USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -1.29! C(o=-0.26!,f=-0.96!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 1.03 K(o=-0.26,f=-8.4!) USER MOD Set 2.1: A 44 THR OG1 : rot -101:sc= 0.89 USER MOD Set 2.2: B 149 LYS NZ :NH3+ -127:sc= 0.944 (180deg=-0.0228) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.214 X(o=0.38,f=0.11) USER MOD Set 3.2: A 34 GLN : amide:sc= 0.161 X(o=0.38,f=0.11) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00508) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.23 (180deg=1.18) USER MOD Single : A 3 THR OG1 : rot 144:sc= 1.45 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -147:sc= 1.24 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.09!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 54:sc= 1.11 USER MOD Single : A 26 ASN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 33 TYR OH : rot 124:sc= 1.23 USER MOD Single : A 35 TYR OH : rot -3:sc= 1.28 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 1.72 (180deg=1.22) USER MOD Single : A 49 GLN : amide:sc= 0.422 X(o=0.42,f=-0.022) USER MOD Single : A 50 GLN : amide:sc= 0.707 K(o=0.71,f=-0.0013) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.878 (180deg=0.485) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= 0.836 USER MOD Single : A 66 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.081) USER MOD Single : A 67 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.02) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : B 145 SER OG : rot 180:sc=-0.000602 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.371 -16.305 -0.851 1.00 1.00 N ATOM 2 CA MET A 1 12.844 -14.924 -0.902 1.00 1.00 C ATOM 3 C MET A 1 13.825 -13.909 -0.315 1.00 1.00 C ATOM 4 O MET A 1 14.174 -14.019 0.858 1.00 1.00 O ATOM 5 CB MET A 1 11.485 -14.832 -0.181 1.00 1.00 C ATOM 6 CG MET A 1 10.805 -13.462 -0.372 1.00 1.00 C ATOM 7 SD MET A 1 9.131 -13.535 -1.048 1.00 1.00 S ATOM 8 CE MET A 1 9.512 -14.123 -2.723 1.00 1.00 C ATOM 0 H1 MET A 1 12.624 -16.972 -1.132 1.00 1.00 H new ATOM 0 H2 MET A 1 14.177 -16.393 -1.502 1.00 1.00 H new ATOM 0 H3 MET A 1 13.683 -16.522 0.117 1.00 1.00 H new ATOM 0 HA MET A 1 12.706 -14.675 -1.954 1.00 1.00 H new ATOM 0 HB2 MET A 1 10.826 -15.616 -0.554 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.629 -15.017 0.883 1.00 1.00 H new ATOM 0 HG2 MET A 1 10.771 -12.952 0.590 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.423 -12.855 -1.033 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.596 -14.160 -3.313 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.221 -13.442 -3.195 1.00 1.00 H new ATOM 0 HE3 MET A 1 9.948 -15.120 -2.668 1.00 1.00 H new ATOM 20 N GLN A 2 14.218 -12.881 -1.084 1.00 1.00 N ATOM 21 CA GLN A 2 15.018 -11.729 -0.601 1.00 1.00 C ATOM 22 C GLN A 2 14.235 -10.408 -0.755 1.00 1.00 C ATOM 23 O GLN A 2 13.832 -10.060 -1.858 1.00 1.00 O ATOM 24 CB GLN A 2 16.397 -11.622 -1.278 1.00 1.00 C ATOM 25 CG GLN A 2 17.516 -11.111 -0.331 1.00 1.00 C ATOM 26 CD GLN A 2 18.341 -9.955 -0.907 1.00 1.00 C ATOM 27 OE1 GLN A 2 18.731 -9.935 -2.065 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.636 -8.937 -0.140 1.00 1.00 N ATOM 0 H GLN A 2 13.988 -12.820 -2.076 1.00 1.00 H new ATOM 0 HA GLN A 2 15.203 -11.911 0.458 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.679 -12.601 -1.665 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.322 -10.950 -2.133 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.065 -10.789 0.607 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.185 -11.939 -0.096 1.00 1.00 H new ATOM 0 HE21 GLN A 2 18.325 -8.923 0.831 1.00 1.00 H new ATOM 0 HE22 GLN A 2 19.177 -8.157 -0.513 1.00 1.00 H new ATOM 37 N THR A 3 14.009 -9.676 0.331 1.00 1.00 N ATOM 38 CA THR A 3 13.135 -8.469 0.407 1.00 1.00 C ATOM 39 C THR A 3 13.882 -7.217 0.874 1.00 1.00 C ATOM 40 O THR A 3 14.431 -7.200 1.974 1.00 1.00 O ATOM 41 CB THR A 3 11.905 -8.698 1.301 1.00 1.00 C ATOM 42 OG1 THR A 3 11.163 -9.783 0.796 1.00 1.00 O ATOM 43 CG2 THR A 3 10.951 -7.499 1.326 1.00 1.00 C ATOM 0 H THR A 3 14.438 -9.901 1.228 1.00 1.00 H new ATOM 0 HA THR A 3 12.800 -8.298 -0.616 1.00 1.00 H new ATOM 0 HB THR A 3 12.286 -8.873 2.307 1.00 1.00 H new ATOM 0 HG1 THR A 3 10.787 -10.297 1.541 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.103 -7.722 1.974 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.477 -6.623 1.706 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.593 -7.298 0.316 1.00 1.00 H new ATOM 51 N VAL A 4 13.887 -6.158 0.059 1.00 1.00 N ATOM 52 CA VAL A 4 14.661 -4.904 0.231 1.00 1.00 C ATOM 53 C VAL A 4 13.734 -3.700 0.463 1.00 1.00 C ATOM 54 O VAL A 4 12.794 -3.473 -0.297 1.00 1.00 O ATOM 55 CB VAL A 4 15.625 -4.657 -0.959 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.582 -3.487 -0.667 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.465 -5.909 -1.299 1.00 1.00 C ATOM 0 H VAL A 4 13.322 -6.142 -0.790 1.00 1.00 H new ATOM 0 HA VAL A 4 15.275 -5.023 1.124 1.00 1.00 H new ATOM 0 HB VAL A 4 14.994 -4.414 -1.814 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.245 -3.338 -1.519 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.004 -2.579 -0.494 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.175 -3.714 0.219 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.125 -5.688 -2.138 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.063 -6.192 -0.433 1.00 1.00 H new ATOM 0 HG23 VAL A 4 15.801 -6.731 -1.566 1.00 1.00 H new ATOM 67 N ILE A 5 13.995 -2.928 1.524 1.00 1.00 N ATOM 68 CA ILE A 5 13.162 -1.824 2.048 1.00 1.00 C ATOM 69 C ILE A 5 13.876 -0.464 1.958 1.00 1.00 C ATOM 70 O ILE A 5 14.919 -0.258 2.585 1.00 1.00 O ATOM 71 CB ILE A 5 12.724 -2.109 3.509 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.133 -3.537 3.736 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.720 -1.032 3.977 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.066 -4.466 4.527 1.00 1.00 C ATOM 0 H ILE A 5 14.842 -3.060 2.077 1.00 1.00 H new ATOM 0 HA ILE A 5 12.274 -1.769 1.418 1.00 1.00 H new ATOM 0 HB ILE A 5 13.633 -2.068 4.110 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.185 -3.449 4.267 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.916 -3.990 2.769 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.417 -1.239 5.003 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.191 -0.050 3.928 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.843 -1.046 3.330 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.593 -5.440 4.648 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.006 -4.583 3.987 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.263 -4.034 5.508 1.00 1.00 H new ATOM 86 N PHE A 6 13.278 0.474 1.217 1.00 1.00 N ATOM 87 CA PHE A 6 13.803 1.808 0.898 1.00 1.00 C ATOM 88 C PHE A 6 13.190 2.905 1.797 1.00 1.00 C ATOM 89 O PHE A 6 12.109 3.429 1.534 1.00 1.00 O ATOM 90 CB PHE A 6 13.625 2.067 -0.609 1.00 1.00 C ATOM 91 CG PHE A 6 14.536 1.204 -1.479 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.130 -0.097 -1.860 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.813 1.673 -1.872 1.00 1.00 C ATOM 94 CE1 PHE A 6 14.983 -0.907 -2.642 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.659 0.868 -2.665 1.00 1.00 C ATOM 96 CZ PHE A 6 16.241 -0.421 -3.053 1.00 1.00 C ATOM 0 H PHE A 6 12.361 0.315 0.799 1.00 1.00 H new ATOM 0 HA PHE A 6 14.870 1.845 1.119 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.587 1.879 -0.883 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.824 3.118 -0.817 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.165 -0.472 -1.552 1.00 1.00 H new ATOM 0 HD2 PHE A 6 16.142 2.654 -1.563 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.671 -1.901 -2.926 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.625 1.239 -2.974 1.00 1.00 H new ATOM 0 HZ PHE A 6 16.884 -1.036 -3.665 1.00 1.00 H new ATOM 106 N GLY A 7 13.901 3.255 2.874 1.00 1.00 N ATOM 107 CA GLY A 7 13.597 4.286 3.873 1.00 1.00 C ATOM 108 C GLY A 7 12.655 3.930 5.027 1.00 1.00 C ATOM 109 O GLY A 7 11.562 4.497 5.092 1.00 1.00 O ATOM 0 H GLY A 7 14.780 2.784 3.088 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.541 4.617 4.306 1.00 1.00 H new ATOM 0 HA3 GLY A 7 13.170 5.141 3.348 1.00 1.00 H new ATOM 113 N ARG A 8 13.077 3.072 5.976 1.00 1.00 N ATOM 114 CA ARG A 8 12.352 2.761 7.242 1.00 1.00 C ATOM 115 C ARG A 8 12.019 4.035 8.046 1.00 1.00 C ATOM 116 O ARG A 8 10.913 4.151 8.573 1.00 1.00 O ATOM 117 CB ARG A 8 13.170 1.786 8.126 1.00 1.00 C ATOM 118 CG ARG A 8 12.357 1.202 9.307 1.00 1.00 C ATOM 119 CD ARG A 8 13.221 0.671 10.466 1.00 1.00 C ATOM 120 NE ARG A 8 12.411 -0.060 11.476 1.00 1.00 N ATOM 121 CZ ARG A 8 12.688 -0.295 12.740 1.00 1.00 C ATOM 122 NH1 ARG A 8 13.769 0.072 13.329 1.00 1.00 N ATOM 123 NH2 ARG A 8 11.867 -0.959 13.467 1.00 1.00 N ATOM 0 H ARG A 8 13.954 2.558 5.889 1.00 1.00 H new ATOM 0 HA ARG A 8 11.414 2.285 6.957 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.538 0.968 7.507 1.00 1.00 H new ATOM 0 HB3 ARG A 8 14.043 2.307 8.518 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.689 1.973 9.690 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.729 0.392 8.936 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.991 0.008 10.070 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.734 1.504 10.947 1.00 1.00 H new ATOM 0 HE ARG A 8 11.520 -0.429 11.144 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.484 0.583 12.811 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.912 -0.148 14.315 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.996 -1.307 13.065 1.00 1.00 H new ATOM 0 HH22 ARG A 8 12.085 -1.140 14.447 1.00 1.00 H new ATOM 137 N SER A 9 12.974 4.968 8.152 1.00 1.00 N ATOM 138 CA SER A 9 12.864 6.248 8.877 1.00 1.00 C ATOM 139 C SER A 9 12.270 7.397 8.039 1.00 1.00 C ATOM 140 O SER A 9 12.694 7.630 6.901 1.00 1.00 O ATOM 141 CB SER A 9 14.219 6.664 9.443 1.00 1.00 C ATOM 142 OG SER A 9 14.078 7.617 10.485 1.00 1.00 O ATOM 0 H SER A 9 13.888 4.849 7.716 1.00 1.00 H new ATOM 0 HA SER A 9 12.160 6.064 9.688 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.742 5.785 9.821 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.834 7.083 8.646 1.00 1.00 H new ATOM 0 HG SER A 9 14.963 7.861 10.827 1.00 1.00 H new ATOM 148 N GLY A 10 11.292 8.101 8.623 1.00 1.00 N ATOM 149 CA GLY A 10 10.521 9.229 8.064 1.00 1.00 C ATOM 150 C GLY A 10 8.985 9.145 8.150 1.00 1.00 C ATOM 151 O GLY A 10 8.323 10.160 7.940 1.00 1.00 O ATOM 0 H GLY A 10 10.993 7.883 9.573 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.838 10.140 8.572 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.795 9.338 7.015 1.00 1.00 H new ATOM 155 N CYS A 11 8.425 7.964 8.441 1.00 1.00 N ATOM 156 CA CYS A 11 6.990 7.648 8.586 1.00 1.00 C ATOM 157 C CYS A 11 6.717 6.308 9.341 1.00 1.00 C ATOM 158 O CYS A 11 7.408 5.312 9.078 1.00 1.00 O ATOM 159 CB CYS A 11 6.350 7.655 7.187 1.00 1.00 C ATOM 160 SG CYS A 11 7.168 6.599 5.953 1.00 1.00 S ATOM 0 H CYS A 11 9.004 7.138 8.594 1.00 1.00 H new ATOM 0 HA CYS A 11 6.534 8.413 9.214 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.311 7.339 7.279 1.00 1.00 H new ATOM 0 HB3 CYS A 11 6.340 8.680 6.815 1.00 1.00 H new ATOM 165 N PRO A 12 5.704 6.208 10.240 1.00 1.00 N ATOM 166 CA PRO A 12 5.397 4.978 11.008 1.00 1.00 C ATOM 167 C PRO A 12 4.923 3.789 10.138 1.00 1.00 C ATOM 168 O PRO A 12 5.218 2.633 10.453 1.00 1.00 O ATOM 169 CB PRO A 12 4.349 5.395 12.052 1.00 1.00 C ATOM 170 CG PRO A 12 3.649 6.590 11.406 1.00 1.00 C ATOM 171 CD PRO A 12 4.771 7.266 10.616 1.00 1.00 C ATOM 0 HA PRO A 12 6.304 4.592 11.474 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.649 4.586 12.262 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.814 5.668 12.999 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.832 6.275 10.757 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.223 7.259 12.153 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.376 7.768 9.733 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.268 8.026 11.219 1.00 1.00 H new ATOM 179 N TYR A 13 4.254 4.058 9.008 1.00 1.00 N ATOM 180 CA TYR A 13 3.869 3.075 7.977 1.00 1.00 C ATOM 181 C TYR A 13 5.076 2.355 7.331 1.00 1.00 C ATOM 182 O TYR A 13 5.030 1.140 7.139 1.00 1.00 O ATOM 183 CB TYR A 13 2.987 3.767 6.919 1.00 1.00 C ATOM 184 CG TYR A 13 1.734 4.459 7.450 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.914 3.819 8.411 1.00 1.00 C ATOM 186 CD2 TYR A 13 1.376 5.745 6.974 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.244 4.460 8.903 1.00 1.00 C ATOM 188 CE2 TYR A 13 0.215 6.387 7.465 1.00 1.00 C ATOM 189 CZ TYR A 13 -0.596 5.743 8.429 1.00 1.00 C ATOM 190 OH TYR A 13 -1.762 6.308 8.824 1.00 1.00 O ATOM 0 H TYR A 13 3.953 5.004 8.775 1.00 1.00 H new ATOM 0 HA TYR A 13 3.300 2.286 8.469 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.593 4.506 6.395 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.684 3.023 6.182 1.00 1.00 H new ATOM 0 HD1 TYR A 13 1.176 2.835 8.770 1.00 1.00 H new ATOM 0 HD2 TYR A 13 1.991 6.236 6.235 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.860 3.969 9.642 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -0.052 7.369 7.104 1.00 1.00 H new ATOM 0 HH TYR A 13 -1.854 7.191 8.410 1.00 1.00 H new ATOM 200 N SER A 14 6.185 3.072 7.078 1.00 1.00 N ATOM 201 CA SER A 14 7.462 2.498 6.593 1.00 1.00 C ATOM 202 C SER A 14 8.130 1.547 7.575 1.00 1.00 C ATOM 203 O SER A 14 8.636 0.495 7.175 1.00 1.00 O ATOM 204 CB SER A 14 8.453 3.586 6.215 1.00 1.00 C ATOM 205 OG SER A 14 9.438 3.027 5.395 1.00 1.00 O ATOM 0 H SER A 14 6.224 4.083 7.205 1.00 1.00 H new ATOM 0 HA SER A 14 7.183 1.917 5.714 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.944 4.397 5.695 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.904 4.014 7.110 1.00 1.00 H new ATOM 0 HG SER A 14 10.292 3.480 5.554 1.00 1.00 H new ATOM 211 N VAL A 15 8.084 1.890 8.872 1.00 1.00 N ATOM 212 CA VAL A 15 8.524 0.987 9.948 1.00 1.00 C ATOM 213 C VAL A 15 7.718 -0.306 9.872 1.00 1.00 C ATOM 214 O VAL A 15 8.345 -1.346 9.721 1.00 1.00 O ATOM 215 CB VAL A 15 8.425 1.598 11.360 1.00 1.00 C ATOM 216 CG1 VAL A 15 8.809 0.549 12.421 1.00 1.00 C ATOM 217 CG2 VAL A 15 9.319 2.840 11.463 1.00 1.00 C ATOM 0 H VAL A 15 7.744 2.793 9.203 1.00 1.00 H new ATOM 0 HA VAL A 15 9.585 0.794 9.787 1.00 1.00 H new ATOM 0 HB VAL A 15 7.395 1.905 11.544 1.00 1.00 H new ATOM 0 HG11 VAL A 15 8.735 0.992 13.414 1.00 1.00 H new ATOM 0 HG12 VAL A 15 8.132 -0.303 12.352 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.832 0.214 12.248 1.00 1.00 H new ATOM 0 HG21 VAL A 15 9.241 3.263 12.465 1.00 1.00 H new ATOM 0 HG22 VAL A 15 10.354 2.560 11.267 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.998 3.581 10.731 1.00 1.00 H new ATOM 227 N ARG A 16 6.369 -0.240 9.829 1.00 1.00 N ATOM 228 CA ARG A 16 5.487 -1.418 9.651 1.00 1.00 C ATOM 229 C ARG A 16 5.794 -2.227 8.376 1.00 1.00 C ATOM 230 O ARG A 16 5.976 -3.437 8.466 1.00 1.00 O ATOM 231 CB ARG A 16 4.004 -0.975 9.647 1.00 1.00 C ATOM 232 CG ARG A 16 3.477 -0.421 10.991 1.00 1.00 C ATOM 233 CD ARG A 16 2.043 -0.880 11.342 1.00 1.00 C ATOM 234 NE ARG A 16 1.937 -2.352 11.444 1.00 1.00 N ATOM 235 CZ ARG A 16 2.522 -3.152 12.302 1.00 1.00 C ATOM 236 NH1 ARG A 16 3.172 -2.738 13.328 1.00 1.00 N ATOM 237 NH2 ARG A 16 2.523 -4.420 12.119 1.00 1.00 N ATOM 0 H ARG A 16 5.857 0.638 9.917 1.00 1.00 H new ATOM 0 HA ARG A 16 5.682 -2.079 10.495 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.872 -0.211 8.881 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.388 -1.826 9.357 1.00 1.00 H new ATOM 0 HG2 ARG A 16 4.152 -0.730 11.789 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.501 0.668 10.957 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.740 -0.429 12.287 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.351 -0.519 10.581 1.00 1.00 H new ATOM 0 HE ARG A 16 1.331 -2.802 10.758 1.00 1.00 H new ATOM 0 HH11 ARG A 16 3.254 -1.738 13.510 1.00 1.00 H new ATOM 0 HH12 ARG A 16 3.607 -3.409 13.961 1.00 1.00 H new ATOM 0 HH21 ARG A 16 2.065 -4.817 11.299 1.00 1.00 H new ATOM 0 HH22 ARG A 16 2.982 -5.032 12.794 1.00 1.00 H new ATOM 251 N ALA A 17 6.050 -1.573 7.239 1.00 1.00 N ATOM 252 CA ALA A 17 6.455 -2.210 5.976 1.00 1.00 C ATOM 253 C ALA A 17 7.788 -3.002 6.095 1.00 1.00 C ATOM 254 O ALA A 17 7.866 -4.142 5.630 1.00 1.00 O ATOM 255 CB ALA A 17 6.470 -1.134 4.874 1.00 1.00 C ATOM 0 H ALA A 17 5.980 -0.558 7.167 1.00 1.00 H new ATOM 0 HA ALA A 17 5.727 -2.975 5.706 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.768 -1.586 3.928 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.474 -0.703 4.772 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.179 -0.350 5.141 1.00 1.00 H new ATOM 261 N LYS A 18 8.820 -2.424 6.744 1.00 1.00 N ATOM 262 CA LYS A 18 10.098 -3.088 7.102 1.00 1.00 C ATOM 263 C LYS A 18 9.919 -4.237 8.101 1.00 1.00 C ATOM 264 O LYS A 18 10.379 -5.352 7.871 1.00 1.00 O ATOM 265 CB LYS A 18 11.116 -2.070 7.658 1.00 1.00 C ATOM 266 CG LYS A 18 12.555 -2.647 7.699 1.00 1.00 C ATOM 267 CD LYS A 18 13.137 -2.777 9.121 1.00 1.00 C ATOM 268 CE LYS A 18 12.693 -4.031 9.903 1.00 1.00 C ATOM 269 NZ LYS A 18 12.586 -3.780 11.362 1.00 1.00 N ATOM 0 H LYS A 18 8.789 -1.450 7.045 1.00 1.00 H new ATOM 0 HA LYS A 18 10.480 -3.518 6.176 1.00 1.00 H new ATOM 0 HB2 LYS A 18 11.104 -1.172 7.041 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.817 -1.771 8.663 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.556 -3.629 7.226 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.209 -2.007 7.107 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.225 -2.778 9.052 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.855 -1.893 9.693 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.729 -4.370 9.524 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.406 -4.837 9.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.126 -4.592 11.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.537 -3.649 11.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.020 -2.923 11.526 1.00 1.00 H new ATOM 283 N ASP A 19 9.322 -3.928 9.249 1.00 1.00 N ATOM 284 CA ASP A 19 8.963 -4.827 10.350 1.00 1.00 C ATOM 285 C ASP A 19 8.232 -6.109 9.894 1.00 1.00 C ATOM 286 O ASP A 19 8.474 -7.180 10.447 1.00 1.00 O ATOM 287 CB ASP A 19 8.215 -4.015 11.420 1.00 1.00 C ATOM 288 CG ASP A 19 9.229 -3.382 12.405 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.126 -2.602 11.984 1.00 1.00 O ATOM 290 OD2 ASP A 19 9.236 -3.764 13.594 1.00 1.00 O ATOM 0 H ASP A 19 9.054 -2.965 9.453 1.00 1.00 H new ATOM 0 HA ASP A 19 9.875 -5.224 10.797 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.619 -3.235 10.946 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.523 -4.660 11.961 1.00 1.00 H new ATOM 295 N LEU A 20 7.362 -6.010 8.887 1.00 1.00 N ATOM 296 CA LEU A 20 6.710 -7.137 8.201 1.00 1.00 C ATOM 297 C LEU A 20 7.714 -8.109 7.537 1.00 1.00 C ATOM 298 O LEU A 20 7.661 -9.311 7.795 1.00 1.00 O ATOM 299 CB LEU A 20 5.701 -6.582 7.164 1.00 1.00 C ATOM 300 CG LEU A 20 4.231 -6.553 7.622 1.00 1.00 C ATOM 301 CD1 LEU A 20 4.027 -5.992 9.038 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.428 -5.753 6.579 1.00 1.00 C ATOM 0 H LEU A 20 7.078 -5.106 8.508 1.00 1.00 H new ATOM 0 HA LEU A 20 6.186 -7.727 8.953 1.00 1.00 H new ATOM 0 HB2 LEU A 20 6.001 -5.569 6.897 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.770 -7.184 6.258 1.00 1.00 H new ATOM 0 HG LEU A 20 3.874 -7.581 7.685 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.965 -6.005 9.285 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.574 -6.605 9.754 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.396 -4.967 9.080 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.380 -5.715 6.877 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.824 -4.739 6.514 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.511 -6.237 5.606 1.00 1.00 H new ATOM 314 N ALA A 21 8.631 -7.598 6.701 1.00 1.00 N ATOM 315 CA ALA A 21 9.755 -8.350 6.117 1.00 1.00 C ATOM 316 C ALA A 21 10.663 -8.992 7.202 1.00 1.00 C ATOM 317 O ALA A 21 11.047 -10.153 7.088 1.00 1.00 O ATOM 318 CB ALA A 21 10.503 -7.427 5.142 1.00 1.00 C ATOM 0 H ALA A 21 8.611 -6.623 6.404 1.00 1.00 H new ATOM 0 HA ALA A 21 9.378 -9.204 5.554 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.340 -7.967 4.699 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.823 -7.102 4.354 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.877 -6.556 5.680 1.00 1.00 H new ATOM 324 N GLU A 22 10.992 -8.261 8.274 1.00 1.00 N ATOM 325 CA GLU A 22 11.695 -8.781 9.469 1.00 1.00 C ATOM 326 C GLU A 22 10.923 -9.934 10.161 1.00 1.00 C ATOM 327 O GLU A 22 11.505 -10.995 10.387 1.00 1.00 O ATOM 328 CB GLU A 22 11.979 -7.612 10.422 1.00 1.00 C ATOM 329 CG GLU A 22 12.672 -7.995 11.740 1.00 1.00 C ATOM 330 CD GLU A 22 13.005 -6.710 12.499 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.065 -6.011 12.950 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.176 -6.263 12.449 1.00 1.00 O ATOM 0 H GLU A 22 10.775 -7.267 8.343 1.00 1.00 H new ATOM 0 HA GLU A 22 12.641 -9.224 9.157 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.600 -6.883 9.902 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.036 -7.118 10.656 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.022 -8.632 12.339 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.580 -8.564 11.540 1.00 1.00 H new ATOM 339 N LYS A 23 9.614 -9.772 10.430 1.00 1.00 N ATOM 340 CA LYS A 23 8.682 -10.810 10.939 1.00 1.00 C ATOM 341 C LYS A 23 8.667 -12.071 10.057 1.00 1.00 C ATOM 342 O LYS A 23 8.800 -13.171 10.586 1.00 1.00 O ATOM 343 CB LYS A 23 7.279 -10.202 11.160 1.00 1.00 C ATOM 344 CG LYS A 23 6.312 -11.088 11.981 1.00 1.00 C ATOM 345 CD LYS A 23 5.122 -11.670 11.197 1.00 1.00 C ATOM 346 CE LYS A 23 4.125 -10.591 10.730 1.00 1.00 C ATOM 347 NZ LYS A 23 2.846 -11.204 10.298 1.00 1.00 N ATOM 0 H LYS A 23 9.150 -8.874 10.294 1.00 1.00 H new ATOM 0 HA LYS A 23 9.046 -11.152 11.908 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.389 -9.243 11.666 1.00 1.00 H new ATOM 0 HB3 LYS A 23 6.828 -10.000 10.188 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.879 -11.913 12.412 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.924 -10.499 12.812 1.00 1.00 H new ATOM 0 HD2 LYS A 23 5.496 -12.212 10.328 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.600 -12.393 11.823 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.940 -9.886 11.541 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.557 -10.023 9.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.191 -10.458 9.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 3.024 -11.858 9.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.425 -11.726 11.093 1.00 1.00 H new ATOM 361 N LEU A 24 8.569 -11.912 8.729 1.00 1.00 N ATOM 362 CA LEU A 24 8.712 -12.965 7.700 1.00 1.00 C ATOM 363 C LEU A 24 10.099 -13.660 7.750 1.00 1.00 C ATOM 364 O LEU A 24 10.161 -14.887 7.686 1.00 1.00 O ATOM 365 CB LEU A 24 8.433 -12.357 6.303 1.00 1.00 C ATOM 366 CG LEU A 24 6.938 -12.292 5.912 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.702 -11.293 4.775 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.436 -13.658 5.431 1.00 1.00 C ATOM 0 H LEU A 24 8.378 -10.999 8.317 1.00 1.00 H new ATOM 0 HA LEU A 24 7.979 -13.745 7.907 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.847 -11.349 6.272 1.00 1.00 H new ATOM 0 HB3 LEU A 24 8.965 -12.943 5.554 1.00 1.00 H new ATOM 0 HG LEU A 24 6.398 -11.979 6.806 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.642 -11.271 4.524 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.021 -10.300 5.091 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.276 -11.596 3.899 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.382 -13.584 5.162 1.00 1.00 H new ATOM 0 HD22 LEU A 24 7.012 -13.971 4.560 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.557 -14.391 6.228 1.00 1.00 H new ATOM 380 N SER A 25 11.196 -12.898 7.894 1.00 1.00 N ATOM 381 CA SER A 25 12.576 -13.392 8.122 1.00 1.00 C ATOM 382 C SER A 25 12.729 -14.215 9.411 1.00 1.00 C ATOM 383 O SER A 25 13.368 -15.263 9.392 1.00 1.00 O ATOM 384 CB SER A 25 13.594 -12.243 8.097 1.00 1.00 C ATOM 385 OG SER A 25 14.911 -12.755 7.969 1.00 1.00 O ATOM 0 H SER A 25 11.150 -11.880 7.854 1.00 1.00 H new ATOM 0 HA SER A 25 12.784 -14.069 7.293 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.375 -11.572 7.266 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.512 -11.656 9.011 1.00 1.00 H new ATOM 0 HG SER A 25 14.959 -13.343 7.187 1.00 1.00 H new ATOM 391 N ASN A 26 12.146 -13.761 10.526 1.00 1.00 N ATOM 392 CA ASN A 26 12.031 -14.485 11.800 1.00 1.00 C ATOM 393 C ASN A 26 11.187 -15.786 11.652 1.00 1.00 C ATOM 394 O ASN A 26 11.566 -16.850 12.148 1.00 1.00 O ATOM 395 CB ASN A 26 11.453 -13.493 12.841 1.00 1.00 C ATOM 396 CG ASN A 26 10.985 -14.197 14.099 1.00 1.00 C ATOM 397 OD1 ASN A 26 11.754 -14.506 14.994 1.00 1.00 O ATOM 398 ND2 ASN A 26 9.740 -14.596 14.152 1.00 1.00 N ATOM 0 H ASN A 26 11.721 -12.835 10.568 1.00 1.00 H new ATOM 0 HA ASN A 26 13.007 -14.832 12.138 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.213 -12.756 13.100 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.619 -12.949 12.399 1.00 1.00 H new ATOM 0 HD21 ASN A 26 9.419 -15.161 14.938 1.00 1.00 H new ATOM 0 HD22 ASN A 26 9.091 -14.342 13.407 1.00 1.00 H new ATOM 405 N GLU A 27 10.026 -15.692 10.994 1.00 1.00 N ATOM 406 CA GLU A 27 9.034 -16.759 10.789 1.00 1.00 C ATOM 407 C GLU A 27 9.622 -17.911 9.930 1.00 1.00 C ATOM 408 O GLU A 27 9.676 -19.051 10.404 1.00 1.00 O ATOM 409 CB GLU A 27 7.745 -16.126 10.209 1.00 1.00 C ATOM 410 CG GLU A 27 6.691 -17.089 9.642 1.00 1.00 C ATOM 411 CD GLU A 27 5.492 -16.312 9.072 1.00 1.00 C ATOM 412 OE1 GLU A 27 4.658 -15.807 9.866 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.381 -16.177 7.833 1.00 1.00 O ATOM 0 H GLU A 27 9.734 -14.815 10.563 1.00 1.00 H new ATOM 0 HA GLU A 27 8.769 -17.230 11.736 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.275 -15.533 10.994 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.033 -15.435 9.417 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.137 -17.704 8.860 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.352 -17.767 10.426 1.00 1.00 H new ATOM 420 N ARG A 28 10.153 -17.601 8.732 1.00 1.00 N ATOM 421 CA ARG A 28 10.627 -18.522 7.664 1.00 1.00 C ATOM 422 C ARG A 28 12.155 -18.728 7.594 1.00 1.00 C ATOM 423 O ARG A 28 12.958 -17.900 8.024 1.00 1.00 O ATOM 424 CB ARG A 28 10.178 -17.960 6.288 1.00 1.00 C ATOM 425 CG ARG A 28 8.693 -17.552 6.143 1.00 1.00 C ATOM 426 CD ARG A 28 8.438 -16.462 5.087 1.00 1.00 C ATOM 427 NE ARG A 28 8.759 -16.872 3.702 1.00 1.00 N ATOM 428 CZ ARG A 28 8.070 -17.665 2.912 1.00 1.00 C ATOM 429 NH1 ARG A 28 6.931 -18.165 3.246 1.00 1.00 N ATOM 430 NH2 ARG A 28 8.503 -17.960 1.734 1.00 1.00 N ATOM 0 H ARG A 28 10.274 -16.626 8.458 1.00 1.00 H new ATOM 0 HA ARG A 28 10.190 -19.490 7.908 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.792 -17.088 6.062 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.398 -18.710 5.528 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.109 -18.435 5.885 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.329 -17.199 7.108 1.00 1.00 H new ATOM 0 HD2 ARG A 28 7.390 -16.166 5.133 1.00 1.00 H new ATOM 0 HD3 ARG A 28 9.029 -15.582 5.340 1.00 1.00 H new ATOM 0 HE ARG A 28 9.622 -16.492 3.312 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.527 -17.950 4.158 1.00 1.00 H new ATOM 0 HH12 ARG A 28 6.433 -18.776 2.599 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.389 -17.577 1.406 1.00 1.00 H new ATOM 0 HH22 ARG A 28 7.959 -18.577 1.130 1.00 1.00 H new ATOM 444 N ASP A 29 12.566 -19.792 6.907 1.00 1.00 N ATOM 445 CA ASP A 29 13.968 -20.117 6.542 1.00 1.00 C ATOM 446 C ASP A 29 14.365 -19.469 5.177 1.00 1.00 C ATOM 447 O ASP A 29 15.411 -18.833 5.036 1.00 1.00 O ATOM 448 CB ASP A 29 14.192 -21.647 6.602 1.00 1.00 C ATOM 449 CG ASP A 29 13.860 -22.389 5.304 1.00 1.00 C ATOM 450 OD1 ASP A 29 12.674 -22.691 5.046 1.00 1.00 O ATOM 451 OD2 ASP A 29 14.789 -22.607 4.494 1.00 1.00 O ATOM 0 H ASP A 29 11.908 -20.493 6.567 1.00 1.00 H new ATOM 0 HA ASP A 29 14.645 -19.676 7.274 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.234 -21.839 6.859 1.00 1.00 H new ATOM 0 HB3 ASP A 29 13.584 -22.059 7.407 1.00 1.00 H new ATOM 456 N ASP A 30 13.436 -19.512 4.214 1.00 1.00 N ATOM 457 CA ASP A 30 13.411 -18.877 2.886 1.00 1.00 C ATOM 458 C ASP A 30 13.644 -17.372 2.787 1.00 1.00 C ATOM 459 O ASP A 30 14.179 -16.878 1.793 1.00 1.00 O ATOM 460 CB ASP A 30 11.986 -19.088 2.326 1.00 1.00 C ATOM 461 CG ASP A 30 11.906 -18.982 0.800 1.00 1.00 C ATOM 462 OD1 ASP A 30 12.747 -19.549 0.067 1.00 1.00 O ATOM 463 OD2 ASP A 30 11.112 -18.114 0.362 1.00 1.00 O ATOM 0 H ASP A 30 12.585 -20.055 4.362 1.00 1.00 H new ATOM 0 HA ASP A 30 14.245 -19.341 2.360 1.00 1.00 H new ATOM 0 HB2 ASP A 30 11.625 -20.070 2.633 1.00 1.00 H new ATOM 0 HB3 ASP A 30 11.317 -18.350 2.769 1.00 1.00 H new ATOM 468 N PHE A 31 13.295 -16.668 3.854 1.00 1.00 N ATOM 469 CA PHE A 31 13.247 -15.202 3.889 1.00 1.00 C ATOM 470 C PHE A 31 14.437 -14.406 4.485 1.00 1.00 C ATOM 471 O PHE A 31 14.645 -14.329 5.698 1.00 1.00 O ATOM 472 CB PHE A 31 11.897 -14.827 4.523 1.00 1.00 C ATOM 473 CG PHE A 31 11.409 -13.444 4.148 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.073 -12.297 4.635 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.293 -13.298 3.292 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.609 -11.015 4.298 1.00 1.00 C ATOM 477 CE2 PHE A 31 9.813 -12.015 2.979 1.00 1.00 C ATOM 478 CZ PHE A 31 10.456 -10.875 3.507 1.00 1.00 C ATOM 0 H PHE A 31 13.031 -17.101 4.739 1.00 1.00 H new ATOM 0 HA PHE A 31 13.351 -14.878 2.854 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.149 -15.560 4.222 1.00 1.00 H new ATOM 0 HB3 PHE A 31 11.986 -14.889 5.608 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.941 -12.406 5.269 1.00 1.00 H new ATOM 0 HD2 PHE A 31 9.810 -14.171 2.879 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.137 -10.139 4.646 1.00 1.00 H new ATOM 0 HE2 PHE A 31 8.953 -11.901 2.335 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.060 -9.891 3.302 1.00 1.00 H new ATOM 488 N GLN A 32 15.153 -13.712 3.590 1.00 1.00 N ATOM 489 CA GLN A 32 16.224 -12.727 3.833 1.00 1.00 C ATOM 490 C GLN A 32 15.701 -11.281 3.623 1.00 1.00 C ATOM 491 O GLN A 32 15.064 -10.979 2.612 1.00 1.00 O ATOM 492 CB GLN A 32 17.455 -13.009 2.931 1.00 1.00 C ATOM 493 CG GLN A 32 18.640 -13.637 3.690 1.00 1.00 C ATOM 494 CD GLN A 32 19.208 -12.758 4.808 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.291 -13.139 5.962 1.00 1.00 O ATOM 496 NE2 GLN A 32 19.595 -11.533 4.560 1.00 1.00 N ATOM 0 H GLN A 32 14.986 -13.833 2.591 1.00 1.00 H new ATOM 0 HA GLN A 32 16.542 -12.824 4.871 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.158 -13.676 2.121 1.00 1.00 H new ATOM 0 HB3 GLN A 32 17.781 -12.076 2.472 1.00 1.00 H new ATOM 0 HG2 GLN A 32 18.320 -14.587 4.118 1.00 1.00 H new ATOM 0 HG3 GLN A 32 19.435 -13.859 2.979 1.00 1.00 H new ATOM 0 HE21 GLN A 32 19.546 -11.165 3.610 1.00 1.00 H new ATOM 0 HE22 GLN A 32 19.946 -10.946 5.317 1.00 1.00 H new ATOM 505 N TYR A 33 15.970 -10.377 4.568 1.00 1.00 N ATOM 506 CA TYR A 33 15.494 -8.980 4.625 1.00 1.00 C ATOM 507 C TYR A 33 16.644 -7.943 4.605 1.00 1.00 C ATOM 508 O TYR A 33 17.661 -8.118 5.284 1.00 1.00 O ATOM 509 CB TYR A 33 14.458 -8.782 5.763 1.00 1.00 C ATOM 510 CG TYR A 33 14.873 -7.953 6.974 1.00 1.00 C ATOM 511 CD1 TYR A 33 14.912 -6.542 6.869 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.172 -8.570 8.212 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.233 -5.749 7.993 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.471 -7.778 9.347 1.00 1.00 C ATOM 515 CZ TYR A 33 15.493 -6.366 9.239 1.00 1.00 C ATOM 516 OH TYR A 33 15.748 -5.581 10.318 1.00 1.00 O ATOM 0 H TYR A 33 16.562 -10.608 5.366 1.00 1.00 H new ATOM 0 HA TYR A 33 14.955 -8.778 3.699 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.571 -8.319 5.330 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.161 -9.768 6.120 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.695 -6.068 5.923 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.172 -9.647 8.291 1.00 1.00 H new ATOM 0 HE1 TYR A 33 15.280 -4.674 7.901 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.682 -8.251 10.295 1.00 1.00 H new ATOM 0 HH TYR A 33 15.116 -5.795 11.035 1.00 1.00 H new ATOM 526 N GLN A 34 16.509 -6.861 3.824 1.00 1.00 N ATOM 527 CA GLN A 34 17.525 -5.815 3.616 1.00 1.00 C ATOM 528 C GLN A 34 16.950 -4.398 3.818 1.00 1.00 C ATOM 529 O GLN A 34 15.908 -4.029 3.284 1.00 1.00 O ATOM 530 CB GLN A 34 18.065 -5.910 2.177 1.00 1.00 C ATOM 531 CG GLN A 34 19.404 -5.179 1.998 1.00 1.00 C ATOM 532 CD GLN A 34 19.852 -5.180 0.544 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.014 -6.223 -0.074 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.038 -4.029 -0.049 1.00 1.00 N ATOM 0 H GLN A 34 15.654 -6.682 3.298 1.00 1.00 H new ATOM 0 HA GLN A 34 18.314 -5.978 4.350 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.189 -6.959 1.908 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.331 -5.490 1.489 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.308 -4.152 2.349 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.165 -5.657 2.614 1.00 1.00 H new ATOM 0 HE21 GLN A 34 19.902 -3.161 0.469 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.319 -4.000 -1.029 1.00 1.00 H new ATOM 543 N TYR A 35 17.688 -3.573 4.551 1.00 1.00 N ATOM 544 CA TYR A 35 17.386 -2.189 4.935 1.00 1.00 C ATOM 545 C TYR A 35 18.280 -1.197 4.140 1.00 1.00 C ATOM 546 O TYR A 35 19.507 -1.315 4.160 1.00 1.00 O ATOM 547 CB TYR A 35 17.532 -2.095 6.474 1.00 1.00 C ATOM 548 CG TYR A 35 17.723 -0.694 7.035 1.00 1.00 C ATOM 549 CD1 TYR A 35 18.990 -0.079 6.911 1.00 1.00 C ATOM 550 CD2 TYR A 35 16.667 -0.001 7.674 1.00 1.00 C ATOM 551 CE1 TYR A 35 19.186 1.250 7.328 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.877 1.323 8.133 1.00 1.00 C ATOM 553 CZ TYR A 35 18.124 1.959 7.927 1.00 1.00 C ATOM 554 OH TYR A 35 18.292 3.256 8.275 1.00 1.00 O ATOM 0 H TYR A 35 18.588 -3.874 4.925 1.00 1.00 H new ATOM 0 HA TYR A 35 16.366 -1.905 4.678 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.644 -2.532 6.932 1.00 1.00 H new ATOM 0 HB3 TYR A 35 18.381 -2.707 6.778 1.00 1.00 H new ATOM 0 HD1 TYR A 35 19.816 -0.635 6.492 1.00 1.00 H new ATOM 0 HD2 TYR A 35 15.708 -0.478 7.811 1.00 1.00 H new ATOM 0 HE1 TYR A 35 20.146 1.726 7.190 1.00 1.00 H new ATOM 0 HE2 TYR A 35 16.082 1.849 8.642 1.00 1.00 H new ATOM 0 HH TYR A 35 19.215 3.527 8.090 1.00 1.00 H new ATOM 564 N VAL A 36 17.665 -0.249 3.417 1.00 1.00 N ATOM 565 CA VAL A 36 18.311 0.827 2.613 1.00 1.00 C ATOM 566 C VAL A 36 17.721 2.200 2.983 1.00 1.00 C ATOM 567 O VAL A 36 16.515 2.393 2.862 1.00 1.00 O ATOM 568 CB VAL A 36 18.171 0.565 1.089 1.00 1.00 C ATOM 569 CG1 VAL A 36 18.889 1.666 0.288 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.729 -0.815 0.682 1.00 1.00 C ATOM 0 H VAL A 36 16.647 -0.200 3.368 1.00 1.00 H new ATOM 0 HA VAL A 36 19.375 0.826 2.850 1.00 1.00 H new ATOM 0 HB VAL A 36 17.105 0.577 0.860 1.00 1.00 H new ATOM 0 HG11 VAL A 36 18.782 1.468 -0.779 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.447 2.634 0.524 1.00 1.00 H new ATOM 0 HG13 VAL A 36 19.947 1.676 0.551 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.609 -0.953 -0.393 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.787 -0.870 0.939 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.186 -1.598 1.211 1.00 1.00 H new ATOM 580 N ASP A 37 18.503 3.157 3.491 1.00 1.00 N ATOM 581 CA ASP A 37 18.029 4.454 4.036 1.00 1.00 C ATOM 582 C ASP A 37 17.890 5.586 2.984 1.00 1.00 C ATOM 583 O ASP A 37 18.810 6.367 2.762 1.00 1.00 O ATOM 584 CB ASP A 37 18.872 4.948 5.250 1.00 1.00 C ATOM 585 CG ASP A 37 20.128 4.168 5.675 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.888 3.656 4.820 1.00 1.00 O ATOM 587 OD2 ASP A 37 20.362 4.101 6.904 1.00 1.00 O ATOM 0 H ASP A 37 19.517 3.057 3.541 1.00 1.00 H new ATOM 0 HA ASP A 37 17.021 4.228 4.384 1.00 1.00 H new ATOM 0 HB2 ASP A 37 19.181 5.971 5.037 1.00 1.00 H new ATOM 0 HB3 ASP A 37 18.207 4.989 6.113 1.00 1.00 H new ATOM 592 N ILE A 38 16.714 5.762 2.377 1.00 1.00 N ATOM 593 CA ILE A 38 16.496 6.790 1.322 1.00 1.00 C ATOM 594 C ILE A 38 16.364 8.214 1.897 1.00 1.00 C ATOM 595 O ILE A 38 16.966 9.146 1.361 1.00 1.00 O ATOM 596 CB ILE A 38 15.367 6.394 0.329 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.936 6.437 0.916 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.694 5.003 -0.250 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.190 7.759 0.706 1.00 1.00 C ATOM 0 H ILE A 38 15.885 5.208 2.591 1.00 1.00 H new ATOM 0 HA ILE A 38 17.403 6.819 0.718 1.00 1.00 H new ATOM 0 HB ILE A 38 15.351 7.151 -0.455 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.352 5.632 0.469 1.00 1.00 H new ATOM 0 HG13 ILE A 38 13.992 6.234 1.986 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.912 4.707 -0.950 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.651 5.041 -0.770 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.750 4.276 0.560 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.198 7.692 1.152 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.746 8.569 1.178 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.096 7.958 -0.362 1.00 1.00 H new ATOM 611 N ARG A 39 15.685 8.381 3.050 1.00 1.00 N ATOM 612 CA ARG A 39 15.568 9.664 3.788 1.00 1.00 C ATOM 613 C ARG A 39 16.853 10.053 4.545 1.00 1.00 C ATOM 614 O ARG A 39 16.997 11.225 4.880 1.00 1.00 O ATOM 615 CB ARG A 39 14.311 9.672 4.697 1.00 1.00 C ATOM 616 CG ARG A 39 13.817 11.096 5.036 1.00 1.00 C ATOM 617 CD ARG A 39 12.490 11.117 5.813 1.00 1.00 C ATOM 618 NE ARG A 39 11.791 12.417 5.677 1.00 1.00 N ATOM 619 CZ ARG A 39 10.990 13.034 6.515 1.00 1.00 C ATOM 620 NH1 ARG A 39 10.803 12.722 7.744 1.00 1.00 N ATOM 621 NH2 ARG A 39 10.323 14.059 6.138 1.00 1.00 N ATOM 0 H ARG A 39 15.191 7.615 3.507 1.00 1.00 H new ATOM 0 HA ARG A 39 15.436 10.446 3.040 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.509 9.124 4.203 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.536 9.142 5.623 1.00 1.00 H new ATOM 0 HG2 ARG A 39 14.580 11.607 5.623 1.00 1.00 H new ATOM 0 HG3 ARG A 39 13.696 11.660 4.111 1.00 1.00 H new ATOM 0 HD2 ARG A 39 11.844 10.318 5.450 1.00 1.00 H new ATOM 0 HD3 ARG A 39 12.683 10.917 6.867 1.00 1.00 H new ATOM 0 HE ARG A 39 11.958 12.907 4.798 1.00 1.00 H new ATOM 0 HH11 ARG A 39 11.301 11.930 8.150 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.157 13.266 8.316 1.00 1.00 H new ATOM 0 HH21 ARG A 39 10.412 14.402 5.181 1.00 1.00 H new ATOM 0 HH22 ARG A 39 9.703 14.533 6.794 1.00 1.00 H new ATOM 635 N ALA A 40 17.797 9.123 4.764 1.00 1.00 N ATOM 636 CA ALA A 40 19.130 9.420 5.324 1.00 1.00 C ATOM 637 C ALA A 40 20.217 9.604 4.227 1.00 1.00 C ATOM 638 O ALA A 40 20.881 10.641 4.211 1.00 1.00 O ATOM 639 CB ALA A 40 19.509 8.400 6.414 1.00 1.00 C ATOM 0 H ALA A 40 17.657 8.134 4.556 1.00 1.00 H new ATOM 0 HA ALA A 40 19.075 10.391 5.815 1.00 1.00 H new ATOM 0 HB1 ALA A 40 20.495 8.641 6.811 1.00 1.00 H new ATOM 0 HB2 ALA A 40 18.775 8.438 7.219 1.00 1.00 H new ATOM 0 HB3 ALA A 40 19.525 7.398 5.985 1.00 1.00 H new ATOM 645 N GLU A 41 20.369 8.658 3.287 1.00 1.00 N ATOM 646 CA GLU A 41 21.337 8.677 2.152 1.00 1.00 C ATOM 647 C GLU A 41 21.054 9.720 1.025 1.00 1.00 C ATOM 648 O GLU A 41 21.888 9.920 0.137 1.00 1.00 O ATOM 649 CB GLU A 41 21.426 7.258 1.536 1.00 1.00 C ATOM 650 CG GLU A 41 22.792 6.919 0.915 1.00 1.00 C ATOM 651 CD GLU A 41 22.706 5.663 0.033 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.314 4.583 0.537 1.00 1.00 O ATOM 653 OE2 GLU A 41 23.005 5.778 -1.180 1.00 1.00 O ATOM 0 H GLU A 41 19.798 7.813 3.288 1.00 1.00 H new ATOM 0 HA GLU A 41 22.283 8.996 2.591 1.00 1.00 H new ATOM 0 HB2 GLU A 41 21.200 6.524 2.310 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.657 7.159 0.769 1.00 1.00 H new ATOM 0 HG2 GLU A 41 23.143 7.762 0.319 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.525 6.761 1.706 1.00 1.00 H new ATOM 660 N GLY A 42 19.889 10.389 1.035 1.00 1.00 N ATOM 661 CA GLY A 42 19.517 11.515 0.145 1.00 1.00 C ATOM 662 C GLY A 42 18.796 11.148 -1.168 1.00 1.00 C ATOM 663 O GLY A 42 19.034 11.780 -2.200 1.00 1.00 O ATOM 0 H GLY A 42 19.144 10.154 1.691 1.00 1.00 H new ATOM 0 HA2 GLY A 42 18.877 12.196 0.706 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.424 12.065 -0.106 1.00 1.00 H new ATOM 667 N ILE A 43 17.918 10.139 -1.139 1.00 1.00 N ATOM 668 CA ILE A 43 17.165 9.532 -2.264 1.00 1.00 C ATOM 669 C ILE A 43 15.652 9.730 -2.053 1.00 1.00 C ATOM 670 O ILE A 43 15.125 9.750 -0.939 1.00 1.00 O ATOM 671 CB ILE A 43 17.539 8.024 -2.403 1.00 1.00 C ATOM 672 CG1 ILE A 43 19.064 7.719 -2.481 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.823 7.365 -3.605 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.403 6.309 -1.963 1.00 1.00 C ATOM 0 H ILE A 43 17.690 9.681 -0.257 1.00 1.00 H new ATOM 0 HA ILE A 43 17.437 10.028 -3.196 1.00 1.00 H new ATOM 0 HB ILE A 43 17.189 7.587 -1.468 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.400 7.815 -3.514 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.611 8.460 -1.898 1.00 1.00 H new ATOM 0 HG21 ILE A 43 17.109 6.315 -3.668 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.744 7.439 -3.471 1.00 1.00 H new ATOM 0 HG23 ILE A 43 17.111 7.875 -4.524 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.478 6.143 -2.037 1.00 1.00 H new ATOM 0 HD12 ILE A 43 19.093 6.220 -0.922 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.878 5.565 -2.563 1.00 1.00 H new ATOM 686 N THR A 44 14.933 9.838 -3.169 1.00 1.00 N ATOM 687 CA THR A 44 13.509 10.211 -3.251 1.00 1.00 C ATOM 688 C THR A 44 12.644 9.302 -4.139 1.00 1.00 C ATOM 689 O THR A 44 13.146 8.498 -4.926 1.00 1.00 O ATOM 690 CB THR A 44 13.448 11.678 -3.743 1.00 1.00 C ATOM 691 OG1 THR A 44 12.121 12.142 -3.731 1.00 1.00 O ATOM 692 CG2 THR A 44 14.151 11.901 -5.086 1.00 1.00 C ATOM 0 H THR A 44 15.340 9.661 -4.087 1.00 1.00 H new ATOM 0 HA THR A 44 13.078 10.089 -2.257 1.00 1.00 H new ATOM 0 HB THR A 44 14.019 12.282 -3.038 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.757 12.116 -4.641 1.00 1.00 H new ATOM 0 HG21 THR A 44 14.069 12.950 -5.370 1.00 1.00 H new ATOM 0 HG22 THR A 44 15.203 11.631 -4.995 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.682 11.281 -5.850 1.00 1.00 H new ATOM 700 N LYS A 45 11.318 9.482 -4.045 1.00 1.00 N ATOM 701 CA LYS A 45 10.247 8.893 -4.881 1.00 1.00 C ATOM 702 C LYS A 45 10.591 8.939 -6.378 1.00 1.00 C ATOM 703 O LYS A 45 10.411 7.947 -7.080 1.00 1.00 O ATOM 704 CB LYS A 45 8.932 9.653 -4.543 1.00 1.00 C ATOM 705 CG LYS A 45 7.711 9.520 -5.487 1.00 1.00 C ATOM 706 CD LYS A 45 7.903 10.167 -6.881 1.00 1.00 C ATOM 707 CE LYS A 45 6.709 10.939 -7.434 1.00 1.00 C ATOM 708 NZ LYS A 45 6.574 12.248 -6.755 1.00 1.00 N ATOM 0 H LYS A 45 10.930 10.092 -3.326 1.00 1.00 H new ATOM 0 HA LYS A 45 10.129 7.833 -4.658 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.615 9.332 -3.551 1.00 1.00 H new ATOM 0 HB3 LYS A 45 9.176 10.713 -4.472 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.484 8.462 -5.620 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.845 9.974 -5.006 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.755 10.844 -6.830 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.162 9.381 -7.591 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.832 11.091 -8.506 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.798 10.357 -7.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.606 12.606 -6.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.773 12.135 -5.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.249 12.924 -7.167 1.00 1.00 H new ATOM 722 N GLU A 46 11.095 10.088 -6.851 1.00 1.00 N ATOM 723 CA GLU A 46 11.460 10.358 -8.259 1.00 1.00 C ATOM 724 C GLU A 46 12.552 9.387 -8.764 1.00 1.00 C ATOM 725 O GLU A 46 12.500 8.932 -9.905 1.00 1.00 O ATOM 726 CB GLU A 46 11.929 11.823 -8.413 1.00 1.00 C ATOM 727 CG GLU A 46 10.794 12.869 -8.329 1.00 1.00 C ATOM 728 CD GLU A 46 10.234 13.112 -6.911 1.00 1.00 C ATOM 729 OE1 GLU A 46 10.928 12.839 -5.902 1.00 1.00 O ATOM 730 OE2 GLU A 46 9.081 13.605 -6.802 1.00 1.00 O ATOM 0 H GLU A 46 11.268 10.889 -6.244 1.00 1.00 H new ATOM 0 HA GLU A 46 10.572 10.198 -8.871 1.00 1.00 H new ATOM 0 HB2 GLU A 46 12.664 12.040 -7.638 1.00 1.00 H new ATOM 0 HB3 GLU A 46 12.436 11.931 -9.372 1.00 1.00 H new ATOM 0 HG2 GLU A 46 11.163 13.815 -8.725 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.977 12.549 -8.976 1.00 1.00 H new ATOM 737 N ASP A 47 13.499 9.018 -7.892 1.00 1.00 N ATOM 738 CA ASP A 47 14.526 7.992 -8.101 1.00 1.00 C ATOM 739 C ASP A 47 13.944 6.560 -8.005 1.00 1.00 C ATOM 740 O ASP A 47 14.155 5.731 -8.895 1.00 1.00 O ATOM 741 CB ASP A 47 15.652 8.197 -7.063 1.00 1.00 C ATOM 742 CG ASP A 47 16.956 7.565 -7.543 1.00 1.00 C ATOM 743 OD1 ASP A 47 17.478 8.004 -8.596 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.463 6.628 -6.898 1.00 1.00 O ATOM 0 H ASP A 47 13.572 9.452 -6.972 1.00 1.00 H new ATOM 0 HA ASP A 47 14.926 8.098 -9.109 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.802 9.262 -6.889 1.00 1.00 H new ATOM 0 HB3 ASP A 47 15.359 7.756 -6.110 1.00 1.00 H new ATOM 749 N LEU A 48 13.191 6.274 -6.931 1.00 1.00 N ATOM 750 CA LEU A 48 12.579 4.972 -6.623 1.00 1.00 C ATOM 751 C LEU A 48 11.628 4.463 -7.723 1.00 1.00 C ATOM 752 O LEU A 48 11.768 3.312 -8.131 1.00 1.00 O ATOM 753 CB LEU A 48 11.914 5.031 -5.229 1.00 1.00 C ATOM 754 CG LEU A 48 12.954 5.082 -4.080 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.342 5.621 -2.782 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.561 3.693 -3.828 1.00 1.00 C ATOM 0 H LEU A 48 12.983 6.976 -6.221 1.00 1.00 H new ATOM 0 HA LEU A 48 13.374 4.226 -6.596 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.271 5.910 -5.173 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.274 4.159 -5.098 1.00 1.00 H new ATOM 0 HG LEU A 48 13.742 5.766 -4.395 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.103 5.641 -2.002 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.967 6.631 -2.949 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.521 4.975 -2.471 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.287 3.755 -3.018 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.770 2.995 -3.554 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.057 3.343 -4.733 1.00 1.00 H new ATOM 768 N GLN A 49 10.738 5.305 -8.270 1.00 1.00 N ATOM 769 CA GLN A 49 9.867 4.958 -9.417 1.00 1.00 C ATOM 770 C GLN A 49 10.626 4.543 -10.701 1.00 1.00 C ATOM 771 O GLN A 49 10.134 3.727 -11.484 1.00 1.00 O ATOM 772 CB GLN A 49 8.881 6.099 -9.729 1.00 1.00 C ATOM 773 CG GLN A 49 9.429 7.381 -10.373 1.00 1.00 C ATOM 774 CD GLN A 49 8.308 8.328 -10.792 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.307 8.874 -11.884 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.305 8.561 -9.986 1.00 1.00 N ATOM 0 H GLN A 49 10.597 6.256 -7.930 1.00 1.00 H new ATOM 0 HA GLN A 49 9.319 4.073 -9.094 1.00 1.00 H new ATOM 0 HB2 GLN A 49 8.109 5.700 -10.387 1.00 1.00 H new ATOM 0 HB3 GLN A 49 8.391 6.379 -8.796 1.00 1.00 H new ATOM 0 HG2 GLN A 49 10.089 7.888 -9.669 1.00 1.00 H new ATOM 0 HG3 GLN A 49 10.031 7.122 -11.244 1.00 1.00 H new ATOM 0 HE21 GLN A 49 7.276 8.120 -9.067 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.551 9.184 -10.277 1.00 1.00 H new ATOM 785 N GLN A 50 11.824 5.107 -10.918 1.00 1.00 N ATOM 786 CA GLN A 50 12.762 4.772 -12.003 1.00 1.00 C ATOM 787 C GLN A 50 13.519 3.461 -11.705 1.00 1.00 C ATOM 788 O GLN A 50 13.542 2.577 -12.560 1.00 1.00 O ATOM 789 CB GLN A 50 13.701 5.962 -12.285 1.00 1.00 C ATOM 790 CG GLN A 50 12.936 7.207 -12.790 1.00 1.00 C ATOM 791 CD GLN A 50 13.857 8.396 -13.036 1.00 1.00 C ATOM 792 OE1 GLN A 50 14.772 8.343 -13.839 1.00 1.00 O ATOM 793 NE2 GLN A 50 13.720 9.497 -12.349 1.00 1.00 N ATOM 0 H GLN A 50 12.183 5.845 -10.313 1.00 1.00 H new ATOM 0 HA GLN A 50 12.196 4.589 -12.916 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.244 6.217 -11.375 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.443 5.668 -13.028 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.413 6.959 -13.714 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.177 7.485 -12.059 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.967 9.582 -11.667 1.00 1.00 H new ATOM 0 HE22 GLN A 50 14.366 10.273 -12.495 1.00 1.00 H new ATOM 802 N LYS A 51 14.071 3.279 -10.487 1.00 1.00 N ATOM 803 CA LYS A 51 14.673 2.003 -10.006 1.00 1.00 C ATOM 804 C LYS A 51 13.681 0.819 -10.088 1.00 1.00 C ATOM 805 O LYS A 51 14.053 -0.269 -10.514 1.00 1.00 O ATOM 806 CB LYS A 51 15.231 2.148 -8.565 1.00 1.00 C ATOM 807 CG LYS A 51 16.723 2.528 -8.465 1.00 1.00 C ATOM 808 CD LYS A 51 17.079 4.017 -8.599 1.00 1.00 C ATOM 809 CE LYS A 51 16.911 4.598 -10.010 1.00 1.00 C ATOM 810 NZ LYS A 51 17.794 5.768 -10.234 1.00 1.00 N ATOM 0 H LYS A 51 14.115 4.024 -9.792 1.00 1.00 H new ATOM 0 HA LYS A 51 15.504 1.780 -10.676 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.646 2.904 -8.042 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.078 1.206 -8.038 1.00 1.00 H new ATOM 0 HG2 LYS A 51 17.097 2.176 -7.504 1.00 1.00 H new ATOM 0 HG3 LYS A 51 17.264 1.981 -9.237 1.00 1.00 H new ATOM 0 HD2 LYS A 51 16.456 4.588 -7.910 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.113 4.158 -8.285 1.00 1.00 H new ATOM 0 HE2 LYS A 51 17.134 3.828 -10.749 1.00 1.00 H new ATOM 0 HE3 LYS A 51 15.872 4.893 -10.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.819 5.995 -11.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.428 6.585 -9.705 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 18.755 5.545 -9.906 1.00 1.00 H new ATOM 824 N ALA A 52 12.425 1.054 -9.710 1.00 1.00 N ATOM 825 CA ALA A 52 11.270 0.156 -9.799 1.00 1.00 C ATOM 826 C ALA A 52 10.687 -0.075 -11.215 1.00 1.00 C ATOM 827 O ALA A 52 9.999 -1.078 -11.427 1.00 1.00 O ATOM 828 CB ALA A 52 10.179 0.791 -8.912 1.00 1.00 C ATOM 0 H ALA A 52 12.166 1.951 -9.299 1.00 1.00 H new ATOM 0 HA ALA A 52 11.604 -0.833 -9.484 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.285 0.168 -8.933 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.543 0.869 -7.887 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.938 1.785 -9.288 1.00 1.00 H new ATOM 834 N GLY A 53 10.924 0.830 -12.179 1.00 1.00 N ATOM 835 CA GLY A 53 10.271 0.817 -13.504 1.00 1.00 C ATOM 836 C GLY A 53 8.728 0.887 -13.415 1.00 1.00 C ATOM 837 O GLY A 53 8.033 0.368 -14.284 1.00 1.00 O ATOM 0 H GLY A 53 11.581 1.601 -12.061 1.00 1.00 H new ATOM 0 HA2 GLY A 53 10.635 1.660 -14.091 1.00 1.00 H new ATOM 0 HA3 GLY A 53 10.559 -0.090 -14.036 1.00 1.00 H new ATOM 841 N LYS A 54 8.197 1.474 -12.327 1.00 1.00 N ATOM 842 CA LYS A 54 6.794 1.563 -11.861 1.00 1.00 C ATOM 843 C LYS A 54 6.538 2.984 -11.303 1.00 1.00 C ATOM 844 O LYS A 54 7.244 3.370 -10.369 1.00 1.00 O ATOM 845 CB LYS A 54 6.572 0.474 -10.780 1.00 1.00 C ATOM 846 CG LYS A 54 5.136 0.326 -10.228 1.00 1.00 C ATOM 847 CD LYS A 54 4.143 -0.355 -11.194 1.00 1.00 C ATOM 848 CE LYS A 54 2.988 -1.106 -10.510 1.00 1.00 C ATOM 849 NZ LYS A 54 2.142 -0.234 -9.660 1.00 1.00 N ATOM 0 H LYS A 54 8.813 1.956 -11.672 1.00 1.00 H new ATOM 0 HA LYS A 54 6.092 1.392 -12.677 1.00 1.00 H new ATOM 0 HB2 LYS A 54 6.877 -0.486 -11.197 1.00 1.00 H new ATOM 0 HB3 LYS A 54 7.238 0.684 -9.943 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.174 -0.249 -9.302 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.755 1.315 -9.974 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.723 0.403 -11.855 1.00 1.00 H new ATOM 0 HD3 LYS A 54 4.692 -1.057 -11.822 1.00 1.00 H new ATOM 0 HE2 LYS A 54 2.365 -1.572 -11.273 1.00 1.00 H new ATOM 0 HE3 LYS A 54 3.398 -1.910 -9.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 1.384 -0.800 -9.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 2.725 0.192 -8.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 1.723 0.519 -10.243 1.00 1.00 H new ATOM 863 N PRO A 55 5.587 3.783 -11.838 1.00 1.00 N ATOM 864 CA PRO A 55 5.384 5.202 -11.482 1.00 1.00 C ATOM 865 C PRO A 55 4.786 5.413 -10.068 1.00 1.00 C ATOM 866 O PRO A 55 3.600 5.714 -9.897 1.00 1.00 O ATOM 867 CB PRO A 55 4.531 5.777 -12.617 1.00 1.00 C ATOM 868 CG PRO A 55 3.696 4.580 -13.059 1.00 1.00 C ATOM 869 CD PRO A 55 4.640 3.393 -12.874 1.00 1.00 C ATOM 0 HA PRO A 55 6.333 5.731 -11.400 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.905 6.601 -12.274 1.00 1.00 H new ATOM 0 HB3 PRO A 55 5.147 6.162 -13.430 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.796 4.474 -12.454 1.00 1.00 H new ATOM 0 HG3 PRO A 55 3.373 4.677 -14.096 1.00 1.00 H new ATOM 0 HD2 PRO A 55 4.089 2.500 -12.581 1.00 1.00 H new ATOM 0 HD3 PRO A 55 5.156 3.158 -13.805 1.00 1.00 H new ATOM 877 N VAL A 56 5.612 5.238 -9.032 1.00 1.00 N ATOM 878 CA VAL A 56 5.265 5.474 -7.609 1.00 1.00 C ATOM 879 C VAL A 56 5.110 6.967 -7.260 1.00 1.00 C ATOM 880 O VAL A 56 5.799 7.828 -7.803 1.00 1.00 O ATOM 881 CB VAL A 56 6.246 4.806 -6.619 1.00 1.00 C ATOM 882 CG1 VAL A 56 6.445 3.297 -6.893 1.00 1.00 C ATOM 883 CG2 VAL A 56 7.644 5.432 -6.524 1.00 1.00 C ATOM 0 H VAL A 56 6.573 4.918 -9.154 1.00 1.00 H new ATOM 0 HA VAL A 56 4.292 4.996 -7.492 1.00 1.00 H new ATOM 0 HB VAL A 56 5.738 4.976 -5.670 1.00 1.00 H new ATOM 0 HG11 VAL A 56 7.144 2.884 -6.166 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.488 2.783 -6.809 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.844 3.159 -7.898 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.242 4.879 -5.799 1.00 1.00 H new ATOM 0 HG22 VAL A 56 8.128 5.391 -7.500 1.00 1.00 H new ATOM 0 HG23 VAL A 56 7.557 6.471 -6.205 1.00 1.00 H new ATOM 893 N GLU A 57 4.246 7.269 -6.294 1.00 1.00 N ATOM 894 CA GLU A 57 3.923 8.626 -5.785 1.00 1.00 C ATOM 895 C GLU A 57 3.946 8.741 -4.239 1.00 1.00 C ATOM 896 O GLU A 57 4.141 9.824 -3.680 1.00 1.00 O ATOM 897 CB GLU A 57 2.555 9.046 -6.380 1.00 1.00 C ATOM 898 CG GLU A 57 2.247 10.555 -6.378 1.00 1.00 C ATOM 899 CD GLU A 57 3.293 11.397 -7.134 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.631 11.100 -8.309 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.855 12.339 -6.526 1.00 1.00 O ATOM 0 H GLU A 57 3.717 6.544 -5.810 1.00 1.00 H new ATOM 0 HA GLU A 57 4.706 9.311 -6.111 1.00 1.00 H new ATOM 0 HB2 GLU A 57 2.504 8.687 -7.408 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.768 8.535 -5.825 1.00 1.00 H new ATOM 0 HG2 GLU A 57 1.267 10.718 -6.827 1.00 1.00 H new ATOM 0 HG3 GLU A 57 2.187 10.904 -5.347 1.00 1.00 H new ATOM 908 N THR A 58 3.810 7.607 -3.547 1.00 1.00 N ATOM 909 CA THR A 58 3.658 7.376 -2.095 1.00 1.00 C ATOM 910 C THR A 58 4.450 6.155 -1.600 1.00 1.00 C ATOM 911 O THR A 58 5.180 5.490 -2.341 1.00 1.00 O ATOM 912 CB THR A 58 2.167 7.188 -1.698 1.00 1.00 C ATOM 913 OG1 THR A 58 1.579 6.117 -2.415 1.00 1.00 O ATOM 914 CG2 THR A 58 1.368 8.473 -1.899 1.00 1.00 C ATOM 0 H THR A 58 3.802 6.717 -4.046 1.00 1.00 H new ATOM 0 HA THR A 58 4.060 8.270 -1.618 1.00 1.00 H new ATOM 0 HB THR A 58 2.142 6.942 -0.636 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.120 5.518 -1.790 1.00 1.00 H new ATOM 0 HG21 THR A 58 0.330 8.305 -1.612 1.00 1.00 H new ATOM 0 HG22 THR A 58 1.792 9.265 -1.282 1.00 1.00 H new ATOM 0 HG23 THR A 58 1.411 8.768 -2.947 1.00 1.00 H new ATOM 922 N VAL A 59 4.330 5.902 -0.296 1.00 1.00 N ATOM 923 CA VAL A 59 4.817 4.722 0.444 1.00 1.00 C ATOM 924 C VAL A 59 3.709 3.667 0.627 1.00 1.00 C ATOM 925 O VAL A 59 2.544 4.052 0.767 1.00 1.00 O ATOM 926 CB VAL A 59 5.353 5.086 1.850 1.00 1.00 C ATOM 927 CG1 VAL A 59 6.884 5.140 1.812 1.00 1.00 C ATOM 928 CG2 VAL A 59 4.667 6.303 2.495 1.00 1.00 C ATOM 0 H VAL A 59 3.856 6.561 0.322 1.00 1.00 H new ATOM 0 HA VAL A 59 5.628 4.318 -0.162 1.00 1.00 H new ATOM 0 HB VAL A 59 5.074 4.291 2.541 1.00 1.00 H new ATOM 0 HG11 VAL A 59 7.264 5.396 2.801 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.275 4.167 1.514 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.204 5.895 1.094 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.103 6.488 3.477 1.00 1.00 H new ATOM 0 HG22 VAL A 59 4.811 7.179 1.863 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.601 6.105 2.603 1.00 1.00 H new ATOM 938 N PRO A 60 4.053 2.372 0.796 1.00 1.00 N ATOM 939 CA PRO A 60 5.416 1.841 0.989 1.00 1.00 C ATOM 940 C PRO A 60 6.308 1.788 -0.270 1.00 1.00 C ATOM 941 O PRO A 60 5.839 1.951 -1.394 1.00 1.00 O ATOM 942 CB PRO A 60 5.213 0.470 1.630 1.00 1.00 C ATOM 943 CG PRO A 60 3.843 0.018 1.107 1.00 1.00 C ATOM 944 CD PRO A 60 3.072 1.301 0.848 1.00 1.00 C ATOM 0 HA PRO A 60 5.988 2.524 1.617 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.000 -0.226 1.342 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.225 0.532 2.718 1.00 1.00 H new ATOM 0 HG2 PRO A 60 3.944 -0.571 0.196 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.330 -0.609 1.837 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.518 1.238 -0.088 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.343 1.481 1.638 1.00 1.00 H new ATOM 952 N GLN A 61 7.613 1.574 -0.051 1.00 1.00 N ATOM 953 CA GLN A 61 8.675 1.444 -1.062 1.00 1.00 C ATOM 954 C GLN A 61 9.624 0.258 -0.776 1.00 1.00 C ATOM 955 O GLN A 61 10.755 0.387 -0.305 1.00 1.00 O ATOM 956 CB GLN A 61 9.390 2.801 -1.293 1.00 1.00 C ATOM 957 CG GLN A 61 8.533 3.818 -2.080 1.00 1.00 C ATOM 958 CD GLN A 61 7.988 3.258 -3.400 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.619 2.500 -4.124 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.771 3.534 -3.777 1.00 1.00 N ATOM 0 H GLN A 61 7.979 1.481 0.896 1.00 1.00 H new ATOM 0 HA GLN A 61 8.210 1.186 -2.013 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.657 3.232 -0.328 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.321 2.626 -1.833 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.698 4.138 -1.457 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.133 4.704 -2.289 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.193 4.160 -3.216 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.397 3.124 -4.633 1.00 1.00 H new ATOM 969 N ILE A 62 9.109 -0.932 -1.079 1.00 1.00 N ATOM 970 CA ILE A 62 9.761 -2.263 -1.044 1.00 1.00 C ATOM 971 C ILE A 62 9.979 -2.911 -2.438 1.00 1.00 C ATOM 972 O ILE A 62 9.248 -2.683 -3.407 1.00 1.00 O ATOM 973 CB ILE A 62 8.995 -3.171 -0.036 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.358 -2.692 1.396 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.254 -4.689 -0.193 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.423 -3.146 2.514 1.00 1.00 C ATOM 0 H ILE A 62 8.139 -1.009 -1.384 1.00 1.00 H new ATOM 0 HA ILE A 62 10.783 -2.131 -0.689 1.00 1.00 H new ATOM 0 HB ILE A 62 7.930 -3.064 -0.243 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.365 -3.039 1.629 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.389 -1.602 1.396 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.677 -5.236 0.553 1.00 1.00 H new ATOM 0 HG22 ILE A 62 8.953 -5.008 -1.191 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.315 -4.894 -0.052 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.776 -2.751 3.467 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.416 -2.776 2.319 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.408 -4.235 2.556 1.00 1.00 H new ATOM 988 N PHE A 63 11.031 -3.739 -2.516 1.00 1.00 N ATOM 989 CA PHE A 63 11.444 -4.561 -3.661 1.00 1.00 C ATOM 990 C PHE A 63 11.695 -6.008 -3.179 1.00 1.00 C ATOM 991 O PHE A 63 12.650 -6.276 -2.447 1.00 1.00 O ATOM 992 CB PHE A 63 12.731 -4.000 -4.307 1.00 1.00 C ATOM 993 CG PHE A 63 12.606 -2.712 -5.118 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.292 -1.497 -4.460 1.00 1.00 C ATOM 995 CD2 PHE A 63 12.955 -2.677 -6.488 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.346 -0.266 -5.143 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.025 -1.442 -7.172 1.00 1.00 C ATOM 998 CZ PHE A 63 12.732 -0.235 -6.497 1.00 1.00 C ATOM 0 H PHE A 63 11.661 -3.860 -1.723 1.00 1.00 H new ATOM 0 HA PHE A 63 10.651 -4.546 -4.409 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.459 -3.829 -3.514 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.144 -4.770 -4.959 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.007 -1.515 -3.418 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.169 -3.596 -7.013 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.092 0.650 -4.630 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.304 -1.420 -8.215 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.804 0.708 -7.018 1.00 1.00 H new ATOM 1008 N VAL A 64 10.836 -6.947 -3.571 1.00 1.00 N ATOM 1009 CA VAL A 64 10.959 -8.402 -3.303 1.00 1.00 C ATOM 1010 C VAL A 64 11.659 -9.078 -4.492 1.00 1.00 C ATOM 1011 O VAL A 64 11.434 -8.708 -5.634 1.00 1.00 O ATOM 1012 CB VAL A 64 9.583 -9.040 -3.036 1.00 1.00 C ATOM 1013 CG1 VAL A 64 9.716 -10.517 -2.635 1.00 1.00 C ATOM 1014 CG2 VAL A 64 8.817 -8.327 -1.907 1.00 1.00 C ATOM 0 H VAL A 64 9.998 -6.719 -4.106 1.00 1.00 H new ATOM 0 HA VAL A 64 11.558 -8.547 -2.404 1.00 1.00 H new ATOM 0 HB VAL A 64 9.033 -8.944 -3.972 1.00 1.00 H new ATOM 0 HG11 VAL A 64 8.726 -10.935 -2.454 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.202 -11.070 -3.439 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.314 -10.595 -1.727 1.00 1.00 H new ATOM 0 HG21 VAL A 64 7.853 -8.814 -1.757 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.397 -8.378 -0.985 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.658 -7.283 -2.178 1.00 1.00 H new ATOM 1024 N ASP A 65 12.570 -10.018 -4.242 1.00 1.00 N ATOM 1025 CA ASP A 65 13.477 -10.673 -5.210 1.00 1.00 C ATOM 1026 C ASP A 65 14.118 -9.718 -6.274 1.00 1.00 C ATOM 1027 O ASP A 65 14.419 -10.115 -7.397 1.00 1.00 O ATOM 1028 CB ASP A 65 12.858 -11.986 -5.740 1.00 1.00 C ATOM 1029 CG ASP A 65 11.608 -11.867 -6.626 1.00 1.00 C ATOM 1030 OD1 ASP A 65 10.496 -11.649 -6.092 1.00 1.00 O ATOM 1031 OD2 ASP A 65 11.691 -12.221 -7.830 1.00 1.00 O ATOM 0 H ASP A 65 12.711 -10.373 -3.296 1.00 1.00 H new ATOM 0 HA ASP A 65 14.372 -10.973 -4.665 1.00 1.00 H new ATOM 0 HB2 ASP A 65 13.624 -12.516 -6.306 1.00 1.00 H new ATOM 0 HB3 ASP A 65 12.606 -12.611 -4.883 1.00 1.00 H new ATOM 1036 N GLN A 66 14.356 -8.448 -5.895 1.00 1.00 N ATOM 1037 CA GLN A 66 14.841 -7.288 -6.690 1.00 1.00 C ATOM 1038 C GLN A 66 13.827 -6.628 -7.673 1.00 1.00 C ATOM 1039 O GLN A 66 14.201 -5.735 -8.439 1.00 1.00 O ATOM 1040 CB GLN A 66 16.223 -7.562 -7.338 1.00 1.00 C ATOM 1041 CG GLN A 66 17.301 -8.148 -6.401 1.00 1.00 C ATOM 1042 CD GLN A 66 17.434 -7.405 -5.070 1.00 1.00 C ATOM 1043 OE1 GLN A 66 17.813 -6.246 -4.984 1.00 1.00 O ATOM 1044 NE2 GLN A 66 17.139 -8.020 -3.952 1.00 1.00 N ATOM 0 H GLN A 66 14.199 -8.174 -4.925 1.00 1.00 H new ATOM 0 HA GLN A 66 14.966 -6.508 -5.938 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.082 -8.249 -8.173 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.600 -6.628 -7.754 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.065 -9.193 -6.201 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.263 -8.131 -6.914 1.00 1.00 H new ATOM 0 HE21 GLN A 66 16.818 -8.988 -3.972 1.00 1.00 H new ATOM 0 HE22 GLN A 66 17.230 -7.531 -3.062 1.00 1.00 H new ATOM 1053 N GLN A 67 12.541 -7.000 -7.617 1.00 1.00 N ATOM 1054 CA GLN A 67 11.388 -6.405 -8.328 1.00 1.00 C ATOM 1055 C GLN A 67 10.469 -5.608 -7.380 1.00 1.00 C ATOM 1056 O GLN A 67 10.276 -5.974 -6.217 1.00 1.00 O ATOM 1057 CB GLN A 67 10.559 -7.476 -9.076 1.00 1.00 C ATOM 1058 CG GLN A 67 9.993 -8.637 -8.233 1.00 1.00 C ATOM 1059 CD GLN A 67 8.972 -9.468 -8.998 1.00 1.00 C ATOM 1060 OE1 GLN A 67 9.167 -9.822 -10.150 1.00 1.00 O ATOM 1061 NE2 GLN A 67 7.878 -9.865 -8.396 1.00 1.00 N ATOM 0 H GLN A 67 12.252 -7.783 -7.031 1.00 1.00 H new ATOM 0 HA GLN A 67 11.809 -5.715 -9.059 1.00 1.00 H new ATOM 0 HB2 GLN A 67 9.725 -6.976 -9.568 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.184 -7.901 -9.862 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.812 -9.280 -7.910 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.529 -8.235 -7.332 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.694 -9.582 -7.434 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.210 -10.457 -8.890 1.00 1.00 H new ATOM 1070 N HIS A 68 9.853 -4.527 -7.870 1.00 1.00 N ATOM 1071 CA HIS A 68 8.928 -3.686 -7.093 1.00 1.00 C ATOM 1072 C HIS A 68 7.638 -4.424 -6.671 1.00 1.00 C ATOM 1073 O HIS A 68 6.814 -4.800 -7.505 1.00 1.00 O ATOM 1074 CB HIS A 68 8.617 -2.382 -7.842 1.00 1.00 C ATOM 1075 CG HIS A 68 7.949 -1.357 -6.947 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.592 -1.227 -6.707 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.600 -0.441 -6.168 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.426 -0.220 -5.825 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.637 0.266 -5.477 1.00 1.00 N ATOM 0 H HIS A 68 9.983 -4.205 -8.829 1.00 1.00 H new ATOM 0 HA HIS A 68 9.440 -3.436 -6.164 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.541 -1.965 -8.243 1.00 1.00 H new ATOM 0 HB3 HIS A 68 7.969 -2.598 -8.692 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.669 -0.298 -6.105 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.477 0.140 -5.456 1.00 1.00 H new ATOM 0 HE2 HIS A 68 7.810 1.025 -4.817 1.00 1.00 H new ATOM 1088 N ILE A 69 7.481 -4.574 -5.355 1.00 1.00 N ATOM 1089 CA ILE A 69 6.308 -5.067 -4.607 1.00 1.00 C ATOM 1090 C ILE A 69 6.122 -4.055 -3.472 1.00 1.00 C ATOM 1091 O ILE A 69 6.804 -4.147 -2.454 1.00 1.00 O ATOM 1092 CB ILE A 69 6.477 -6.508 -4.051 1.00 1.00 C ATOM 1093 CG1 ILE A 69 6.755 -7.588 -5.127 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.254 -6.906 -3.186 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.668 -7.796 -6.194 1.00 1.00 C ATOM 0 H ILE A 69 8.241 -4.332 -4.719 1.00 1.00 H new ATOM 0 HA ILE A 69 5.441 -5.141 -5.263 1.00 1.00 H new ATOM 0 HB ILE A 69 7.375 -6.475 -3.434 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.685 -7.331 -5.634 1.00 1.00 H new ATOM 0 HG13 ILE A 69 6.920 -8.539 -4.620 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.391 -7.918 -2.806 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.159 -6.214 -2.349 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.350 -6.866 -3.794 1.00 1.00 H new ATOM 0 HD11 ILE A 69 5.983 -8.577 -6.886 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.737 -8.092 -5.712 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.513 -6.866 -6.742 1.00 1.00 H new ATOM 1107 N GLY A 70 5.256 -3.057 -3.686 1.00 1.00 N ATOM 1108 CA GLY A 70 4.984 -1.870 -2.854 1.00 1.00 C ATOM 1109 C GLY A 70 5.501 -1.915 -1.412 1.00 1.00 C ATOM 1110 O GLY A 70 6.267 -1.054 -0.993 1.00 1.00 O ATOM 0 H GLY A 70 4.672 -3.056 -4.522 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.420 -1.001 -3.346 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.906 -1.713 -2.826 1.00 1.00 H new ATOM 1114 N GLY A 71 5.056 -2.915 -0.650 1.00 1.00 N ATOM 1115 CA GLY A 71 5.286 -3.109 0.787 1.00 1.00 C ATOM 1116 C GLY A 71 3.997 -3.448 1.517 1.00 1.00 C ATOM 1117 O GLY A 71 3.147 -4.107 0.945 1.00 1.00 O ATOM 0 H GLY A 71 4.486 -3.663 -1.045 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.011 -3.909 0.936 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.719 -2.204 1.213 1.00 1.00 H new ATOM 1121 N TYR A 72 3.802 -2.939 2.734 1.00 1.00 N ATOM 1122 CA TYR A 72 2.668 -3.211 3.646 1.00 1.00 C ATOM 1123 C TYR A 72 1.318 -3.491 2.924 1.00 1.00 C ATOM 1124 O TYR A 72 0.739 -4.535 3.174 1.00 1.00 O ATOM 1125 CB TYR A 72 2.632 -2.012 4.613 1.00 1.00 C ATOM 1126 CG TYR A 72 1.693 -1.943 5.807 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.596 -2.819 6.005 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.894 -0.866 6.705 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -0.323 -2.568 7.048 1.00 1.00 C ATOM 1130 CE2 TYR A 72 0.982 -0.625 7.752 1.00 1.00 C ATOM 1131 CZ TYR A 72 -0.140 -1.469 7.919 1.00 1.00 C ATOM 1132 OH TYR A 72 -1.033 -1.240 8.908 1.00 1.00 O ATOM 0 H TYR A 72 4.468 -2.284 3.144 1.00 1.00 H new ATOM 0 HA TYR A 72 2.817 -4.146 4.187 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.642 -1.900 5.006 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.427 -1.130 4.006 1.00 1.00 H new ATOM 0 HD1 TYR A 72 0.463 -3.675 5.361 1.00 1.00 H new ATOM 0 HD2 TYR A 72 2.754 -0.224 6.586 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -1.173 -3.221 7.181 1.00 1.00 H new ATOM 0 HE2 TYR A 72 1.140 0.204 8.426 1.00 1.00 H new ATOM 0 HH TYR A 72 -0.762 -0.448 9.417 1.00 1.00 H new ATOM 1142 N THR A 73 0.846 -2.655 1.982 1.00 1.00 N ATOM 1143 CA THR A 73 -0.347 -2.926 1.111 1.00 1.00 C ATOM 1144 C THR A 73 -0.228 -4.180 0.208 1.00 1.00 C ATOM 1145 O THR A 73 -0.998 -5.131 0.340 1.00 1.00 O ATOM 1146 CB THR A 73 -0.702 -1.686 0.259 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.854 -1.900 -0.515 1.00 1.00 O ATOM 1148 CG2 THR A 73 0.422 -1.140 -0.637 1.00 1.00 C ATOM 0 H THR A 73 1.280 -1.752 1.789 1.00 1.00 H new ATOM 0 HA THR A 73 -1.155 -3.145 1.809 1.00 1.00 H new ATOM 0 HB THR A 73 -0.882 -0.915 1.008 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.798 -1.371 -1.338 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.059 -0.272 -1.187 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.271 -0.849 -0.019 1.00 1.00 H new ATOM 0 HG23 THR A 73 0.733 -1.912 -1.341 1.00 1.00 H new ATOM 1156 N ASP A 74 0.756 -4.189 -0.694 1.00 1.00 N ATOM 1157 CA ASP A 74 1.113 -5.206 -1.704 1.00 1.00 C ATOM 1158 C ASP A 74 1.504 -6.542 -1.021 1.00 1.00 C ATOM 1159 O ASP A 74 0.904 -7.591 -1.223 1.00 1.00 O ATOM 1160 CB ASP A 74 2.297 -4.614 -2.519 1.00 1.00 C ATOM 1161 CG ASP A 74 1.899 -3.849 -3.796 1.00 1.00 C ATOM 1162 OD1 ASP A 74 0.869 -3.135 -3.787 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.693 -3.793 -4.763 1.00 1.00 O ATOM 0 H ASP A 74 1.398 -3.398 -0.746 1.00 1.00 H new ATOM 0 HA ASP A 74 0.271 -5.432 -2.358 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.861 -3.941 -1.873 1.00 1.00 H new ATOM 0 HB3 ASP A 74 2.968 -5.427 -2.796 1.00 1.00 H new ATOM 1168 N PHE A 75 2.507 -6.476 -0.149 1.00 1.00 N ATOM 1169 CA PHE A 75 2.988 -7.522 0.759 1.00 1.00 C ATOM 1170 C PHE A 75 1.897 -8.134 1.658 1.00 1.00 C ATOM 1171 O PHE A 75 1.921 -9.342 1.874 1.00 1.00 O ATOM 1172 CB PHE A 75 4.204 -7.008 1.569 1.00 1.00 C ATOM 1173 CG PHE A 75 5.407 -7.932 1.648 1.00 1.00 C ATOM 1174 CD1 PHE A 75 5.769 -8.769 0.558 1.00 1.00 C ATOM 1175 CD2 PHE A 75 6.260 -7.850 2.773 1.00 1.00 C ATOM 1176 CE1 PHE A 75 6.953 -9.523 0.603 1.00 1.00 C ATOM 1177 CE2 PHE A 75 7.469 -8.574 2.796 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.815 -9.392 1.702 1.00 1.00 C ATOM 0 H PHE A 75 3.052 -5.619 -0.049 1.00 1.00 H new ATOM 0 HA PHE A 75 3.311 -8.354 0.133 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.528 -6.063 1.134 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.871 -6.794 2.585 1.00 1.00 H new ATOM 0 HD1 PHE A 75 5.130 -8.826 -0.310 1.00 1.00 H new ATOM 0 HD2 PHE A 75 5.985 -7.232 3.615 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.198 -10.199 -0.203 1.00 1.00 H new ATOM 0 HE2 PHE A 75 8.128 -8.502 3.649 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.755 -9.924 1.710 1.00 1.00 H new ATOM 1188 N ALA A 76 0.925 -7.359 2.165 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.237 -7.921 2.870 1.00 1.00 C ATOM 1190 C ALA A 76 -1.135 -8.760 1.930 1.00 1.00 C ATOM 1191 O ALA A 76 -1.587 -9.832 2.346 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.030 -6.825 3.568 1.00 1.00 C ATOM 0 H ALA A 76 0.921 -6.341 2.100 1.00 1.00 H new ATOM 0 HA ALA A 76 0.141 -8.601 3.633 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.884 -7.265 4.082 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.392 -6.319 4.292 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.383 -6.105 2.830 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.378 -8.302 0.690 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.060 -9.073 -0.362 1.00 1.00 C ATOM 1200 C ALA A 77 -1.272 -10.367 -0.714 1.00 1.00 C ATOM 1201 O ALA A 77 -1.862 -11.444 -0.737 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.307 -8.144 -1.565 1.00 1.00 C ATOM 0 H ALA A 77 -1.101 -7.369 0.386 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.030 -9.427 -0.011 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.812 -8.699 -2.356 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.930 -7.305 -1.255 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.353 -7.769 -1.937 1.00 1.00 H new ATOM 1208 N TRP A 78 0.069 -10.298 -0.815 1.00 1.00 N ATOM 1209 CA TRP A 78 1.013 -11.431 -0.963 1.00 1.00 C ATOM 1210 C TRP A 78 0.866 -12.436 0.202 1.00 1.00 C ATOM 1211 O TRP A 78 0.667 -13.626 -0.032 1.00 1.00 O ATOM 1212 CB TRP A 78 2.465 -10.928 -1.103 1.00 1.00 C ATOM 1213 CG TRP A 78 3.506 -11.982 -1.367 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.945 -12.356 -2.592 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.239 -12.816 -0.410 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.903 -13.346 -2.464 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.095 -13.698 -1.146 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.256 -12.940 1.004 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 5.897 -14.672 -0.521 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.053 -13.917 1.646 1.00 1.00 C ATOM 1221 CH2 TRP A 78 5.867 -14.785 0.885 1.00 1.00 C ATOM 0 H TRP A 78 0.554 -9.401 -0.795 1.00 1.00 H new ATOM 0 HA TRP A 78 0.761 -11.961 -1.882 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.500 -10.200 -1.914 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.735 -10.400 -0.189 1.00 1.00 H new ATOM 0 HD1 TRP A 78 3.599 -11.944 -3.528 1.00 1.00 H new ATOM 0 HE1 TRP A 78 5.405 -13.763 -3.248 1.00 1.00 H new ATOM 0 HE3 TRP A 78 3.649 -12.276 1.601 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.526 -15.323 -1.110 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 5.039 -13.999 2.723 1.00 1.00 H new ATOM 0 HH2 TRP A 78 6.466 -15.535 1.379 1.00 1.00 H new ATOM 1232 N VAL A 79 0.947 -11.966 1.459 1.00 1.00 N ATOM 1233 CA VAL A 79 0.680 -12.720 2.711 1.00 1.00 C ATOM 1234 C VAL A 79 -0.684 -13.432 2.675 1.00 1.00 C ATOM 1235 O VAL A 79 -0.704 -14.642 2.873 1.00 1.00 O ATOM 1236 CB VAL A 79 0.855 -11.839 3.978 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.262 -12.452 5.259 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.344 -11.558 4.258 1.00 1.00 C ATOM 0 H VAL A 79 1.214 -11.000 1.646 1.00 1.00 H new ATOM 0 HA VAL A 79 1.438 -13.501 2.775 1.00 1.00 H new ATOM 0 HB VAL A 79 0.308 -10.925 3.747 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.427 -11.774 6.097 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.808 -12.610 5.125 1.00 1.00 H new ATOM 0 HG13 VAL A 79 0.747 -13.406 5.464 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.436 -10.939 5.151 1.00 1.00 H new ATOM 0 HG22 VAL A 79 2.869 -12.500 4.414 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.782 -11.035 3.408 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.808 -12.746 2.379 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.142 -13.379 2.158 1.00 1.00 C ATOM 1250 C LYS A 80 -3.079 -14.484 1.077 1.00 1.00 C ATOM 1251 O LYS A 80 -3.437 -15.626 1.335 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.223 -12.333 1.792 1.00 1.00 C ATOM 1253 CG LYS A 80 -4.672 -11.354 2.896 1.00 1.00 C ATOM 1254 CD LYS A 80 -5.455 -11.974 4.071 1.00 1.00 C ATOM 1255 CE LYS A 80 -4.628 -12.227 5.343 1.00 1.00 C ATOM 1256 NZ LYS A 80 -4.451 -11.004 6.163 1.00 1.00 N ATOM 0 H LYS A 80 -1.824 -11.731 2.284 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.425 -13.842 3.103 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.851 -11.745 0.953 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -5.104 -12.870 1.440 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -3.788 -10.858 3.296 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.291 -10.582 2.440 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -6.286 -11.315 4.322 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -5.886 -12.920 3.742 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -5.117 -12.994 5.943 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -3.649 -12.617 5.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -3.887 -11.231 7.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -3.960 -10.279 5.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.382 -10.644 6.455 1.00 1.00 H new ATOM 1270 N GLU A 81 -2.551 -14.158 -0.104 1.00 1.00 N ATOM 1271 CA GLU A 81 -2.247 -15.056 -1.244 1.00 1.00 C ATOM 1272 C GLU A 81 -1.281 -16.237 -0.930 1.00 1.00 C ATOM 1273 O GLU A 81 -1.127 -17.128 -1.768 1.00 1.00 O ATOM 1274 CB GLU A 81 -1.786 -14.205 -2.452 1.00 1.00 C ATOM 1275 CG GLU A 81 -2.916 -13.321 -3.030 1.00 1.00 C ATOM 1276 CD GLU A 81 -2.412 -12.135 -3.870 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.571 -12.306 -4.784 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -2.942 -11.005 -3.733 1.00 1.00 O ATOM 0 H GLU A 81 -2.303 -13.191 -0.315 1.00 1.00 H new ATOM 0 HA GLU A 81 -3.174 -15.573 -1.491 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -0.955 -13.570 -2.147 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -1.412 -14.866 -3.234 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.568 -13.939 -3.647 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -3.522 -12.940 -2.208 1.00 1.00 H new ATOM 1285 N ASN A 82 -0.579 -16.236 0.215 1.00 1.00 N ATOM 1286 CA ASN A 82 0.243 -17.323 0.782 1.00 1.00 C ATOM 1287 C ASN A 82 -0.488 -18.109 1.906 1.00 1.00 C ATOM 1288 O ASN A 82 -0.643 -19.328 1.822 1.00 1.00 O ATOM 1289 CB ASN A 82 1.608 -16.754 1.238 1.00 1.00 C ATOM 1290 CG ASN A 82 2.599 -16.655 0.092 1.00 1.00 C ATOM 1291 OD1 ASN A 82 3.450 -17.513 -0.095 1.00 1.00 O ATOM 1292 ND2 ASN A 82 2.514 -15.648 -0.729 1.00 1.00 N ATOM 0 H ASN A 82 -0.569 -15.412 0.817 1.00 1.00 H new ATOM 0 HA ASN A 82 0.422 -18.061 0.000 1.00 1.00 H new ATOM 0 HB2 ASN A 82 1.460 -15.766 1.675 1.00 1.00 H new ATOM 0 HB3 ASN A 82 2.022 -17.390 2.020 1.00 1.00 H new ATOM 0 HD21 ASN A 82 3.154 -15.580 -1.520 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.807 -14.928 -0.581 1.00 1.00 H new ATOM 1299 N LEU A 83 -0.892 -17.424 2.984 1.00 1.00 N ATOM 1300 CA LEU A 83 -1.542 -17.954 4.196 1.00 1.00 C ATOM 1301 C LEU A 83 -3.008 -18.377 3.958 1.00 1.00 C ATOM 1302 O LEU A 83 -3.342 -19.555 4.092 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.420 -16.937 5.361 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.004 -16.407 5.697 1.00 1.00 C ATOM 1305 CD1 LEU A 83 -0.020 -15.697 7.057 1.00 1.00 C ATOM 1306 CD2 LEU A 83 1.069 -17.499 5.709 1.00 1.00 C ATOM 0 H LEU A 83 -0.766 -16.413 3.039 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.013 -18.866 4.473 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.054 -16.081 5.129 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.828 -17.402 6.259 1.00 1.00 H new ATOM 0 HG LEU A 83 0.259 -15.710 4.901 1.00 1.00 H new ATOM 0 HD11 LEU A 83 0.979 -15.327 7.286 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.718 -14.860 7.022 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.333 -16.399 7.830 1.00 1.00 H new ATOM 0 HD21 LEU A 83 2.035 -17.057 5.951 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.816 -18.250 6.457 1.00 1.00 H new ATOM 0 HD23 LEU A 83 1.121 -17.969 4.727 1.00 1.00 H new ATOM 1318 N ASP A 84 -3.876 -17.434 3.588 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.299 -17.596 3.226 1.00 1.00 C ATOM 1320 C ASP A 84 -5.564 -18.278 1.853 1.00 1.00 C ATOM 1321 O ASP A 84 -6.726 -18.512 1.500 1.00 1.00 O ATOM 1322 CB ASP A 84 -5.996 -16.225 3.365 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.844 -15.674 4.785 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -4.812 -15.036 5.065 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -6.740 -15.941 5.625 1.00 1.00 O ATOM 0 H ASP A 84 -3.587 -16.458 3.526 1.00 1.00 H new ATOM 0 HA ASP A 84 -5.735 -18.310 3.925 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.569 -15.522 2.650 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.054 -16.324 3.121 1.00 1.00 H new ATOM 1330 N ALA A 85 -4.501 -18.666 1.130 1.00 1.00 N ATOM 1331 CA ALA A 85 -4.439 -19.457 -0.113 1.00 1.00 C ATOM 1332 C ALA A 85 -5.169 -20.813 -0.055 1.00 1.00 C ATOM 1333 O ALA A 85 -4.898 -21.626 0.864 1.00 1.00 O ATOM 1334 CB ALA A 85 -2.954 -19.659 -0.458 1.00 1.00 C ATOM 1335 OXT ALA A 85 -5.929 -21.114 -1.003 1.00 1.00 O ATOM 0 H ALA A 85 -3.563 -18.406 1.434 1.00 1.00 H new ATOM 0 HA ALA A 85 -4.968 -18.898 -0.885 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -2.870 -20.242 -1.375 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -2.478 -18.689 -0.600 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -2.460 -20.190 0.356 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.403 1.870 1.650 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.790 2.295 0.349 1.00 1.00 C ATOM 1579 C GLU B 144 -0.411 3.796 0.187 1.00 1.00 C ATOM 1580 O GLU B 144 0.153 4.194 -0.838 1.00 1.00 O ATOM 1581 CB GLU B 144 -1.649 1.781 -0.835 1.00 1.00 C ATOM 1582 CG GLU B 144 -2.862 2.631 -1.250 1.00 1.00 C ATOM 1583 CD GLU B 144 -2.498 3.734 -2.261 1.00 1.00 C ATOM 1584 OE1 GLU B 144 -2.060 3.418 -3.399 1.00 1.00 O ATOM 1585 OE2 GLU B 144 -2.669 4.933 -1.933 1.00 1.00 O ATOM 0 HA GLU B 144 0.190 1.819 0.349 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -0.998 1.676 -1.703 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -2.007 0.783 -0.583 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -3.623 1.983 -1.684 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -3.301 3.088 -0.363 1.00 1.00 H new ATOM 1592 N SER B 145 -0.682 4.636 1.195 1.00 1.00 N ATOM 1593 CA SER B 145 -0.428 6.095 1.207 1.00 1.00 C ATOM 1594 C SER B 145 0.463 6.566 2.383 1.00 1.00 C ATOM 1595 O SER B 145 0.638 5.869 3.386 1.00 1.00 O ATOM 1596 CB SER B 145 -1.787 6.810 1.127 1.00 1.00 C ATOM 1597 OG SER B 145 -1.696 8.210 1.335 1.00 1.00 O ATOM 0 H SER B 145 -1.103 4.310 2.065 1.00 1.00 H new ATOM 0 HA SER B 145 0.170 6.364 0.336 1.00 1.00 H new ATOM 0 HB2 SER B 145 -2.232 6.623 0.150 1.00 1.00 H new ATOM 0 HB3 SER B 145 -2.460 6.382 1.870 1.00 1.00 H new ATOM 0 HG SER B 145 -2.589 8.609 1.271 1.00 1.00 H new ATOM 1603 N GLY B 146 1.067 7.757 2.243 1.00 1.00 N ATOM 1604 CA GLY B 146 1.865 8.450 3.278 1.00 1.00 C ATOM 1605 C GLY B 146 2.912 9.478 2.805 1.00 1.00 C ATOM 1606 O GLY B 146 3.539 10.118 3.644 1.00 1.00 O ATOM 0 H GLY B 146 1.013 8.288 1.374 1.00 1.00 H new ATOM 0 HA2 GLY B 146 1.174 8.960 3.949 1.00 1.00 H new ATOM 0 HA3 GLY B 146 2.381 7.692 3.867 1.00 1.00 H new ATOM 1610 N ALA B 147 3.155 9.615 1.491 1.00 1.00 N ATOM 1611 CA ALA B 147 3.994 10.632 0.807 1.00 1.00 C ATOM 1612 C ALA B 147 5.471 10.780 1.324 1.00 1.00 C ATOM 1613 O ALA B 147 6.158 11.772 1.060 1.00 1.00 O ATOM 1614 CB ALA B 147 3.216 11.960 0.813 1.00 1.00 C ATOM 0 H ALA B 147 2.740 8.969 0.820 1.00 1.00 H new ATOM 0 HA ALA B 147 4.162 10.282 -0.212 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.807 12.730 0.317 1.00 1.00 H new ATOM 0 HB2 ALA B 147 2.271 11.831 0.285 1.00 1.00 H new ATOM 0 HB3 ALA B 147 3.018 12.261 1.842 1.00 1.00 H new ATOM 1620 N CYS B 148 5.966 9.774 2.046 1.00 1.00 N ATOM 1621 CA CYS B 148 7.228 9.659 2.805 1.00 1.00 C ATOM 1622 C CYS B 148 8.517 9.485 1.960 1.00 1.00 C ATOM 1623 O CYS B 148 8.619 8.518 1.204 1.00 1.00 O ATOM 1624 CB CYS B 148 7.010 8.444 3.714 1.00 1.00 C ATOM 1625 SG CYS B 148 8.291 7.909 4.865 1.00 1.00 S ATOM 0 H CYS B 148 5.430 8.910 2.127 1.00 1.00 H new ATOM 0 HA CYS B 148 7.415 10.595 3.332 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.113 8.641 4.302 1.00 1.00 H new ATOM 0 HB3 CYS B 148 6.787 7.596 3.067 1.00 1.00 H new ATOM 1630 N LYS B 149 9.511 10.380 2.143 1.00 1.00 N ATOM 1631 CA LYS B 149 10.885 10.432 1.551 1.00 1.00 C ATOM 1632 C LYS B 149 11.699 11.691 1.972 1.00 1.00 C ATOM 1633 O LYS B 149 11.235 12.480 2.803 1.00 1.00 O ATOM 1634 CB LYS B 149 10.845 10.214 0.006 1.00 1.00 C ATOM 1635 CG LYS B 149 9.993 11.195 -0.833 1.00 1.00 C ATOM 1636 CD LYS B 149 10.576 12.614 -0.838 1.00 1.00 C ATOM 1637 CE LYS B 149 9.991 13.517 -1.923 1.00 1.00 C ATOM 1638 NZ LYS B 149 10.780 14.769 -1.990 1.00 1.00 N ATOM 0 H LYS B 149 9.366 11.170 2.772 1.00 1.00 H new ATOM 0 HA LYS B 149 11.439 9.596 1.978 1.00 1.00 H new ATOM 0 HB2 LYS B 149 11.869 10.255 -0.366 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.478 9.205 -0.182 1.00 1.00 H new ATOM 0 HG2 LYS B 149 9.925 10.829 -1.857 1.00 1.00 H new ATOM 0 HG3 LYS B 149 8.978 11.223 -0.436 1.00 1.00 H new ATOM 0 HD2 LYS B 149 10.402 13.072 0.136 1.00 1.00 H new ATOM 0 HD3 LYS B 149 11.656 12.553 -0.973 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.011 13.008 -2.887 1.00 1.00 H new ATOM 0 HE3 LYS B 149 8.947 13.742 -1.703 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.142 15.586 -1.911 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 11.467 14.789 -1.209 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 11.286 14.812 -2.897 1.00 1.00 H new ATOM 1652 N ILE B 150 12.925 11.867 1.440 1.00 1.00 N ATOM 1653 CA ILE B 150 13.833 13.048 1.611 1.00 1.00 C ATOM 1654 C ILE B 150 13.182 14.418 1.339 1.00 1.00 C ATOM 1655 O ILE B 150 12.624 14.663 0.242 1.00 1.00 O ATOM 1656 CB ILE B 150 15.180 12.840 0.862 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.275 13.862 1.262 1.00 1.00 C ATOM 1658 CG2 ILE B 150 14.979 12.889 -0.661 1.00 1.00 C ATOM 1659 CD1 ILE B 150 16.835 13.681 2.680 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.206 15.248 2.275 1.00 1.00 O ATOM 0 H ILE B 150 13.344 11.154 0.843 1.00 1.00 H new ATOM 0 HA ILE B 150 14.056 13.093 2.677 1.00 1.00 H new ATOM 0 HB ILE B 150 15.528 11.852 1.163 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.097 13.791 0.550 1.00 1.00 H new ATOM 0 HG13 ILE B 150 15.864 14.868 1.174 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.937 12.741 -1.159 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.288 12.102 -0.962 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.570 13.859 -0.943 1.00 1.00 H new ATOM 0 HD11 ILE B 150 17.594 14.440 2.871 1.00 1.00 H new ATOM 0 HD12 ILE B 150 16.028 13.784 3.406 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.281 12.691 2.771 1.00 1.00 H new