524 -11.720 6.770 1.00 0.00 C ATOM 641 CD GLU B 10 14.265 -13.147 7.257 1.00 0.00 C ATOM 642 OE1 GLU B 10 13.942 -13.350 8.437 1.00 0.00 O ATOM 643 OE2 GLU B 10 14.410 -14.064 6.361 1.00 0.00 O ATOM 0 H GLU B 10 13.206 -8.451 6.585 1.00 0.00 H new ATOM 0 HA GLU B 10 12.066 -11.160 6.760 1.00 0.00 H new ATOM 0 HB2 GLU B 10 14.541 -9.809 7.769 1.00 0.00 H new ATOM 0 HB3 GLU B 10 13.867 -11.109 8.731 1.00 0.00 H new ATOM 0 HG2 GLU B 10 14.105 -11.591 5.772 1.00 0.00 H new ATOM 0 HG3 GLU B 10 15.597 -11.548 6.690 1.00 0.00 H new ATOM 650 N LEU B 11 10.641 -9.093 8.216 1.00 0.00 N ATOM 651 CA LEU B 11 9.724 -8.671 9.260 1.00 0.00 C ATOM 652 C LEU B 11 8.285 -8.810 8.757 1.00 0.00 C ATOM 653 O LEU B 11 7.518 -9.619 9.276 1.00 0.00 O ATOM 654 CB LEU B 11 10.072 -7.262 9.743 1.00 0.00 C ATOM 655 CG LEU B 11 10.909 -7.178 11.021 1.00 0.00 C ATOM 656 CD1 LEU B 11 12.219 -6.428 10.771 1.00 0.00 C ATOM 657 CD2 LEU B 11 10.103 -6.559 12.165 1.00 0.00 C ATOM 0 H LEU B 11 10.465 -8.678 7.301 1.00 0.00 H new ATOM 0 HA LEU B 11 9.821 -9.315 10.134 1.00 0.00 H new ATOM 0 HB2 LEU B 11 10.610 -6.749 8.946 1.00 0.00 H new ATOM 0 HB3 LEU B 11 9.143 -6.715 9.904 1.00 0.00 H new ATOM 0 HG LEU B 11 11.172 -8.192 11.324 1.00 0.00 H new ATOM 0 HD11 LEU B 11 12.795 -6.383 11.696 1.00 0.00 H new ATOM 0 HD12 LEU B 11 12.797 -6.950 10.009 1.00 0.00 H new ATOM 0 HD13 LEU B 11 12.000 -5.416 10.430 1.00 0.00 H new ATOM 0 HD21 LEU B 11 10.721 -6.511 13.061 1.00 0.00 H new ATOM 0 HD22 LEU B 11 9.789 -5.553 11.886 1.00 0.00 H new ATOM 0 HD23 LEU B 11 9.223 -7.171 12.363 1.00 0.00 H new ATOM 669 N CYS B 12 7.964 -8.009 7.752 1.00 0.00 N ATOM 670 CA CYS B 12 6.631 -8.033 7.173 1.00 0.00 C ATOM 671 C CYS B 12 6.611 -9.080 6.058 1.00 0.00 C ATOM 672 O CYS B 12 5.701 -9.906 5.993 1.00 0.00 O ATOM 673 CB CYS B 12 6.210 -6.652 6.667 1.00 0.00 C ATOM 674 SG CYS B 12 7.397 -5.859 5.522 1.00 0.00 S ATOM 0 H CYS B 12 8.603 -7.339 7.324 1.00 0.00 H new ATOM 0 HA CYS B 12 5.904 -8.305 7.938 1.00 0.00 H new ATOM 0 HB2 CYS B 12 5.247 -6.743 6.164 1.00 0.00 H new ATOM 0 HB3 CYS B 12 6.061 -5.996 7.525 1.00 0.00 H new ATOM 679 N GLY B 13 7.625 -9.013 5.208 1.00 0.00 N ATOM 680 CA GLY B 13 7.734 -9.945 4.099 1.00 0.00 C ATOM 681 C GLY B 13 7.548 -9.229 2.760 1.00 0.00 C ATOM 682 O GLY B 13 7.082 -9.827 1.791 1.00 0.00 O ATOM 0 H GLY B 13 8.378 -8.328 5.265 1.00 0.00 H new ATOM 0 HA2 GLY B 13 8.709 -10.431 4.123 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.984 -10.729 4.203 1.00 0.00 H new ATOM 686 N GLN B 14 7.921 -7.958 2.748 1.00 0.00 N ATOM 687 CA GLN B 14 7.801 -7.153 1.544 1.00 0.00 C ATOM 688 C GLN B 14 8.937 -7.479 0.572 1.00 0.00 C ATOM 689 O GLN B 14 10.111 -7.352 0.919 1.00 0.00 O ATOM 690 CB GLN B 14 7.779 -5.661 1.881 1.00 0.00 C ATOM 691 CG GLN B 14 7.757 -4.812 0.609 1.00 0.00 C ATOM 692 CD GLN B 14 7.058 -3.473 0.855 1.00 0.00 C ATOM 693 OE1 GLN B 14 6.094 -3.117 0.197 1.00 0.00 O ATOM 694 NE2 GLN B 14 7.596 -2.754 1.836 1.00 0.00 N ATOM 0 H GLN B 14 8.307 -7.465 3.553 1.00 0.00 H new ATOM 0 HA GLN B 14 6.855 -7.396 1.061 1.00 0.00 H new ATOM 0 HB2 GLN B 14 6.903 -5.435 2.489 1.00 0.00 H new ATOM 0 HB3 GLN B 14 8.655 -5.406 2.477 1.00 0.00 H new ATOM 0 HG2 GLN B 14 8.777 -4.636 0.267 1.00 0.00 H new ATOM 0 HG3 GLN B 14 7.243 -5.354 -0.185 1.00 0.00 H new ATOM 0 HE21 GLN B 14 8.403 -3.112 2.347 1.00 0.00 H new ATOM 0 HE22 GLN B 14 7.202 -1.845 2.077 1.00 0.00 H new ATOM 703 N VAL B 15 8.549 -7.893 -0.625 1.00 0.00 N ATOM 704 CA VAL B 15 9.521 -8.238 -1.649 1.00 0.00 C ATOM 705 C VAL B 15 9.425 -7.230 -2.796 1.00 0.00 C ATOM 706 O VAL B 15 8.342 -6.990 -3.328 1.00 0.00 O ATOM 707 CB VAL B 15 9.310 -9.683 -2.104 1.00 0.00 C ATOM 708 CG1 VAL B 15 10.548 -10.215 -2.830 1.00 0.00 C ATOM 709 CG2 VAL B 15 8.940 -10.582 -0.922 1.00 0.00 C ATOM 0 H VAL B 15 7.575 -7.997 -0.909 1.00 0.00 H new ATOM 0 HA VAL B 15 10.534 -8.181 -1.250 1.00 0.00 H new ATOM 0 HB VAL B 15 8.477 -9.694 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL B 15 10.372 -11.244 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.749 -9.598 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL B 15 11.406 -10.182 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL B 15 8.796 -11.604 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL B 15 9.742 -10.562 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL B 15 8.018 -10.222 -0.465 1.00 0.00 H new ATOM 719 N VAL B 16 10.573 -6.667 -3.144 1.00 0.00 N ATOM 720 CA VAL B 16 10.633 -5.691 -4.219 1.00 0.00 C ATOM 721 C VAL B 16 11.803 -6.029 -5.145 1.00 0.00 C ATOM 722 O VAL B 16 12.896 -6.348 -4.679 1.00 0.00 O ATOM 723 CB VAL B 16 10.719 -4.278 -3.638 1.00 0.00 C ATOM 724 CG1 VAL B 16 9.701 -4.085 -2.512 1.00 0.00 C ATOM 725 CG2 VAL B 16 12.137 -3.970 -3.153 1.00 0.00 C ATOM 0 H VAL B 16 11.469 -6.868 -2.700 1.00 0.00 H new ATOM 0 HA VAL B 16 9.724 -5.727 -4.819 1.00 0.00 H new ATOM 0 HB VAL B 16 10.476 -3.574 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.783 -3.073 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.695 -4.242 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.899 -4.803 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL B 16 12.171 -2.960 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.420 -4.684 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.832 -4.047 -3.989 1.00 0.00 H new ATOM 735 N LYS B 17 11.533 -5.948 -6.440 1.00 0.00 N ATOM 736 CA LYS B 17 12.550 -6.242 -7.435 1.00 0.00 C ATOM 737 C LYS B 17 13.160 -4.931 -7.936 1.00 0.00 C ATOM 738 O LYS B 17 12.488 -4.142 -8.597 1.00 0.00 O ATOM 739 CB LYS B 17 11.972 -7.117 -8.549 1.00 0.00 C ATOM 740 CG LYS B 17 13.010 -7.365 -9.646 1.00 0.00 C ATOM 741 CD LYS B 17 12.982 -6.247 -10.690 1.00 0.00 C ATOM 742 CE LYS B 17 13.712 -6.671 -11.967 1.00 0.00 C ATOM 743 NZ LYS B 17 12.742 -6.942 -13.052 1.00 0.00 N ATOM 0 H LYS B 17 10.625 -5.683 -6.823 1.00 0.00 H new ATOM 0 HA LYS B 17 13.360 -6.823 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS B 17 11.642 -8.069 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS B 17 11.094 -6.634 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS B 17 14.004 -7.429 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.813 -8.323 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.949 -5.990 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.448 -5.351 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS B 17 14.403 -5.886 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS B 17 14.309 -7.562 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 13.253 -7.228 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 12.100 -7.706 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 12.191 -6.082 -13.248 1.00 0.00 H new ATOM 756 N VAL B 18 14.429 -4.741 -7.602 1.00 0.00 N ATOM 757 CA VAL B 18 15.137 -3.540 -8.010 1.00 0.00 C ATOM 758 C VAL B 18 15.344 -3.564 -9.526 1.00 0.00 C ATOM 759 O VAL B 18 15.884 -4.528 -10.067 1.00 0.00 O ATOM 760 CB VAL B 18 16.448 -3.415 -7.230 1.00 0.00 C ATOM 761 CG1 VAL B 18 17.265 -2.217 -7.719 1.00 0.00 C ATOM 762 CG2 VAL B 18 16.184 -3.322 -5.726 1.00 0.00 C ATOM 0 H VAL B 18 14.984 -5.398 -7.054 1.00 0.00 H new ATOM 0 HA VAL B 18 14.549 -2.653 -7.776 1.00 0.00 H new ATOM 0 HB VAL B 18 17.034 -4.316 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL B 18 18.191 -2.151 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL B 18 17.498 -2.343 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL B 18 16.688 -1.303 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL B 18 17.132 -3.234 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.569 -2.447 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL B 18 15.663 -4.219 -5.392 1.00 0.00 H new ATOM 772 N LEU B 19 14.902 -2.493 -10.169 1.00 0.00 N ATOM 773 CA LEU B 19 15.031 -2.380 -11.611 1.00 0.00 C ATOM 774 C LEU B 19 16.009 -1.251 -11.944 1.00 0.00 C ATOM 775 O LEU B 19 16.402 -1.085 -13.098 1.00 0.00 O ATOM 776 CB LEU B 19 13.656 -2.214 -12.261 1.00 0.00 C ATOM 777 CG LEU B 19 12.833 -1.012 -11.793 1.00 0.00 C ATOM 778 CD1 LEU B 19 12.239 -1.262 -10.405 1.00 0.00 C ATOM 779 CD2 LEU B 19 13.664 0.272 -11.838 1.00 0.00 C ATOM 0 H LEU B 19 14.454 -1.696 -9.717 1.00 0.00 H new ATOM 0 HA LEU B 19 15.447 -3.297 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU B 19 13.793 -2.137 -13.340 1.00 0.00 H new ATOM 0 HB3 LEU B 19 13.077 -3.119 -12.077 1.00 0.00 H new ATOM 0 HG LEU B 19 11.999 -0.880 -12.482 1.00 0.00 H new ATOM 0 HD11 LEU B 19 11.659 -0.393 -10.096 1.00 0.00 H new ATOM 0 HD12 LEU B 19 11.591 -2.138 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU B 19 13.044 -1.434 -9.690 1.00 0.00 H new ATOM 0 HD21 LEU B 19 13.056 1.111 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU B 19 14.531 0.167 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU B 19 13.998 0.454 -12.860 1.00 0.00 H new ATOM 791 N GLU B 20 16.374 -0.504 -10.913 1.00 0.00 N ATOM 792 CA GLU B 20 17.298 0.604 -11.081 1.00 0.00 C ATOM 793 C GLU B 20 18.128 0.801 -9.811 1.00 0.00 C ATOM 794 O GLU B 20 17.648 1.373 -8.834 1.00 0.00 O ATOM 795 CB GLU B 20 16.553 1.888 -11.453 1.00 0.00 C ATOM 796 CG GLU B 20 17.468 2.852 -12.211 1.00 0.00 C ATOM 797 CD GLU B 20 16.709 3.555 -13.339 1.00 0.00 C ATOM 798 OE1 GLU B 20 15.642 3.082 -13.756 1.00 0.00 O ATOM 799 OE2 GLU B 20 17.267 4.630 -13.784 1.00 0.00 O ATOM 0 H GLU B 20 16.046 -0.645 -9.957 1.00 0.00 H new ATOM 0 HA GLU B 20 17.975 0.365 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU B 20 15.686 1.645 -12.067 1.00 0.00 H new ATOM 0 HB3 GLU B 20 16.179 2.370 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU B 20 17.872 3.594 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU B 20 18.316 2.306 -12.624 1.00 0.00 H new ATOM 806 N GLU B 21 19.360 0.315 -9.866 1.00 0.00 N ATOM 807 CA GLU B 21 20.261 0.430 -8.732 1.00 0.00 C ATOM 808 C GLU B 21 20.544 1.903 -8.426 1.00 0.00 C ATOM 809 O GLU B 21 20.412 2.759 -9.300 1.00 0.00 O ATOM 810 CB GLU B 21 21.561 -0.336 -8.985 1.00 0.00 C ATOM 811 CG GLU B 21 22.414 0.365 -10.044 1.00 0.00 C ATOM 812 CD GLU B 21 23.663 -0.455 -10.373 1.00 0.00 C ATOM 813 OE1 GLU B 21 23.703 -1.662 -10.095 1.00 0.00 O ATOM 814 OE2 GLU B 21 24.615 0.206 -10.940 1.00 0.00 O ATOM 0 H GLU B 21 19.755 -0.159 -10.678 1.00 0.00 H new ATOM 0 HA GLU B 21 19.778 -0.016 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU B 21 22.125 -0.419 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU B 21 21.332 -1.351 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU B 21 21.825 0.516 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU B 21 22.707 1.352 -9.686 1.00 0.00 H new ATOM 821 N GLY B 22 20.927 2.152 -7.183 1.00 0.00 N ATOM 822 CA GLY B 22 21.229 3.506 -6.750 1.00 0.00 C ATOM 823 C GLY B 22 22.528 3.547 -5.943 1.00 0.00 C ATOM 824 O GLY B 22 23.618 3.474 -6.510 1.00 0.00 O ATOM 0 H GLY B 22 21.035 1.439 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY B 22 21.316 4.159 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY B 22 20.408 3.889 -6.144 1.00 0.00 H new ATOM 828 N GLY B 23 22.370 3.664 -4.633 1.00 0.00 N ATOM 829 CA GLY B 23 23.517 3.715 -3.743 1.00 0.00 C ATOM 830 C GLY B 23 23.073 3.786 -2.280 1.00 0.00 C ATOM 831 O GLY B 23 23.594 4.589 -1.508 1.00 0.00 O ATOM 0 H GLY B 23 21.465 3.725 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY B 23 24.140 2.833 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY B 23 24.130 4.584 -3.983 1.00 0.00 H new ATOM 835 N GLY B 24 22.116 2.933 -1.944 1.00 0.00 N ATOM 836 CA GLY B 24 21.596 2.889 -0.588 1.00 0.00 C ATOM 837 C GLY B 24 20.987 1.520 -0.279 1.00 0.00 C ATOM 838 O GLY B 24 21.181 0.566 -1.031 1.00 0.00 O ATOM 0 H GLY B 24 21.688 2.267 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY B 24 22.397 3.103 0.120 1.00 0.00 H new ATOM 0 HA3 GLY B 24 20.841 3.665 -0.459 1.00 0.00 H new ATOM 842 N THR B 25 20.261 1.467 0.828 1.00 0.00 N ATOM 843 CA THR B 25 19.622 0.230 1.246 1.00 0.00 C ATOM 844 C THR B 25 18.124 0.452 1.463 1.00 0.00 C ATOM 845 O THR B 25 17.662 1.590 1.515 1.00 0.00 O ATOM 846 CB THR B 25 20.348 -0.280 2.492 1.00 0.00 C ATOM 847 OG1 THR B 25 21.566 -0.820 1.988 1.00 0.00 O ATOM 848 CG2 THR B 25 19.644 -1.479 3.130 1.00 0.00 C ATOM 0 H THR B 25 20.101 2.261 1.449 1.00 0.00 H new ATOM 0 HA THR B 25 19.697 -0.535 0.473 1.00 0.00 H new ATOM 0 HB THR B 25 20.426 0.526 3.222 1.00 0.00 H new ATOM 0 HG1 THR B 25 22.100 -1.172 2.731 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.200 -1.801 4.010 1.00 0.00 H new ATOM 0 HG22 THR B 25 18.634 -1.194 3.424 1.00 0.00 H new ATOM 0 HG23 THR B 25 19.596 -2.297 2.411 1.00 0.00 H new ATOM 856 N LEU B 26 17.406 -0.656 1.584 1.00 0.00 N ATOM 857 CA LEU B 26 15.970 -0.597 1.794 1.00 0.00 C ATOM 858 C LEU B 26 15.651 -1.024 3.229 1.00 0.00 C ATOM 859 O LEU B 26 15.233 -2.156 3.465 1.00 0.00 O ATOM 860 CB LEU B 26 15.239 -1.420 0.731 1.00 0.00 C ATOM 861 CG LEU B 26 15.853 -1.401 -0.670 1.00 0.00 C ATOM 862 CD1 LEU B 26 15.443 -2.643 -1.464 1.00 0.00 C ATOM 863 CD2 LEU B 26 15.500 -0.108 -1.407 1.00 0.00 C ATOM 0 H LEU B 26 17.793 -1.599 1.541 1.00 0.00 H new ATOM 0 HA LEU B 26 15.609 0.425 1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.190 -2.455 1.071 1.00 0.00 H new ATOM 0 HB3 LEU B 26 14.213 -1.058 0.662 1.00 0.00 H new ATOM 0 HG LEU B 26 16.938 -1.427 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 26 15.893 -2.605 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU B 26 15.786 -3.537 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.357 -2.673 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU B 26 15.949 -0.121 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU B 26 14.417 -0.026 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.882 0.746 -0.847 1.00 0.00 H new ATOM 875 N VAL B 27 15.861 -0.094 4.149 1.00 0.00 N ATOM 876 CA VAL B 27 15.601 -0.359 5.554 1.00 0.00 C ATOM 877 C VAL B 27 14.090 -0.407 5.788 1.00 0.00 C ATOM 878 O VAL B 27 13.424 0.628 5.782 1.00 0.00 O ATOM 879 CB VAL B 27 16.308 0.682 6.423 1.00 0.00 C ATOM 880 CG1 VAL B 27 15.997 0.463 7.905 1.00 0.00 C ATOM 881 CG2 VAL B 27 17.817 0.672 6.172 1.00 0.00 C ATOM 0 H VAL B 27 16.208 0.844 3.949 1.00 0.00 H new ATOM 0 HA VAL B 27 16.005 -1.330 5.841 1.00 0.00 H new ATOM 0 HB VAL B 27 15.928 1.665 6.143 1.00 0.00 H new ATOM 0 HG11 VAL B 27 16.512 1.217 8.500 1.00 0.00 H new ATOM 0 HG12 VAL B 27 14.922 0.545 8.067 1.00 0.00 H new ATOM 0 HG13 VAL B 27 16.335 -0.529 8.205 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.296 1.421 6.802 1.00 0.00 H new ATOM 0 HG22 VAL B 27 18.219 -0.313 6.410 1.00 0.00 H new ATOM 0 HG23 VAL B 27 18.013 0.900 5.124 1.00 0.00 H new ATOM 891 N CYS B 28 13.592 -1.618 5.989 1.00 0.00 N ATOM 892 CA CYS B 28 12.172 -1.814 6.225 1.00 0.00 C ATOM 893 C CYS B 28 11.997 -2.443 7.609 1.00 0.00 C ATOM 894 O CYS B 28 12.730 -3.360 7.975 1.00 0.00 O ATOM 895 CB CYS B 28 11.527 -2.663 5.127 1.00 0.00 C ATOM 896 SG CYS B 28 9.700 -2.591 5.075 1.00 0.00 S ATOM 0 H CYS B 28 14.147 -2.474 5.993 1.00 0.00 H new ATOM 0 HA CYS B 28 11.661 -0.852 6.197 1.00 0.00 H new ATOM 0 HB2 CYS B 28 11.917 -2.340 4.162 1.00 0.00 H new ATOM 0 HB3 CYS B 28 11.832 -3.701 5.263 1.00 0.00 H new ATOM 901 N CYS B 29 11.021 -1.924 8.340 1.00 0.00 N ATOM 902 CA CYS B 29 10.741 -2.423 9.676 1.00 0.00 C ATOM 903 C CYS B 29 11.990 -2.224 10.536 1.00 0.00 C ATOM 904 O CYS B 29 12.272 -3.027 11.424 1.00 0.00 O ATOM 905 CB CYS B 29 10.293 -3.886 9.651 1.00 0.00 C ATOM 906 SG CYS B 29 8.609 -4.162 8.991 1.00 0.00 S ATOM 0 H CYS B 29 10.415 -1.164 8.033 1.00 0.00 H new ATOM 0 HA CYS B 29 9.911 -1.864 10.108 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.001 -4.458 9.051 1.00 0.00 H new ATOM 0 HB3 CYS B 29 10.340 -4.283 10.665 1.00 0.00 H new ATOM 911 N GLY B 30 12.706 -1.148 10.242 1.00 0.00 N ATOM 912 CA GLY B 30 13.919 -0.833 10.977 1.00 0.00 C ATOM 913 C GLY B 30 14.978 -1.919 10.780 1.00 0.00 C ATOM 914 O GLY B 30 15.881 -2.068 11.602 1.00 0.00 O ATOM 0 H GLY B 30 12.469 -0.484 9.505 1.00 0.00 H new ATOM 0 HA2 GLY B 30 14.312 0.127 10.643 1.00 0.00 H new ATOM 0 HA3 GLY B 30 13.690 -0.732 12.038 1.00 0.00 H new ATOM 918 N GLU B 31 14.832 -2.652 9.686 1.00 0.00 N ATOM 919 CA GLU B 31 15.764 -3.721 9.371 1.00 0.00 C ATOM 920 C GLU B 31 16.103 -3.707 7.879 1.00 0.00 C ATOM 921 O GLU B 31 15.208 -3.747 7.035 1.00 0.00 O ATOM 922 CB GLU B 31 15.203 -5.080 9.793 1.00 0.00 C ATOM 923 CG GLU B 31 16.318 -6.122 9.907 1.00 0.00 C ATOM 924 CD GLU B 31 15.768 -7.461 10.401 1.00 0.00 C ATOM 925 OE1 GLU B 31 15.059 -8.154 9.655 1.00 0.00 O ATOM 926 OE2 GLU B 31 16.102 -7.777 11.606 1.00 0.00 O ATOM 0 H GLU B 31 14.082 -2.526 9.006 1.00 0.00 H new ATOM 0 HA GLU B 31 16.682 -3.554 9.934 1.00 0.00 H new ATOM 0 HB2 GLU B 31 14.690 -4.984 10.750 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.462 -5.413 9.066 1.00 0.00 H new ATOM 0 HG2 GLU B 31 16.795 -6.257 8.936 1.00 0.00 H new ATOM 0 HG3 GLU B 31 17.086 -5.765 10.593 1.00 0.00 H new ATOM 933 N ASP B 32 17.396 -3.650 7.598 1.00 0.00 N ATOM 934 CA ASP B 32 17.864 -3.630 6.223 1.00 0.00 C ATOM 935 C ASP B 32 17.363 -4.882 5.500 1.00 0.00 C ATOM 936 O ASP B 32 17.721 -6.000 5.867 1.00 0.00 O ATOM 937 CB ASP B 32 19.393 -3.629 6.161 1.00 0.00 C ATOM 938 CG ASP B 32 20.080 -2.699 7.163 1.00 0.00 C ATOM 939 OD1 ASP B 32 19.537 -1.648 7.536 1.00 0.00 O ATOM 940 OD2 ASP B 32 21.237 -3.098 7.571 1.00 0.00 O ATOM 0 H ASP B 32 18.135 -3.617 8.300 1.00 0.00 H new ATOM 0 HA ASP B 32 17.483 -2.724 5.751 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.749 -4.646 6.328 1.00 0.00 H new ATOM 0 HB3 ASP B 32 19.701 -3.345 5.155 1.00 0.00 H new ATOM 945 N MET B 33 16.541 -4.652 4.487 1.00 0.00 N ATOM 946 CA MET B 33 15.987 -5.748 3.709 1.00 0.00 C ATOM 947 C MET B 33 17.088 -6.707 3.252 1.00 0.00 C ATOM 948 O MET B 33 18.221 -6.291 3.016 1.00 0.00 O ATOM 949 CB MET B 33 15.257 -5.188 2.487 1.00 0.00 C ATOM 950 CG MET B 33 14.142 -6.133 2.035 1.00 0.00 C ATOM 951 SD MET B 33 12.869 -5.214 1.186 1.00 0.00 S ATOM 952 CE MET B 33 12.488 -3.991 2.430 1.00 0.00 C ATOM 0 H MET B 33 16.245 -3.723 4.187 1.00 0.00 H new ATOM 0 HA MET B 33 15.289 -6.300 4.339 1.00 0.00 H new ATOM 0 HB2 MET B 33 14.836 -4.211 2.726 1.00 0.00 H new ATOM 0 HB3 MET B 33 15.965 -5.039 1.672 1.00 0.00 H new ATOM 0 HG2 MET B 33 14.549 -6.900 1.376 1.00 0.00 H new ATOM 0 HG3 MET B 33 13.717 -6.646 2.898 1.00 0.00 H new ATOM 0 HE1 MET B 33 11.409 -3.840 2.473 1.00 0.00 H new ATOM 0 HE2 MET B 33 12.845 -4.336 3.400 1.00 0.00 H new ATOM 0 HE3 MET B 33 12.977 -3.050 2.177 1.00 0.00 H new ATOM 962 N VAL B 34 16.715 -7.974 3.140 1.00 0.00 N ATOM 963 CA VAL B 34 17.656 -8.996 2.715 1.00 0.00 C ATOM 964 C VAL B 34 17.519 -9.214 1.207 1.00 0.00 C ATOM 965 O VAL B 34 16.511 -8.838 0.611 1.00 0.00 O ATOM 966 CB VAL B 34 17.441 -10.275 3.526 1.00 0.00 C ATOM 967 CG1 VAL B 34 17.107 -9.951 4.983 1.00 0.00 C ATOM 968 CG2 VAL B 34 16.354 -11.148 2.895 1.00 0.00 C ATOM 0 H VAL B 34 15.774 -8.316 3.336 1.00 0.00 H new ATOM 0 HA VAL B 34 18.680 -8.675 2.905 1.00 0.00 H new ATOM 0 HB VAL B 34 18.373 -10.840 3.514 1.00 0.00 H new ATOM 0 HG11 VAL B 34 16.959 -10.878 5.537 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.928 -9.389 5.428 1.00 0.00 H new ATOM 0 HG13 VAL B 34 16.195 -9.355 5.023 1.00 0.00 H new ATOM 0 HG21 VAL B 34 16.221 -12.051 3.491 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.416 -10.594 2.862 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.650 -11.422 1.882 1.00 0.00 H new ATOM 978 N LYS B 35 18.548 -9.820 0.633 1.00 0.00 N ATOM 979 CA LYS B 35 18.555 -10.092 -0.795 1.00 0.00 C ATOM 980 C LYS B 35 18.112 -11.536 -1.036 1.00 0.00 C ATOM 981 O LYS B 35 18.340 -12.408 -0.198 1.00 0.00 O ATOM 982 CB LYS B 35 19.922 -9.759 -1.397 1.00 0.00 C ATOM 983 CG LYS B 35 19.782 -9.278 -2.843 1.00 0.00 C ATOM 984 CD LYS B 35 20.041 -10.420 -3.828 1.00 0.00 C ATOM 985 CE LYS B 35 19.337 -10.163 -5.162 1.00 0.00 C ATOM 986 NZ LYS B 35 20.162 -10.658 -6.287 1.00 0.00 N ATOM 0 H LYS B 35 19.383 -10.130 1.130 1.00 0.00 H new ATOM 0 HA LYS B 35 17.841 -9.449 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS B 35 20.409 -8.988 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS B 35 20.563 -10.640 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS B 35 18.781 -8.876 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS B 35 20.484 -8.466 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS B 35 21.113 -10.527 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS B 35 19.689 -11.360 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS B 35 18.366 -10.659 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS B 35 19.151 -9.096 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 19.670 -10.476 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 21.078 -10.166 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 20.318 -11.681 -6.179 1.00 0.00 H new ATOM 999 N GLN B 36 17.487 -11.745 -2.185 1.00 0.00 N ATOM 1000 CA GLN B 36 17.010 -13.069 -2.548 1.00 0.00 C ATOM 1001 C GLN B 36 17.782 -13.599 -3.757 1.00 0.00 C ATOM 1002 O GLN B 36 18.986 -13.376 -3.876 1.00 0.00 O ATOM 1003 CB GLN B 36 15.505 -13.053 -2.822 1.00 0.00 C ATOM 1004 CG GLN B 36 14.748 -12.351 -1.692 1.00 0.00 C ATOM 1005 CD GLN B 36 14.621 -13.262 -0.469 1.00 0.00 C ATOM 1006 OE1 GLN B 36 13.670 -14.010 -0.317 1.00 0.00 O ATOM 1007 NE2 GLN B 36 15.630 -13.156 0.391 1.00 0.00 N ATOM 0 H GLN B 36 17.300 -11.020 -2.877 1.00 0.00 H new ATOM 0 HA GLN B 36 17.186 -13.740 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN B 36 15.309 -12.545 -3.766 1.00 0.00 H new ATOM 0 HB3 GLN B 36 15.140 -14.075 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN B 36 15.269 -11.435 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN B 36 13.756 -12.061 -2.039 1.00 0.00 H new ATOM 0 HE21 GLN B 36 16.395 -12.509 0.202 1.00 0.00 H new ATOM 0 HE22 GLN B 36 15.638 -13.722 1.240 1.00 0.00 H new TER 1016 GLN B 36 HETATM 1017 CD CD A 37 19.002 5.683 -1.352 1.00 0.00 CD HETATM 1018 CD CD B 37 9.080 -4.449 6.602 1.00 0.00 CD