USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot 180:sc= 0.0942 USER MOD Set 1.2: A 59 TYR OH : rot -101:sc= 0.86 USER MOD Set 2.1: A 20 SER OG : rot 70:sc= 0.807 USER MOD Set 2.2: A 31 TYR OH : rot -7:sc= 1.29 USER MOD Single : A 1 MET CE :methyl -121:sc= 0 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.956 (180deg=0.404) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 14 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.0092) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 147:sc= -0.186 (180deg=-1.11) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.749 K(o=0.75,f=-0.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 0.301 (180deg=-0.187) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.757) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.161 K(o=-0.16,f=-6.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.312 (180deg=-0.0567) USER MOD Single : A 63 SER OG : rot 29:sc= 0.968 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00628 K(o=-0.0063,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.925 1.775 1.903 1.00 0.00 N ATOM 2 CA MET A 1 13.450 3.136 2.225 1.00 0.00 C ATOM 3 C MET A 1 12.022 3.048 2.749 1.00 0.00 C ATOM 4 O MET A 1 11.565 1.961 3.102 1.00 0.00 O ATOM 5 CB MET A 1 13.650 4.097 1.031 1.00 0.00 C ATOM 6 CG MET A 1 14.688 5.164 1.388 1.00 0.00 C ATOM 7 SD MET A 1 16.214 4.547 2.160 1.00 0.00 S ATOM 8 CE MET A 1 16.945 3.519 0.861 1.00 0.00 C ATOM 0 H1 MET A 1 14.588 1.819 1.103 1.00 0.00 H new ATOM 0 H2 MET A 1 14.408 1.371 2.731 1.00 0.00 H new ATOM 0 H3 MET A 1 13.114 1.176 1.648 1.00 0.00 H new ATOM 0 HA MET A 1 14.049 3.577 3.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.977 3.538 0.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.703 4.571 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.954 5.705 0.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.226 5.884 2.063 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.060 2.498 1.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.294 3.520 -0.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.922 3.918 0.587 1.00 0.00 H new ATOM 18 N ARG A 2 11.283 4.157 2.820 1.00 0.00 N ATOM 19 CA ARG A 2 9.827 4.099 2.845 1.00 0.00 C ATOM 20 C ARG A 2 9.272 5.007 1.769 1.00 0.00 C ATOM 21 O ARG A 2 9.954 5.928 1.317 1.00 0.00 O ATOM 22 CB ARG A 2 9.256 4.433 4.229 1.00 0.00 C ATOM 23 CG ARG A 2 9.475 5.897 4.599 1.00 0.00 C ATOM 24 CD ARG A 2 8.796 6.228 5.922 1.00 0.00 C ATOM 25 NE ARG A 2 9.188 7.559 6.388 1.00 0.00 N ATOM 26 CZ ARG A 2 9.139 7.970 7.659 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.480 7.258 8.572 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.758 9.087 8.011 1.00 0.00 N ATOM 0 H ARG A 2 11.670 5.100 2.861 1.00 0.00 H new ATOM 0 HA ARG A 2 9.516 3.075 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.189 4.211 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.725 3.795 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.543 6.103 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.080 6.539 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.714 6.184 5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.064 5.482 6.670 1.00 0.00 H new ATOM 0 HE ARG A 2 9.524 8.223 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.009 6.394 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.446 7.577 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.269 9.629 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.724 9.405 8.979 1.00 0.00 H new ATOM 42 N TYR A 3 8.020 4.761 1.410 1.00 0.00 N ATOM 43 CA TYR A 3 7.350 5.410 0.297 1.00 0.00 C ATOM 44 C TYR A 3 5.873 5.509 0.648 1.00 0.00 C ATOM 45 O TYR A 3 5.290 4.516 1.092 1.00 0.00 O ATOM 46 CB TYR A 3 7.554 4.592 -0.990 1.00 0.00 C ATOM 47 CG TYR A 3 8.968 4.076 -1.201 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.940 4.868 -1.845 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.313 2.795 -0.725 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.233 4.354 -2.072 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.602 2.285 -0.935 1.00 0.00 C ATOM 52 CZ TYR A 3 11.552 3.046 -1.645 1.00 0.00 C ATOM 53 OH TYR A 3 12.763 2.502 -1.925 1.00 0.00 O ATOM 0 H TYR A 3 7.429 4.088 1.898 1.00 0.00 H new ATOM 0 HA TYR A 3 7.760 6.405 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.871 3.743 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.277 5.210 -1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.694 5.870 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.581 2.203 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.977 4.958 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.867 1.310 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 3 12.808 1.596 -1.554 1.00 0.00 H new ATOM 63 N VAL A 4 5.271 6.687 0.481 1.00 0.00 N ATOM 64 CA VAL A 4 3.840 6.891 0.589 1.00 0.00 C ATOM 65 C VAL A 4 3.256 6.635 -0.793 1.00 0.00 C ATOM 66 O VAL A 4 3.613 7.310 -1.758 1.00 0.00 O ATOM 67 CB VAL A 4 3.510 8.285 1.169 1.00 0.00 C ATOM 68 CG1 VAL A 4 4.020 9.491 0.362 1.00 0.00 C ATOM 69 CG2 VAL A 4 2.004 8.439 1.417 1.00 0.00 C ATOM 0 H VAL A 4 5.784 7.541 0.262 1.00 0.00 H new ATOM 0 HA VAL A 4 3.385 6.199 1.298 1.00 0.00 H new ATOM 0 HB VAL A 4 4.065 8.307 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.730 10.414 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.106 9.445 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.586 9.470 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.802 9.429 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.466 8.317 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.672 7.680 2.126 1.00 0.00 H new ATOM 79 N LEU A 5 2.380 5.646 -0.916 1.00 0.00 N ATOM 80 CA LEU A 5 1.617 5.365 -2.121 1.00 0.00 C ATOM 81 C LEU A 5 0.253 6.046 -2.028 1.00 0.00 C ATOM 82 O LEU A 5 -0.270 6.242 -0.925 1.00 0.00 O ATOM 83 CB LEU A 5 1.386 3.859 -2.302 1.00 0.00 C ATOM 84 CG LEU A 5 2.379 2.860 -1.682 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.837 1.439 -1.874 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.769 2.974 -2.307 1.00 0.00 C ATOM 0 H LEU A 5 2.176 4.998 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 5 2.188 5.742 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.399 3.630 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.349 3.661 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 5 2.480 3.090 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.533 0.722 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.868 1.349 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.724 1.234 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.438 2.251 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.705 2.772 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.157 3.981 -2.151 1.00 0.00 H new ATOM 98 N TYR A 6 -0.367 6.304 -3.177 1.00 0.00 N ATOM 99 CA TYR A 6 -1.704 6.857 -3.304 1.00 0.00 C ATOM 100 C TYR A 6 -2.588 5.800 -3.959 1.00 0.00 C ATOM 101 O TYR A 6 -2.398 5.466 -5.130 1.00 0.00 O ATOM 102 CB TYR A 6 -1.643 8.168 -4.105 1.00 0.00 C ATOM 103 CG TYR A 6 -2.881 9.050 -4.031 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.612 9.198 -2.834 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.262 9.795 -5.159 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.699 10.081 -2.759 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.344 10.688 -5.093 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.068 10.838 -3.895 1.00 0.00 C ATOM 109 OH TYR A 6 -6.098 11.722 -3.834 1.00 0.00 O ATOM 0 H TYR A 6 0.071 6.124 -4.080 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.133 7.106 -2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.788 8.746 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.456 7.924 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.331 8.624 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.718 9.680 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.252 10.182 -1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.622 11.262 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.210 12.154 -4.706 1.00 0.00 H new ATOM 119 N VAL A 7 -3.503 5.213 -3.194 1.00 0.00 N ATOM 120 CA VAL A 7 -4.341 4.085 -3.600 1.00 0.00 C ATOM 121 C VAL A 7 -5.804 4.513 -3.388 1.00 0.00 C ATOM 122 O VAL A 7 -6.357 4.297 -2.309 1.00 0.00 O ATOM 123 CB VAL A 7 -3.921 2.816 -2.823 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.663 1.517 -3.211 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.411 2.562 -2.931 1.00 0.00 C ATOM 0 H VAL A 7 -3.690 5.519 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.220 3.823 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.210 3.047 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.291 0.691 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.732 1.642 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.491 1.301 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.153 1.662 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.138 2.430 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.869 3.413 -2.519 1.00 0.00 H new ATOM 135 N PRO A 8 -6.440 5.194 -4.359 1.00 0.00 N ATOM 136 CA PRO A 8 -7.827 5.637 -4.225 1.00 0.00 C ATOM 137 C PRO A 8 -8.831 4.497 -3.984 1.00 0.00 C ATOM 138 O PRO A 8 -9.890 4.756 -3.411 1.00 0.00 O ATOM 139 CB PRO A 8 -8.139 6.453 -5.482 1.00 0.00 C ATOM 140 CG PRO A 8 -7.051 6.056 -6.479 1.00 0.00 C ATOM 141 CD PRO A 8 -5.866 5.659 -5.611 1.00 0.00 C ATOM 0 HA PRO A 8 -7.936 6.244 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.133 6.223 -5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.116 7.523 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.375 5.229 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.798 6.884 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.276 4.876 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.199 6.505 -5.447 1.00 0.00 H new ATOM 149 N ASP A 9 -8.508 3.244 -4.324 1.00 0.00 N ATOM 150 CA ASP A 9 -9.377 2.085 -4.072 1.00 0.00 C ATOM 151 C ASP A 9 -9.581 1.825 -2.573 1.00 0.00 C ATOM 152 O ASP A 9 -10.505 1.106 -2.187 1.00 0.00 O ATOM 153 CB ASP A 9 -8.827 0.815 -4.751 1.00 0.00 C ATOM 154 CG ASP A 9 -9.018 0.788 -6.268 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.130 1.312 -6.978 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.056 0.238 -6.722 1.00 0.00 O ATOM 0 H ASP A 9 -7.631 3.002 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.347 2.329 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.764 0.727 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.317 -0.057 -4.318 1.00 0.00 H new ATOM 161 N ILE A 10 -8.786 2.441 -1.688 1.00 0.00 N ATOM 162 CA ILE A 10 -8.942 2.343 -0.233 1.00 0.00 C ATOM 163 C ILE A 10 -10.129 3.215 0.247 1.00 0.00 C ATOM 164 O ILE A 10 -10.166 3.650 1.396 1.00 0.00 O ATOM 165 CB ILE A 10 -7.631 2.750 0.497 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.399 2.071 -0.122 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.618 2.444 2.022 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.084 2.551 0.488 1.00 0.00 C ATOM 0 H ILE A 10 -8.003 3.031 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.156 1.303 0.015 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.591 3.831 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.481 0.992 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.386 2.262 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.666 2.761 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.431 2.983 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.748 1.373 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.251 2.035 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.982 3.625 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.079 2.336 1.556 1.00 0.00 H new ATOM 180 N SER A 11 -11.094 3.549 -0.610 1.00 0.00 N ATOM 181 CA SER A 11 -12.208 4.400 -0.224 1.00 0.00 C ATOM 182 C SER A 11 -13.026 3.787 0.927 1.00 0.00 C ATOM 183 O SER A 11 -13.663 4.543 1.666 1.00 0.00 O ATOM 184 CB SER A 11 -13.059 4.696 -1.460 1.00 0.00 C ATOM 185 OG SER A 11 -13.711 5.942 -1.348 1.00 0.00 O ATOM 0 H SER A 11 -11.122 3.238 -1.581 1.00 0.00 H new ATOM 0 HA SER A 11 -11.824 5.343 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.427 4.692 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.799 3.907 -1.592 1.00 0.00 H new ATOM 0 HG SER A 11 -14.246 6.105 -2.153 1.00 0.00 H new ATOM 191 N CYS A 12 -12.990 2.460 1.113 1.00 0.00 N ATOM 192 CA CYS A 12 -13.778 1.740 2.113 1.00 0.00 C ATOM 193 C CYS A 12 -12.916 1.006 3.150 1.00 0.00 C ATOM 194 O CYS A 12 -11.783 0.602 2.897 1.00 0.00 O ATOM 195 CB CYS A 12 -14.656 0.731 1.376 1.00 0.00 C ATOM 196 SG CYS A 12 -15.995 1.570 0.494 1.00 0.00 S ATOM 0 H CYS A 12 -12.396 1.846 0.556 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.370 2.469 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.050 0.162 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.073 0.017 2.087 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.725 0.690 -0.126 1.00 0.00 H new ATOM 202 N ASN A 13 -13.503 0.727 4.313 1.00 0.00 N ATOM 203 CA ASN A 13 -12.853 0.093 5.454 1.00 0.00 C ATOM 204 C ASN A 13 -12.487 -1.360 5.165 1.00 0.00 C ATOM 205 O ASN A 13 -11.383 -1.786 5.489 1.00 0.00 O ATOM 206 CB ASN A 13 -13.767 0.186 6.682 1.00 0.00 C ATOM 207 CG ASN A 13 -13.012 0.106 8.000 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.940 -0.489 8.107 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.563 0.709 9.035 1.00 0.00 N ATOM 0 H ASN A 13 -14.483 0.946 4.491 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.922 0.623 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.320 1.124 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.501 -0.619 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.100 0.687 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.452 1.197 8.927 1.00 0.00 H new ATOM 216 N HIS A 14 -13.364 -2.137 4.522 1.00 0.00 N ATOM 217 CA HIS A 14 -13.034 -3.502 4.104 1.00 0.00 C ATOM 218 C HIS A 14 -11.896 -3.486 3.102 1.00 0.00 C ATOM 219 O HIS A 14 -11.054 -4.374 3.167 1.00 0.00 O ATOM 220 CB HIS A 14 -14.259 -4.173 3.478 1.00 0.00 C ATOM 221 CG HIS A 14 -14.021 -5.600 3.040 1.00 0.00 C ATOM 222 ND1 HIS A 14 -14.178 -6.110 1.770 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.699 -6.649 3.855 1.00 0.00 C ATOM 224 CE1 HIS A 14 -14.025 -7.444 1.833 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.753 -7.825 3.095 1.00 0.00 N ATOM 0 H HIS A 14 -14.310 -1.843 4.279 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.726 -4.067 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.077 -4.156 4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.580 -3.588 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.447 -6.583 4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.108 -8.115 0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.614 -8.778 3.431 1.00 0.00 H new ATOM 233 N CYS A 15 -11.783 -2.481 2.232 1.00 0.00 N ATOM 234 CA CYS A 15 -10.665 -2.433 1.304 1.00 0.00 C ATOM 235 C CYS A 15 -9.333 -2.475 2.052 1.00 0.00 C ATOM 236 O CYS A 15 -8.356 -3.038 1.544 1.00 0.00 O ATOM 237 CB CYS A 15 -10.759 -1.209 0.395 1.00 0.00 C ATOM 238 SG CYS A 15 -12.265 -1.412 -0.585 1.00 0.00 S ATOM 0 H CYS A 15 -12.441 -1.706 2.155 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.714 -3.317 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.799 -0.292 0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.883 -1.137 -0.250 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.404 -0.395 -1.383 1.00 0.00 H new ATOM 244 N LYS A 16 -9.245 -1.852 3.235 1.00 0.00 N ATOM 245 CA LYS A 16 -7.996 -1.775 3.985 1.00 0.00 C ATOM 246 C LYS A 16 -7.453 -3.168 4.321 1.00 0.00 C ATOM 247 O LYS A 16 -6.230 -3.339 4.336 1.00 0.00 O ATOM 248 CB LYS A 16 -8.174 -0.829 5.186 1.00 0.00 C ATOM 249 CG LYS A 16 -6.955 -0.812 6.121 1.00 0.00 C ATOM 250 CD LYS A 16 -6.973 0.381 7.088 1.00 0.00 C ATOM 251 CE LYS A 16 -7.463 0.050 8.497 1.00 0.00 C ATOM 252 NZ LYS A 16 -8.927 -0.116 8.597 1.00 0.00 N ATOM 0 H LYS A 16 -10.033 -1.393 3.691 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.212 -1.334 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.360 0.181 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.055 -1.131 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.927 -1.739 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.044 -0.778 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.966 0.793 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.609 1.161 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.979 -0.867 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.150 0.843 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.185 -0.338 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.397 0.765 8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.232 -0.892 7.975 1.00 0.00 H new ATOM 266 N MET A 17 -8.330 -4.167 4.501 1.00 0.00 N ATOM 267 CA MET A 17 -7.884 -5.508 4.871 1.00 0.00 C ATOM 268 C MET A 17 -7.025 -6.062 3.737 1.00 0.00 C ATOM 269 O MET A 17 -5.930 -6.575 3.955 1.00 0.00 O ATOM 270 CB MET A 17 -9.074 -6.446 5.118 1.00 0.00 C ATOM 271 CG MET A 17 -10.020 -6.927 4.008 1.00 0.00 C ATOM 272 SD MET A 17 -9.996 -8.721 3.754 1.00 0.00 S ATOM 273 CE MET A 17 -10.575 -9.167 5.400 1.00 0.00 C ATOM 0 H MET A 17 -9.340 -4.069 4.397 1.00 0.00 H new ATOM 0 HA MET A 17 -7.311 -5.446 5.796 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.666 -7.343 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.700 -5.957 5.864 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.037 -6.617 4.250 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.750 -6.433 3.074 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.178 -10.073 5.340 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.719 -9.343 6.051 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.179 -8.355 5.806 1.00 0.00 H new ATOM 283 N ARG A 18 -7.546 -5.880 2.518 1.00 0.00 N ATOM 284 CA ARG A 18 -7.040 -6.373 1.233 1.00 0.00 C ATOM 285 C ARG A 18 -5.538 -6.138 1.135 1.00 0.00 C ATOM 286 O ARG A 18 -4.766 -7.090 1.035 1.00 0.00 O ATOM 287 CB ARG A 18 -7.796 -5.778 0.025 1.00 0.00 C ATOM 288 CG ARG A 18 -9.318 -5.981 0.121 1.00 0.00 C ATOM 289 CD ARG A 18 -9.963 -6.612 -1.109 1.00 0.00 C ATOM 290 NE ARG A 18 -9.970 -8.086 -1.087 1.00 0.00 N ATOM 291 CZ ARG A 18 -9.195 -8.920 -1.797 1.00 0.00 C ATOM 292 NH1 ARG A 18 -8.187 -8.462 -2.535 1.00 0.00 N ATOM 293 NH2 ARG A 18 -9.449 -10.226 -1.750 1.00 0.00 N ATOM 0 H ARG A 18 -8.403 -5.340 2.396 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.225 -7.446 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.579 -4.712 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.429 -6.239 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.532 -6.608 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.788 -5.014 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.989 -6.254 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.433 -6.274 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.643 -8.523 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.992 -7.461 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.609 -9.112 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.221 -10.575 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.872 -10.877 -2.282 1.00 0.00 H new ATOM 307 N ILE A 19 -5.122 -4.870 1.169 1.00 0.00 N ATOM 308 CA ILE A 19 -3.718 -4.492 1.014 1.00 0.00 C ATOM 309 C ILE A 19 -2.892 -5.110 2.126 1.00 0.00 C ATOM 310 O ILE A 19 -1.891 -5.746 1.834 1.00 0.00 O ATOM 311 CB ILE A 19 -3.549 -2.965 0.973 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.256 -2.389 -0.276 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.083 -2.501 0.959 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.159 -1.268 0.183 1.00 0.00 C ATOM 0 H ILE A 19 -5.750 -4.078 1.305 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.359 -4.877 0.060 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.999 -2.593 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.524 -2.020 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.834 -3.164 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.046 -1.412 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.580 -2.857 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.582 -2.905 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.673 -0.840 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.893 -1.658 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.563 -0.497 0.670 1.00 0.00 H new ATOM 326 N SER A 20 -3.275 -4.943 3.392 1.00 0.00 N ATOM 327 CA SER A 20 -2.427 -5.408 4.482 1.00 0.00 C ATOM 328 C SER A 20 -2.242 -6.901 4.457 1.00 0.00 C ATOM 329 O SER A 20 -1.172 -7.366 4.828 1.00 0.00 O ATOM 330 CB SER A 20 -3.067 -5.085 5.794 1.00 0.00 C ATOM 331 OG SER A 20 -2.260 -5.291 6.929 1.00 0.00 O ATOM 0 H SER A 20 -4.147 -4.499 3.681 1.00 0.00 H new ATOM 0 HA SER A 20 -1.464 -4.912 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.381 -4.041 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.969 -5.688 5.897 1.00 0.00 H new ATOM 0 HG SER A 20 -1.542 -4.625 6.945 1.00 0.00 H new ATOM 337 N LYS A 21 -3.272 -7.651 4.071 1.00 0.00 N ATOM 338 CA LYS A 21 -3.143 -9.087 4.033 1.00 0.00 C ATOM 339 C LYS A 21 -2.052 -9.431 3.007 1.00 0.00 C ATOM 340 O LYS A 21 -1.170 -10.241 3.285 1.00 0.00 O ATOM 341 CB LYS A 21 -4.518 -9.699 3.707 1.00 0.00 C ATOM 342 CG LYS A 21 -4.560 -11.218 3.475 1.00 0.00 C ATOM 343 CD LYS A 21 -4.044 -12.075 4.639 1.00 0.00 C ATOM 344 CE LYS A 21 -4.757 -13.437 4.631 1.00 0.00 C ATOM 345 NZ LYS A 21 -4.062 -14.456 5.445 1.00 0.00 N ATOM 0 H LYS A 21 -4.182 -7.289 3.788 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.837 -9.507 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.199 -9.461 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.906 -9.208 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.589 -11.508 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.972 -11.449 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.967 -12.216 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.222 -11.565 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.773 -13.312 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.838 -13.793 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.588 -15.352 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.101 -14.600 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.008 -14.134 6.432 1.00 0.00 H new ATOM 359 N ALA A 22 -2.078 -8.736 1.864 1.00 0.00 N ATOM 360 CA ALA A 22 -1.095 -8.831 0.801 1.00 0.00 C ATOM 361 C ALA A 22 0.273 -8.247 1.190 1.00 0.00 C ATOM 362 O ALA A 22 1.271 -8.600 0.572 1.00 0.00 O ATOM 363 CB ALA A 22 -1.648 -8.132 -0.446 1.00 0.00 C ATOM 0 H ALA A 22 -2.819 -8.067 1.655 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.921 -9.888 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.918 -8.196 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.574 -8.617 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.846 -7.085 -0.218 1.00 0.00 H new ATOM 369 N LEU A 23 0.354 -7.351 2.180 1.00 0.00 N ATOM 370 CA LEU A 23 1.583 -6.719 2.649 1.00 0.00 C ATOM 371 C LEU A 23 2.280 -7.627 3.655 1.00 0.00 C ATOM 372 O LEU A 23 3.476 -7.894 3.550 1.00 0.00 O ATOM 373 CB LEU A 23 1.245 -5.367 3.303 1.00 0.00 C ATOM 374 CG LEU A 23 1.029 -4.187 2.345 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.786 -2.930 3.190 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.211 -3.936 1.405 1.00 0.00 C ATOM 0 H LEU A 23 -0.469 -7.037 2.694 1.00 0.00 H new ATOM 0 HA LEU A 23 2.251 -6.552 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.343 -5.492 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.050 -5.108 3.990 1.00 0.00 H new ATOM 0 HG LEU A 23 0.176 -4.430 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.629 -2.075 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.096 -3.075 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.652 -2.746 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.987 -3.088 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.103 -3.719 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.385 -4.822 0.795 1.00 0.00 H new ATOM 388 N GLU A 24 1.548 -8.088 4.662 1.00 0.00 N ATOM 389 CA GLU A 24 2.104 -8.972 5.674 1.00 0.00 C ATOM 390 C GLU A 24 2.564 -10.316 5.082 1.00 0.00 C ATOM 391 O GLU A 24 3.513 -10.894 5.611 1.00 0.00 O ATOM 392 CB GLU A 24 1.115 -9.120 6.840 1.00 0.00 C ATOM 393 CG GLU A 24 0.950 -7.762 7.553 1.00 0.00 C ATOM 394 CD GLU A 24 0.379 -7.871 8.968 1.00 0.00 C ATOM 395 OE1 GLU A 24 -0.513 -8.714 9.225 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.727 -7.031 9.831 1.00 0.00 O ATOM 0 H GLU A 24 0.563 -7.862 4.798 1.00 0.00 H new ATOM 0 HA GLU A 24 3.011 -8.521 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.150 -9.468 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.476 -9.870 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.920 -7.267 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.296 -7.126 6.956 1.00 0.00 H new ATOM 403 N GLU A 25 1.996 -10.801 3.964 1.00 0.00 N ATOM 404 CA GLU A 25 2.630 -11.908 3.230 1.00 0.00 C ATOM 405 C GLU A 25 3.888 -11.455 2.506 1.00 0.00 C ATOM 406 O GLU A 25 4.899 -12.165 2.524 1.00 0.00 O ATOM 407 CB GLU A 25 1.686 -12.601 2.237 1.00 0.00 C ATOM 408 CG GLU A 25 1.281 -11.813 0.989 1.00 0.00 C ATOM 409 CD GLU A 25 0.356 -12.606 0.069 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.841 -13.496 -0.672 1.00 0.00 O ATOM 411 OE2 GLU A 25 -0.854 -12.317 0.015 1.00 0.00 O ATOM 0 H GLU A 25 1.126 -10.456 3.559 1.00 0.00 H new ATOM 0 HA GLU A 25 2.897 -12.640 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.159 -13.528 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.777 -12.877 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.784 -10.891 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.177 -11.526 0.438 1.00 0.00 H new ATOM 418 N LEU A 26 3.831 -10.269 1.891 1.00 0.00 N ATOM 419 CA LEU A 26 4.847 -9.775 0.994 1.00 0.00 C ATOM 420 C LEU A 26 6.185 -9.705 1.723 1.00 0.00 C ATOM 421 O LEU A 26 7.223 -10.080 1.178 1.00 0.00 O ATOM 422 CB LEU A 26 4.375 -8.415 0.455 1.00 0.00 C ATOM 423 CG LEU A 26 5.431 -7.599 -0.270 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.930 -8.232 -1.566 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.854 -6.226 -0.601 1.00 0.00 C ATOM 0 H LEU A 26 3.053 -9.621 2.015 1.00 0.00 H new ATOM 0 HA LEU A 26 4.999 -10.442 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.540 -8.583 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.994 -7.825 1.289 1.00 0.00 H new ATOM 0 HG LEU A 26 6.286 -7.539 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.681 -7.586 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.371 -9.205 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.095 -8.358 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.605 -5.632 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.978 -6.344 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.567 -5.720 0.321 1.00 0.00 H new ATOM 437 N GLY A 27 6.138 -9.358 3.009 1.00 0.00 N ATOM 438 CA GLY A 27 7.312 -9.259 3.861 1.00 0.00 C ATOM 439 C GLY A 27 7.625 -7.812 4.197 1.00 0.00 C ATOM 440 O GLY A 27 8.779 -7.485 4.488 1.00 0.00 O ATOM 0 H GLY A 27 5.267 -9.135 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.146 -9.821 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.168 -9.712 3.360 1.00 0.00 H new ATOM 444 N VAL A 28 6.615 -6.939 4.171 1.00 0.00 N ATOM 445 CA VAL A 28 6.764 -5.630 4.778 1.00 0.00 C ATOM 446 C VAL A 28 7.035 -5.837 6.280 1.00 0.00 C ATOM 447 O VAL A 28 6.674 -6.876 6.847 1.00 0.00 O ATOM 448 CB VAL A 28 5.515 -4.778 4.462 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.320 -5.111 5.354 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.854 -3.286 4.531 1.00 0.00 C ATOM 0 H VAL A 28 5.706 -7.116 3.744 1.00 0.00 H new ATOM 0 HA VAL A 28 7.609 -5.073 4.373 1.00 0.00 H new ATOM 0 HB VAL A 28 5.213 -5.028 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.475 -4.478 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.047 -6.158 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.584 -4.935 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.963 -2.700 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.207 -3.039 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.633 -3.056 3.804 1.00 0.00 H new ATOM 460 N LYS A 29 7.623 -4.846 6.955 1.00 0.00 N ATOM 461 CA LYS A 29 7.879 -4.933 8.391 1.00 0.00 C ATOM 462 C LYS A 29 7.548 -3.669 9.163 1.00 0.00 C ATOM 463 O LYS A 29 7.524 -3.722 10.389 1.00 0.00 O ATOM 464 CB LYS A 29 9.317 -5.426 8.608 1.00 0.00 C ATOM 465 CG LYS A 29 9.362 -6.691 9.466 1.00 0.00 C ATOM 466 CD LYS A 29 9.357 -6.405 10.971 1.00 0.00 C ATOM 467 CE LYS A 29 8.034 -6.711 11.678 1.00 0.00 C ATOM 468 NZ LYS A 29 8.177 -6.515 13.135 1.00 0.00 N ATOM 0 H LYS A 29 7.931 -3.973 6.527 1.00 0.00 H new ATOM 0 HA LYS A 29 7.187 -5.661 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.782 -5.625 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.902 -4.641 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.506 -7.319 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.257 -7.260 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.148 -6.990 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.602 -5.355 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.248 -6.062 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.731 -7.737 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.273 -6.726 13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.913 -7.152 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.446 -5.529 13.328 1.00 0.00 H new ATOM 482 N ASN A 30 7.220 -2.575 8.478 1.00 0.00 N ATOM 483 CA ASN A 30 6.607 -1.373 9.022 1.00 0.00 C ATOM 484 C ASN A 30 5.783 -0.815 7.864 1.00 0.00 C ATOM 485 O ASN A 30 6.306 -0.693 6.754 1.00 0.00 O ATOM 486 CB ASN A 30 7.674 -0.362 9.468 1.00 0.00 C ATOM 487 CG ASN A 30 8.423 -0.734 10.740 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.845 -1.209 11.713 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.727 -0.507 10.767 1.00 0.00 N ATOM 0 H ASN A 30 7.385 -2.503 7.474 1.00 0.00 H new ATOM 0 HA ASN A 30 6.003 -1.580 9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.397 -0.240 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.196 0.606 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.266 -0.727 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.193 -0.112 9.950 1.00 0.00 H new ATOM 496 N TYR A 31 4.493 -0.565 8.065 1.00 0.00 N ATOM 497 CA TYR A 31 3.571 -0.062 7.054 1.00 0.00 C ATOM 498 C TYR A 31 2.395 0.625 7.732 1.00 0.00 C ATOM 499 O TYR A 31 2.226 0.530 8.949 1.00 0.00 O ATOM 500 CB TYR A 31 3.082 -1.194 6.135 1.00 0.00 C ATOM 501 CG TYR A 31 2.190 -2.216 6.816 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.748 -3.224 7.621 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.793 -2.107 6.702 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.923 -4.096 8.351 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.041 -2.956 7.445 1.00 0.00 C ATOM 506 CZ TYR A 31 0.521 -3.942 8.287 1.00 0.00 C ATOM 507 OH TYR A 31 -0.298 -4.701 9.064 1.00 0.00 O ATOM 0 H TYR A 31 4.045 -0.713 8.970 1.00 0.00 H new ATOM 0 HA TYR A 31 4.098 0.661 6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.538 -0.756 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.949 -1.707 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.821 -3.329 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.361 -1.369 6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.358 -4.878 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.114 -2.856 7.373 1.00 0.00 H new ATOM 0 HH TYR A 31 0.231 -5.381 9.530 1.00 0.00 H new ATOM 517 N GLU A 32 1.575 1.316 6.943 1.00 0.00 N ATOM 518 CA GLU A 32 0.413 2.042 7.424 1.00 0.00 C ATOM 519 C GLU A 32 -0.611 2.150 6.295 1.00 0.00 C ATOM 520 O GLU A 32 -0.208 2.372 5.153 1.00 0.00 O ATOM 521 CB GLU A 32 0.877 3.439 7.870 1.00 0.00 C ATOM 522 CG GLU A 32 0.109 3.885 9.111 1.00 0.00 C ATOM 523 CD GLU A 32 0.458 5.313 9.540 1.00 0.00 C ATOM 524 OE1 GLU A 32 1.533 5.824 9.152 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.379 5.938 10.231 1.00 0.00 O ATOM 0 H GLU A 32 1.706 1.385 5.934 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.052 1.526 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.946 3.423 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.723 4.155 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.961 3.820 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.324 3.201 9.932 1.00 0.00 H new ATOM 532 N VAL A 33 -1.913 2.063 6.572 1.00 0.00 N ATOM 533 CA VAL A 33 -2.986 2.221 5.595 1.00 0.00 C ATOM 534 C VAL A 33 -4.072 3.096 6.235 1.00 0.00 C ATOM 535 O VAL A 33 -4.497 2.806 7.353 1.00 0.00 O ATOM 536 CB VAL A 33 -3.534 0.835 5.180 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.541 1.006 4.032 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.444 -0.162 4.743 1.00 0.00 C ATOM 0 H VAL A 33 -2.258 1.875 7.513 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.623 2.703 4.687 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.007 0.416 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.928 0.030 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.365 1.639 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.046 1.471 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.907 -1.110 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.905 0.241 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.748 -0.324 5.566 1.00 0.00 H new ATOM 548 N SER A 34 -4.545 4.123 5.524 1.00 0.00 N ATOM 549 CA SER A 34 -5.529 5.079 6.021 1.00 0.00 C ATOM 550 C SER A 34 -6.594 5.332 4.950 1.00 0.00 C ATOM 551 O SER A 34 -6.276 5.784 3.849 1.00 0.00 O ATOM 552 CB SER A 34 -4.800 6.345 6.493 1.00 0.00 C ATOM 553 OG SER A 34 -4.126 6.040 7.707 1.00 0.00 O ATOM 0 H SER A 34 -4.246 4.314 4.568 1.00 0.00 H new ATOM 0 HA SER A 34 -6.064 4.684 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.090 6.679 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.510 7.158 6.646 1.00 0.00 H new ATOM 0 HG SER A 34 -3.651 6.836 8.026 1.00 0.00 H new ATOM 559 N VAL A 35 -7.841 4.985 5.284 1.00 0.00 N ATOM 560 CA VAL A 35 -9.056 5.027 4.468 1.00 0.00 C ATOM 561 C VAL A 35 -9.424 6.471 4.113 1.00 0.00 C ATOM 562 O VAL A 35 -9.666 6.775 2.945 1.00 0.00 O ATOM 563 CB VAL A 35 -10.186 4.316 5.255 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.554 4.349 4.557 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.833 2.842 5.529 1.00 0.00 C ATOM 0 H VAL A 35 -8.043 4.635 6.221 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.898 4.510 3.522 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.266 4.881 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.289 3.830 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.865 5.384 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.480 3.856 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.645 2.370 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.688 2.321 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.916 2.791 6.116 1.00 0.00 H new ATOM 575 N GLU A 36 -9.447 7.378 5.096 1.00 0.00 N ATOM 576 CA GLU A 36 -9.789 8.779 4.852 1.00 0.00 C ATOM 577 C GLU A 36 -8.778 9.359 3.858 1.00 0.00 C ATOM 578 O GLU A 36 -9.138 10.053 2.909 1.00 0.00 O ATOM 579 CB GLU A 36 -9.790 9.576 6.171 1.00 0.00 C ATOM 580 CG GLU A 36 -10.897 9.181 7.171 1.00 0.00 C ATOM 581 CD GLU A 36 -12.161 10.041 7.058 1.00 0.00 C ATOM 582 OE1 GLU A 36 -12.885 9.961 6.039 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.472 10.807 8.001 1.00 0.00 O ATOM 0 H GLU A 36 -9.232 7.163 6.070 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.792 8.849 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.822 9.449 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.893 10.636 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.163 8.136 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.504 9.259 8.185 1.00 0.00 H new ATOM 590 N GLU A 37 -7.500 9.023 4.024 1.00 0.00 N ATOM 591 CA GLU A 37 -6.442 9.618 3.221 1.00 0.00 C ATOM 592 C GLU A 37 -6.197 8.878 1.900 1.00 0.00 C ATOM 593 O GLU A 37 -5.524 9.433 1.029 1.00 0.00 O ATOM 594 CB GLU A 37 -5.169 9.734 4.065 1.00 0.00 C ATOM 595 CG GLU A 37 -5.421 10.679 5.252 1.00 0.00 C ATOM 596 CD GLU A 37 -4.132 11.227 5.852 1.00 0.00 C ATOM 597 OE1 GLU A 37 -3.304 11.795 5.101 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.989 11.159 7.092 1.00 0.00 O ATOM 0 H GLU A 37 -7.175 8.341 4.709 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.765 10.616 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.870 8.750 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.349 10.112 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.046 11.510 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.978 10.147 6.023 1.00 0.00 H new ATOM 605 N LYS A 38 -6.759 7.671 1.720 1.00 0.00 N ATOM 606 CA LYS A 38 -6.491 6.761 0.601 1.00 0.00 C ATOM 607 C LYS A 38 -4.994 6.619 0.321 1.00 0.00 C ATOM 608 O LYS A 38 -4.528 6.608 -0.822 1.00 0.00 O ATOM 609 CB LYS A 38 -7.360 7.143 -0.607 1.00 0.00 C ATOM 610 CG LYS A 38 -8.738 6.483 -0.505 1.00 0.00 C ATOM 611 CD LYS A 38 -9.820 7.282 -1.237 1.00 0.00 C ATOM 612 CE LYS A 38 -10.625 8.190 -0.298 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.825 9.284 0.288 1.00 0.00 N ATOM 0 H LYS A 38 -7.439 7.290 2.378 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.792 5.749 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.471 8.226 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.869 6.832 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.688 5.477 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.013 6.381 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.354 7.890 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.499 6.592 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.463 8.617 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.046 7.587 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.423 10.127 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.459 8.988 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.029 9.508 -0.343 1.00 0.00 H new ATOM 627 N LYS A 39 -4.220 6.482 1.397 1.00 0.00 N ATOM 628 CA LYS A 39 -2.771 6.386 1.330 1.00 0.00 C ATOM 629 C LYS A 39 -2.304 5.123 2.011 1.00 0.00 C ATOM 630 O LYS A 39 -2.935 4.615 2.948 1.00 0.00 O ATOM 631 CB LYS A 39 -2.132 7.639 1.951 1.00 0.00 C ATOM 632 CG LYS A 39 -1.880 8.710 0.880 1.00 0.00 C ATOM 633 CD LYS A 39 -2.025 10.142 1.390 1.00 0.00 C ATOM 634 CE LYS A 39 -1.127 10.459 2.586 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.402 11.804 3.130 1.00 0.00 N ATOM 0 H LYS A 39 -4.589 6.435 2.347 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.457 6.335 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.785 8.040 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.192 7.372 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.876 8.578 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.576 8.556 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.794 10.833 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.064 10.316 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.280 9.712 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.082 10.395 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.537 12.188 3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.714 12.432 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.149 11.741 3.851 1.00 0.00 H new ATOM 649 N VAL A 40 -1.142 4.661 1.578 1.00 0.00 N ATOM 650 CA VAL A 40 -0.373 3.609 2.211 1.00 0.00 C ATOM 651 C VAL A 40 1.004 4.204 2.447 1.00 0.00 C ATOM 652 O VAL A 40 1.475 4.960 1.607 1.00 0.00 O ATOM 653 CB VAL A 40 -0.340 2.365 1.301 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.596 1.255 1.794 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.749 1.784 1.198 1.00 0.00 C ATOM 0 H VAL A 40 -0.692 5.027 0.739 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.803 3.272 3.154 1.00 0.00 H new ATOM 0 HB VAL A 40 0.040 2.704 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.562 0.416 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.615 1.637 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.277 0.922 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.733 0.904 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.100 1.503 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.420 2.531 0.774 1.00 0.00 H new ATOM 665 N VAL A 41 1.682 3.811 3.515 1.00 0.00 N ATOM 666 CA VAL A 41 3.132 3.851 3.557 1.00 0.00 C ATOM 667 C VAL A 41 3.571 2.403 3.718 1.00 0.00 C ATOM 668 O VAL A 41 2.929 1.638 4.437 1.00 0.00 O ATOM 669 CB VAL A 41 3.651 4.776 4.677 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.185 4.825 4.673 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.169 6.220 4.506 1.00 0.00 C ATOM 0 H VAL A 41 1.246 3.459 4.367 1.00 0.00 H new ATOM 0 HA VAL A 41 3.555 4.280 2.649 1.00 0.00 H new ATOM 0 HB VAL A 41 3.265 4.361 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.530 5.483 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.581 3.822 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.534 5.205 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.560 6.833 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.524 6.612 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.079 6.245 4.525 1.00 0.00 H new ATOM 681 N VAL A 42 4.654 2.028 3.052 1.00 0.00 N ATOM 682 CA VAL A 42 5.413 0.819 3.314 1.00 0.00 C ATOM 683 C VAL A 42 6.845 1.255 3.584 1.00 0.00 C ATOM 684 O VAL A 42 7.318 2.211 2.966 1.00 0.00 O ATOM 685 CB VAL A 42 5.331 -0.161 2.125 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.924 -0.761 2.010 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.723 0.480 0.781 1.00 0.00 C ATOM 0 H VAL A 42 5.040 2.580 2.286 1.00 0.00 H new ATOM 0 HA VAL A 42 5.008 0.282 4.172 1.00 0.00 H new ATOM 0 HB VAL A 42 6.056 -0.947 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.890 -1.449 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.682 -1.300 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.199 0.038 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.644 -0.263 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.054 1.313 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.749 0.844 0.837 1.00 0.00 H new ATOM 697 N GLU A 43 7.533 0.554 4.475 1.00 0.00 N ATOM 698 CA GLU A 43 8.969 0.629 4.650 1.00 0.00 C ATOM 699 C GLU A 43 9.528 -0.714 4.175 1.00 0.00 C ATOM 700 O GLU A 43 9.401 -1.722 4.877 1.00 0.00 O ATOM 701 CB GLU A 43 9.275 0.906 6.128 1.00 0.00 C ATOM 702 CG GLU A 43 10.768 1.132 6.419 1.00 0.00 C ATOM 703 CD GLU A 43 11.165 0.547 7.781 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.904 1.184 8.826 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.692 -0.593 7.818 1.00 0.00 O ATOM 0 H GLU A 43 7.088 -0.103 5.115 1.00 0.00 H new ATOM 0 HA GLU A 43 9.428 1.435 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.715 1.785 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.920 0.067 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.368 0.671 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.987 2.200 6.402 1.00 0.00 H new ATOM 712 N THR A 44 10.098 -0.757 2.975 1.00 0.00 N ATOM 713 CA THR A 44 10.908 -1.866 2.496 1.00 0.00 C ATOM 714 C THR A 44 11.951 -1.294 1.528 1.00 0.00 C ATOM 715 O THR A 44 11.878 -0.121 1.146 1.00 0.00 O ATOM 716 CB THR A 44 9.983 -2.949 1.897 1.00 0.00 C ATOM 717 OG1 THR A 44 10.711 -4.129 1.631 1.00 0.00 O ATOM 718 CG2 THR A 44 9.272 -2.491 0.618 1.00 0.00 C ATOM 0 H THR A 44 10.006 -0.003 2.294 1.00 0.00 H new ATOM 0 HA THR A 44 11.457 -2.368 3.293 1.00 0.00 H new ATOM 0 HB THR A 44 9.215 -3.142 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.111 -4.806 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.638 -3.296 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.659 -1.617 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.014 -2.235 -0.139 1.00 0.00 H new ATOM 726 N GLU A 45 12.926 -2.097 1.105 1.00 0.00 N ATOM 727 CA GLU A 45 13.776 -1.744 -0.025 1.00 0.00 C ATOM 728 C GLU A 45 13.019 -1.969 -1.330 1.00 0.00 C ATOM 729 O GLU A 45 13.049 -1.116 -2.217 1.00 0.00 O ATOM 730 CB GLU A 45 15.089 -2.533 0.021 1.00 0.00 C ATOM 731 CG GLU A 45 16.029 -1.934 1.077 1.00 0.00 C ATOM 732 CD GLU A 45 17.196 -2.859 1.413 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.756 -3.510 0.500 1.00 0.00 O ATOM 734 OE2 GLU A 45 17.550 -2.942 2.613 1.00 0.00 O ATOM 0 H GLU A 45 13.145 -2.998 1.530 1.00 0.00 H new ATOM 0 HA GLU A 45 14.036 -0.687 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.886 -3.578 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.569 -2.513 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.417 -0.982 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.463 -1.724 1.985 1.00 0.00 H new ATOM 741 N ASN A 46 12.341 -3.108 -1.453 1.00 0.00 N ATOM 742 CA ASN A 46 11.707 -3.563 -2.681 1.00 0.00 C ATOM 743 C ASN A 46 10.302 -2.978 -2.833 1.00 0.00 C ATOM 744 O ASN A 46 9.298 -3.690 -2.748 1.00 0.00 O ATOM 745 CB ASN A 46 11.719 -5.096 -2.755 1.00 0.00 C ATOM 746 CG ASN A 46 11.381 -5.581 -4.159 1.00 0.00 C ATOM 747 OD1 ASN A 46 10.921 -4.830 -5.010 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.618 -6.845 -4.447 1.00 0.00 N ATOM 0 H ASN A 46 12.216 -3.757 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 46 12.285 -3.194 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.701 -5.469 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.000 -5.503 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.418 -7.201 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.001 -7.467 -3.735 1.00 0.00 H new ATOM 755 N LEU A 47 10.226 -1.666 -3.076 1.00 0.00 N ATOM 756 CA LEU A 47 8.981 -1.008 -3.471 1.00 0.00 C ATOM 757 C LEU A 47 8.403 -1.671 -4.717 1.00 0.00 C ATOM 758 O LEU A 47 7.190 -1.790 -4.840 1.00 0.00 O ATOM 759 CB LEU A 47 9.232 0.480 -3.755 1.00 0.00 C ATOM 760 CG LEU A 47 7.997 1.241 -4.279 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.856 1.286 -3.260 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.391 2.664 -4.662 1.00 0.00 C ATOM 0 H LEU A 47 11.023 -1.034 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 47 8.269 -1.103 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.579 0.960 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.036 0.568 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 47 7.634 0.698 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.013 1.833 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.544 0.270 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.197 1.787 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.515 3.197 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.787 3.180 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.153 2.633 -5.441 1.00 0.00 H new ATOM 774 N ASP A 48 9.273 -2.098 -5.630 1.00 0.00 N ATOM 775 CA ASP A 48 8.925 -2.679 -6.919 1.00 0.00 C ATOM 776 C ASP A 48 7.886 -3.787 -6.772 1.00 0.00 C ATOM 777 O ASP A 48 6.828 -3.757 -7.409 1.00 0.00 O ATOM 778 CB ASP A 48 10.205 -3.204 -7.590 1.00 0.00 C ATOM 779 CG ASP A 48 10.274 -2.758 -9.033 1.00 0.00 C ATOM 780 OD1 ASP A 48 9.401 -3.189 -9.821 1.00 0.00 O ATOM 781 OD2 ASP A 48 11.187 -1.956 -9.335 1.00 0.00 O ATOM 0 H ASP A 48 10.281 -2.045 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 48 8.475 -1.910 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.080 -2.841 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.228 -4.293 -7.539 1.00 0.00 H new ATOM 786 N SER A 49 8.173 -4.732 -5.876 1.00 0.00 N ATOM 787 CA SER A 49 7.315 -5.857 -5.560 1.00 0.00 C ATOM 788 C SER A 49 6.021 -5.394 -4.887 1.00 0.00 C ATOM 789 O SER A 49 4.963 -5.930 -5.202 1.00 0.00 O ATOM 790 CB SER A 49 8.075 -6.861 -4.692 1.00 0.00 C ATOM 791 OG SER A 49 7.583 -8.169 -4.898 1.00 0.00 O ATOM 0 H SER A 49 9.039 -4.728 -5.337 1.00 0.00 H new ATOM 0 HA SER A 49 7.029 -6.353 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.138 -6.825 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.975 -6.590 -3.641 1.00 0.00 H new ATOM 0 HG SER A 49 8.082 -8.798 -4.336 1.00 0.00 H new ATOM 797 N VAL A 50 6.067 -4.379 -4.007 1.00 0.00 N ATOM 798 CA VAL A 50 4.865 -3.811 -3.392 1.00 0.00 C ATOM 799 C VAL A 50 3.939 -3.278 -4.493 1.00 0.00 C ATOM 800 O VAL A 50 2.746 -3.566 -4.471 1.00 0.00 O ATOM 801 CB VAL A 50 5.203 -2.684 -2.385 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.922 -2.183 -1.697 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.233 -3.019 -1.289 1.00 0.00 C ATOM 0 H VAL A 50 6.935 -3.935 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 50 4.365 -4.601 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 50 5.673 -1.924 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.174 -1.391 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.234 -1.795 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.449 -3.007 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.381 -2.148 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.867 -3.852 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.180 -3.295 -1.752 1.00 0.00 H new ATOM 813 N LEU A 51 4.459 -2.504 -5.451 1.00 0.00 N ATOM 814 CA LEU A 51 3.661 -1.913 -6.524 1.00 0.00 C ATOM 815 C LEU A 51 2.965 -3.013 -7.320 1.00 0.00 C ATOM 816 O LEU A 51 1.765 -2.911 -7.580 1.00 0.00 O ATOM 817 CB LEU A 51 4.547 -1.045 -7.437 1.00 0.00 C ATOM 818 CG LEU A 51 5.072 0.236 -6.761 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.077 0.933 -7.681 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.959 1.218 -6.365 1.00 0.00 C ATOM 0 H LEU A 51 5.451 -2.270 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 51 2.898 -1.269 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.396 -1.640 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.977 -0.769 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 51 5.556 -0.076 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.445 1.838 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.913 0.263 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.590 1.195 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.400 2.097 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.407 1.521 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.279 0.734 -5.664 1.00 0.00 H new ATOM 832 N LYS A 52 3.685 -4.085 -7.654 1.00 0.00 N ATOM 833 CA LYS A 52 3.125 -5.218 -8.378 1.00 0.00 C ATOM 834 C LYS A 52 2.124 -5.979 -7.520 1.00 0.00 C ATOM 835 O LYS A 52 1.105 -6.413 -8.040 1.00 0.00 O ATOM 836 CB LYS A 52 4.250 -6.134 -8.898 1.00 0.00 C ATOM 837 CG LYS A 52 4.762 -5.655 -10.265 1.00 0.00 C ATOM 838 CD LYS A 52 3.793 -6.044 -11.395 1.00 0.00 C ATOM 839 CE LYS A 52 4.027 -5.241 -12.674 1.00 0.00 C ATOM 840 NZ LYS A 52 5.215 -5.697 -13.418 1.00 0.00 N ATOM 0 H LYS A 52 4.674 -4.188 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 52 2.579 -4.840 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.072 -6.148 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.882 -7.157 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.889 -4.573 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.743 -6.088 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.903 -7.106 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.768 -5.892 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.149 -5.320 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.143 -4.187 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.329 -5.121 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.059 -5.597 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.096 -6.695 -13.685 1.00 0.00 H new ATOM 854 N LYS A 53 2.364 -6.110 -6.213 1.00 0.00 N ATOM 855 CA LYS A 53 1.434 -6.771 -5.308 1.00 0.00 C ATOM 856 C LYS A 53 0.112 -6.013 -5.274 1.00 0.00 C ATOM 857 O LYS A 53 -0.947 -6.637 -5.267 1.00 0.00 O ATOM 858 CB LYS A 53 2.065 -6.886 -3.908 1.00 0.00 C ATOM 859 CG LYS A 53 1.316 -7.842 -2.971 1.00 0.00 C ATOM 860 CD LYS A 53 1.243 -9.259 -3.555 1.00 0.00 C ATOM 861 CE LYS A 53 0.986 -10.314 -2.471 1.00 0.00 C ATOM 862 NZ LYS A 53 0.902 -11.678 -3.039 1.00 0.00 N ATOM 0 H LYS A 53 3.207 -5.760 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 53 1.226 -7.780 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.096 -7.225 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.099 -5.897 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.817 -7.871 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.308 -7.467 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.449 -9.304 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.176 -9.488 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.786 -10.277 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.058 -10.080 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.118 -12.376 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.058 -11.844 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.587 -11.774 -3.815 1.00 0.00 H new ATOM 876 N LEU A 54 0.175 -4.682 -5.235 1.00 0.00 N ATOM 877 CA LEU A 54 -0.990 -3.802 -5.277 1.00 0.00 C ATOM 878 C LEU A 54 -1.759 -3.985 -6.586 1.00 0.00 C ATOM 879 O LEU A 54 -2.981 -4.138 -6.574 1.00 0.00 O ATOM 880 CB LEU A 54 -0.524 -2.349 -5.100 1.00 0.00 C ATOM 881 CG LEU A 54 -0.472 -1.849 -3.646 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.828 -1.259 -3.235 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.048 -2.866 -2.573 1.00 0.00 C ATOM 0 H LEU A 54 1.058 -4.175 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.672 -4.057 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.469 -2.247 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.191 -1.699 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 54 0.323 -1.103 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.775 -0.910 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.074 -0.423 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.599 -2.025 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.053 -2.386 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.746 -3.704 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.955 -3.230 -2.793 1.00 0.00 H new ATOM 895 N GLU A 55 -1.049 -3.988 -7.712 1.00 0.00 N ATOM 896 CA GLU A 55 -1.640 -4.180 -9.030 1.00 0.00 C ATOM 897 C GLU A 55 -2.314 -5.550 -9.121 1.00 0.00 C ATOM 898 O GLU A 55 -3.421 -5.661 -9.649 1.00 0.00 O ATOM 899 CB GLU A 55 -0.543 -4.041 -10.092 1.00 0.00 C ATOM 900 CG GLU A 55 -0.142 -2.571 -10.276 1.00 0.00 C ATOM 901 CD GLU A 55 1.260 -2.369 -10.869 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.844 -3.311 -11.452 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.781 -1.237 -10.724 1.00 0.00 O ATOM 0 H GLU A 55 -0.038 -3.856 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.405 -3.423 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.329 -4.626 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.895 -4.447 -11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.872 -2.086 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.191 -2.069 -9.310 1.00 0.00 H new ATOM 910 N GLU A 56 -1.677 -6.592 -8.584 1.00 0.00 N ATOM 911 CA GLU A 56 -2.205 -7.946 -8.590 1.00 0.00 C ATOM 912 C GLU A 56 -3.503 -8.056 -7.801 1.00 0.00 C ATOM 913 O GLU A 56 -4.366 -8.849 -8.178 1.00 0.00 O ATOM 914 CB GLU A 56 -1.196 -8.942 -8.005 1.00 0.00 C ATOM 915 CG GLU A 56 -0.235 -9.519 -9.049 1.00 0.00 C ATOM 916 CD GLU A 56 0.099 -10.956 -8.677 1.00 0.00 C ATOM 917 OE1 GLU A 56 1.087 -11.185 -7.934 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.710 -11.855 -9.002 1.00 0.00 O ATOM 0 H GLU A 56 -0.768 -6.512 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.400 -8.189 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.618 -8.446 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.738 -9.760 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.689 -9.483 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.675 -8.921 -9.094 1.00 0.00 H new ATOM 925 N ILE A 57 -3.665 -7.328 -6.696 1.00 0.00 N ATOM 926 CA ILE A 57 -4.921 -7.331 -5.946 1.00 0.00 C ATOM 927 C ILE A 57 -5.976 -6.428 -6.605 1.00 0.00 C ATOM 928 O ILE A 57 -7.025 -6.184 -6.004 1.00 0.00 O ATOM 929 CB ILE A 57 -4.703 -7.057 -4.444 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.193 -5.631 -4.172 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.786 -8.129 -3.834 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.280 -5.167 -2.717 1.00 0.00 C ATOM 0 H ILE A 57 -2.941 -6.728 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.333 -8.339 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.673 -7.121 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.153 -5.568 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.761 -4.936 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.641 -7.923 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.244 -9.111 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.822 -8.115 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.896 -4.150 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.319 -5.189 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.687 -5.831 -2.087 1.00 0.00 H new ATOM 944 N ASP A 58 -5.725 -5.968 -7.838 1.00 0.00 N ATOM 945 CA ASP A 58 -6.624 -5.203 -8.700 1.00 0.00 C ATOM 946 C ASP A 58 -6.741 -3.743 -8.256 1.00 0.00 C ATOM 947 O ASP A 58 -7.658 -3.054 -8.693 1.00 0.00 O ATOM 948 CB ASP A 58 -8.003 -5.879 -8.776 1.00 0.00 C ATOM 949 CG ASP A 58 -8.775 -5.581 -10.058 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.337 -6.042 -11.138 1.00 0.00 O ATOM 951 OD2 ASP A 58 -9.866 -4.976 -9.966 1.00 0.00 O ATOM 0 H ASP A 58 -4.824 -6.134 -8.287 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.192 -5.192 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.872 -6.957 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.600 -5.558 -7.922 1.00 0.00 H new ATOM 956 N TYR A 59 -5.810 -3.253 -7.424 1.00 0.00 N ATOM 957 CA TYR A 59 -5.834 -1.914 -6.841 1.00 0.00 C ATOM 958 C TYR A 59 -4.644 -1.123 -7.418 1.00 0.00 C ATOM 959 O TYR A 59 -3.597 -1.023 -6.771 1.00 0.00 O ATOM 960 CB TYR A 59 -5.728 -1.950 -5.303 1.00 0.00 C ATOM 961 CG TYR A 59 -6.941 -2.276 -4.450 1.00 0.00 C ATOM 962 CD1 TYR A 59 -8.031 -3.037 -4.921 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.951 -1.792 -3.127 1.00 0.00 C ATOM 964 CE1 TYR A 59 -9.100 -3.346 -4.059 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.014 -2.091 -2.262 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.080 -2.898 -2.720 1.00 0.00 C ATOM 967 OH TYR A 59 -10.033 -3.295 -1.839 1.00 0.00 O ATOM 0 H TYR A 59 -4.998 -3.798 -7.133 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.784 -1.441 -7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.955 -2.676 -5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.364 -0.973 -4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.045 -3.383 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.131 -1.184 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.936 -3.926 -4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.018 -1.707 -1.253 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.692 -2.579 -1.725 1.00 0.00 H new ATOM 977 N PRO A 60 -4.766 -0.552 -8.626 1.00 0.00 N ATOM 978 CA PRO A 60 -3.706 0.222 -9.253 1.00 0.00 C ATOM 979 C PRO A 60 -3.442 1.491 -8.442 1.00 0.00 C ATOM 980 O PRO A 60 -4.363 2.276 -8.171 1.00 0.00 O ATOM 981 CB PRO A 60 -4.184 0.502 -10.681 1.00 0.00 C ATOM 982 CG PRO A 60 -5.702 0.377 -10.600 1.00 0.00 C ATOM 983 CD PRO A 60 -5.910 -0.665 -9.509 1.00 0.00 C ATOM 0 HA PRO A 60 -2.753 -0.306 -9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.884 1.496 -11.014 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.763 -0.212 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.171 1.327 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.130 0.056 -11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.839 -0.484 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.978 -1.667 -9.934 1.00 0.00 H new ATOM 991 N VAL A 61 -2.186 1.675 -8.038 1.00 0.00 N ATOM 992 CA VAL A 61 -1.680 2.872 -7.385 1.00 0.00 C ATOM 993 C VAL A 61 -1.805 4.029 -8.394 1.00 0.00 C ATOM 994 O VAL A 61 -1.570 3.834 -9.587 1.00 0.00 O ATOM 995 CB VAL A 61 -0.221 2.585 -6.942 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.405 3.766 -6.193 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.117 1.351 -6.023 1.00 0.00 C ATOM 0 H VAL A 61 -1.467 0.962 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.238 3.152 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 61 0.319 2.404 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.426 3.514 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.416 4.643 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.181 3.982 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.924 1.194 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.715 1.514 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.487 0.472 -6.551 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.205 5.223 -7.953 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.195 6.411 -8.802 1.00 0.00 C ATOM 1009 C GLU A 62 -0.735 6.832 -9.006 1.00 0.00 C ATOM 1010 O GLU A 62 -0.243 6.879 -10.135 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.070 7.526 -8.187 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.203 8.739 -9.124 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.189 9.822 -8.653 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.432 9.629 -8.668 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.735 10.946 -8.338 1.00 0.00 O ATOM 0 H GLU A 62 -2.542 5.391 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.632 6.200 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.061 7.129 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.636 7.846 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.220 9.193 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.516 8.387 -10.107 1.00 0.00 H new ATOM 1022 N SER A 63 -0.029 7.117 -7.910 1.00 0.00 N ATOM 1023 CA SER A 63 1.388 7.455 -7.837 1.00 0.00 C ATOM 1024 C SER A 63 1.868 7.276 -6.391 1.00 0.00 C ATOM 1025 O SER A 63 1.097 6.855 -5.523 1.00 0.00 O ATOM 1026 CB SER A 63 1.591 8.890 -8.342 1.00 0.00 C ATOM 1027 OG SER A 63 1.621 8.889 -9.760 1.00 0.00 O ATOM 0 H SER A 63 -0.465 7.117 -6.988 1.00 0.00 H new ATOM 0 HA SER A 63 1.980 6.795 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.785 9.531 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.522 9.298 -7.948 1.00 0.00 H new ATOM 0 HG SER A 63 1.074 8.150 -10.098 1.00 0.00 H new ATOM 1033 N TYR A 64 3.147 7.534 -6.134 1.00 0.00 N ATOM 1034 CA TYR A 64 3.802 7.424 -4.840 1.00 0.00 C ATOM 1035 C TYR A 64 4.909 8.488 -4.758 1.00 0.00 C ATOM 1036 O TYR A 64 5.209 9.150 -5.748 1.00 0.00 O ATOM 1037 CB TYR A 64 4.378 6.009 -4.667 1.00 0.00 C ATOM 1038 CG TYR A 64 5.216 5.516 -5.826 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.590 5.818 -5.898 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.599 4.773 -6.851 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.345 5.354 -6.990 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.350 4.318 -7.944 1.00 0.00 C ATOM 1043 CZ TYR A 64 6.730 4.595 -8.012 1.00 0.00 C ATOM 1044 OH TYR A 64 7.452 4.115 -9.057 1.00 0.00 O ATOM 0 H TYR A 64 3.787 7.842 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 64 3.086 7.594 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.987 5.988 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.553 5.313 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.060 6.402 -5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.543 4.553 -6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.400 5.579 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.872 3.756 -8.733 1.00 0.00 H new ATOM 0 HH TYR A 64 6.862 3.616 -9.660 1.00 0.00 H new ATOM 1054 N GLN A 65 5.547 8.645 -3.597 1.00 0.00 N ATOM 1055 CA GLN A 65 6.832 9.302 -3.420 1.00 0.00 C ATOM 1056 C GLN A 65 7.493 8.700 -2.176 1.00 0.00 C ATOM 1057 O GLN A 65 6.851 7.997 -1.397 1.00 0.00 O ATOM 1058 CB GLN A 65 6.714 10.837 -3.327 1.00 0.00 C ATOM 1059 CG GLN A 65 5.905 11.361 -2.141 1.00 0.00 C ATOM 1060 CD GLN A 65 6.087 12.858 -1.873 1.00 0.00 C ATOM 1061 OE1 GLN A 65 7.014 13.511 -2.365 1.00 0.00 O ATOM 1062 NE2 GLN A 65 5.224 13.435 -1.053 1.00 0.00 N ATOM 0 H GLN A 65 5.160 8.300 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 65 7.451 9.126 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.718 11.259 -3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.260 11.206 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.848 11.160 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.189 10.806 -1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.461 12.891 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.321 14.424 -0.824 1.00 0.00 H new ATOM 1071 N GLU A 66 8.782 8.947 -1.998 1.00 0.00 N ATOM 1072 CA GLU A 66 9.552 8.692 -0.776 1.00 0.00 C ATOM 1073 C GLU A 66 8.971 9.430 0.446 1.00 0.00 C ATOM 1074 O GLU A 66 8.167 10.352 0.283 1.00 0.00 O ATOM 1075 CB GLU A 66 11.001 9.143 -1.035 1.00 0.00 C ATOM 1076 CG GLU A 66 12.018 8.105 -0.561 1.00 0.00 C ATOM 1077 CD GLU A 66 13.422 8.491 -1.026 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.063 9.353 -0.386 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.861 7.974 -2.084 1.00 0.00 O ATOM 0 H GLU A 66 9.355 9.352 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 66 9.508 7.628 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.139 9.325 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.183 10.088 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.994 8.032 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.755 7.122 -0.952 1.00 0.00 H new ATOM 1086 N VAL A 67 9.395 9.071 1.667 1.00 0.00 N ATOM 1087 CA VAL A 67 9.032 9.799 2.886 1.00 0.00 C ATOM 1088 C VAL A 67 10.230 9.847 3.816 1.00 0.00 C ATOM 1089 O VAL A 67 10.597 10.969 4.225 1.00 0.00 O ATOM 1090 CB VAL A 67 7.819 9.182 3.615 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.172 10.238 4.510 1.00 0.00 C ATOM 1092 CG2 VAL A 67 6.769 8.516 2.727 1.00 0.00 C ATOM 0 H VAL A 67 10.000 8.267 1.834 1.00 0.00 H new ATOM 0 HA VAL A 67 8.739 10.807 2.591 1.00 0.00 H new ATOM 0 HB VAL A 67 8.227 8.359 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.315 9.803 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.898 10.587 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.840 11.078 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.966 8.119 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.362 9.250 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.230 7.702 2.166 1.00 0.00 H new TER 1102 VAL A 67