USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 56 ASN : amide:sc= -4.3! C(o=-6.8!,f=-6!) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 GLN : amide:sc= -3.44 K(o=-6.8,f=-9.8!) USER MOD Set 1.4: A 70 TYR OH : rot -63:sc= 0.98 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0371 (180deg=-0.207) USER MOD Single : A 2 SER OG : rot 180:sc= -0.168 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0364 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 44:sc= 0.052 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.347) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00732 USER MOD Single : A 20 GLN : amide:sc= -2.68 K(o=-2.7,f=-4.1!) USER MOD Single : A 21 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.22) USER MOD Single : A 22 SER OG : rot -41:sc= 0.103 USER MOD Single : A 25 THR OG1 : rot -91:sc= 0.64 USER MOD Single : A 31 LYS NZ :NH3+ 133:sc= -0.241 (180deg=-0.975) USER MOD Single : A 34 GLN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 SER OG : rot 100:sc= -0.644 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.7) USER MOD Single : A 50 MET CE :methyl -176:sc= -0.0407 (180deg=-0.0478) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 69 GLN : amide:sc= -3.21 K(o=-3.2,f=-18!) USER MOD Single : A 71 CYS SG : rot -107:sc= 0.831 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0428 K(o=-0.043,f=-0.55) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 87 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.610 -1.424 0.303 1.00 0.00 N ATOM 2 CA MET A 1 18.698 -0.053 -0.265 1.00 0.00 C ATOM 3 C MET A 1 17.356 0.397 -0.833 1.00 0.00 C ATOM 4 O MET A 1 17.047 1.588 -0.850 1.00 0.00 O ATOM 5 CB MET A 1 19.764 -0.049 -1.362 1.00 0.00 C ATOM 6 CG MET A 1 20.581 1.233 -1.412 1.00 0.00 C ATOM 7 SD MET A 1 21.689 1.405 0.000 1.00 0.00 S ATOM 8 CE MET A 1 22.937 2.495 -0.681 1.00 0.00 C ATOM 0 H1 MET A 1 19.466 -1.626 0.858 1.00 0.00 H new ATOM 0 H2 MET A 1 17.775 -1.492 0.919 1.00 0.00 H new ATOM 0 H3 MET A 1 18.527 -2.115 -0.470 1.00 0.00 H new ATOM 0 HA MET A 1 18.969 0.646 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.436 -0.893 -1.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.281 -0.200 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.165 1.251 -2.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.906 2.088 -1.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.696 2.696 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.402 2.021 -1.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.473 3.432 -0.988 1.00 0.00 H new ATOM 20 N SER A 2 16.563 -0.563 -1.296 1.00 0.00 N ATOM 21 CA SER A 2 15.253 -0.265 -1.865 1.00 0.00 C ATOM 22 C SER A 2 14.220 -0.044 -0.765 1.00 0.00 C ATOM 23 O SER A 2 14.450 -0.387 0.395 1.00 0.00 O ATOM 24 CB SER A 2 14.802 -1.401 -2.784 1.00 0.00 C ATOM 25 OG SER A 2 13.519 -1.140 -3.326 1.00 0.00 O ATOM 0 H SER A 2 16.804 -1.554 -1.289 1.00 0.00 H new ATOM 0 HA SER A 2 15.338 0.652 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.523 -1.527 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.781 -2.337 -2.226 1.00 0.00 H new ATOM 0 HG SER A 2 13.254 -1.880 -3.911 1.00 0.00 H new ATOM 31 N GLY A 3 13.081 0.531 -1.137 1.00 0.00 N ATOM 32 CA GLY A 3 12.029 0.788 -0.171 1.00 0.00 C ATOM 33 C GLY A 3 10.652 0.801 -0.803 1.00 0.00 C ATOM 34 O GLY A 3 10.513 0.607 -2.011 1.00 0.00 O ATOM 0 H GLY A 3 12.868 0.824 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.061 0.026 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.212 1.747 0.314 1.00 0.00 H new ATOM 38 N LEU A 4 9.630 1.032 0.014 1.00 0.00 N ATOM 39 CA LEU A 4 8.255 1.070 -0.471 1.00 0.00 C ATOM 40 C LEU A 4 7.432 2.084 0.317 1.00 0.00 C ATOM 41 O LEU A 4 7.466 2.102 1.547 1.00 0.00 O ATOM 42 CB LEU A 4 7.616 -0.317 -0.371 1.00 0.00 C ATOM 43 CG LEU A 4 7.612 -1.123 -1.671 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.900 -1.919 -1.811 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.404 -2.047 -1.719 1.00 0.00 C ATOM 0 H LEU A 4 9.728 1.196 1.016 1.00 0.00 H new ATOM 0 HA LEU A 4 8.271 1.376 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.144 -0.889 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.587 -0.203 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 4 7.548 -0.427 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.878 -2.486 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.750 -1.237 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.996 -2.606 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.416 -2.613 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.439 -2.736 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.491 -1.455 -1.666 1.00 0.00 H new ATOM 57 N ARG A 5 6.696 2.927 -0.398 1.00 0.00 N ATOM 58 CA ARG A 5 5.868 3.945 0.240 1.00 0.00 C ATOM 59 C ARG A 5 4.434 3.454 0.409 1.00 0.00 C ATOM 60 O ARG A 5 3.557 3.782 -0.391 1.00 0.00 O ATOM 61 CB ARG A 5 5.881 5.239 -0.578 1.00 0.00 C ATOM 62 CG ARG A 5 7.223 5.541 -1.228 1.00 0.00 C ATOM 63 CD ARG A 5 7.683 6.959 -0.930 1.00 0.00 C ATOM 64 NE ARG A 5 8.656 7.001 0.159 1.00 0.00 N ATOM 65 CZ ARG A 5 8.960 8.104 0.840 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.370 9.257 0.547 1.00 0.00 N ATOM 67 NH2 ARG A 5 9.855 8.054 1.816 1.00 0.00 N ATOM 0 H ARG A 5 6.655 2.926 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 5 6.286 4.145 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.118 5.175 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.607 6.071 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.970 4.833 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.145 5.402 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.124 7.393 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.821 7.573 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 5 9.130 6.134 0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.680 9.301 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.607 10.099 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.311 7.171 2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.088 8.899 2.338 1.00 0.00 H new ATOM 81 N VAL A 6 4.201 2.671 1.457 1.00 0.00 N ATOM 82 CA VAL A 6 2.872 2.142 1.733 1.00 0.00 C ATOM 83 C VAL A 6 2.005 3.189 2.423 1.00 0.00 C ATOM 84 O VAL A 6 2.264 3.567 3.565 1.00 0.00 O ATOM 85 CB VAL A 6 2.939 0.882 2.617 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.568 0.234 2.730 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.959 -0.103 2.065 1.00 0.00 C ATOM 0 H VAL A 6 4.915 2.389 2.128 1.00 0.00 H new ATOM 0 HA VAL A 6 2.428 1.876 0.774 1.00 0.00 H new ATOM 0 HB VAL A 6 3.257 1.178 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.636 -0.654 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.867 0.940 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.217 -0.049 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.993 -0.987 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.673 -0.395 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.943 0.366 2.043 1.00 0.00 H new ATOM 97 N TYR A 7 0.980 3.659 1.721 1.00 0.00 N ATOM 98 CA TYR A 7 0.082 4.669 2.269 1.00 0.00 C ATOM 99 C TYR A 7 -0.943 4.042 3.206 1.00 0.00 C ATOM 100 O TYR A 7 -1.435 2.941 2.960 1.00 0.00 O ATOM 101 CB TYR A 7 -0.631 5.416 1.140 1.00 0.00 C ATOM 102 CG TYR A 7 0.206 6.505 0.507 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.334 7.749 1.111 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.869 6.288 -0.694 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.098 8.747 0.536 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.636 7.280 -1.276 1.00 0.00 C ATOM 107 CZ TYR A 7 1.747 8.507 -0.657 1.00 0.00 C ATOM 108 OH TYR A 7 2.509 9.498 -1.232 1.00 0.00 O ATOM 0 H TYR A 7 0.750 3.358 0.774 1.00 0.00 H new ATOM 0 HA TYR A 7 0.682 5.376 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.923 4.701 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.549 5.856 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.172 7.940 2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.784 5.328 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.186 9.709 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.145 7.095 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 7 2.899 9.167 -2.068 1.00 0.00 H new ATOM 118 N SER A 8 -1.260 4.755 4.281 1.00 0.00 N ATOM 119 CA SER A 8 -2.228 4.275 5.260 1.00 0.00 C ATOM 120 C SER A 8 -2.904 5.442 5.971 1.00 0.00 C ATOM 121 O SER A 8 -2.567 6.603 5.738 1.00 0.00 O ATOM 122 CB SER A 8 -1.543 3.366 6.283 1.00 0.00 C ATOM 123 OG SER A 8 -2.496 2.652 7.051 1.00 0.00 O ATOM 0 H SER A 8 -0.860 5.668 4.497 1.00 0.00 H new ATOM 0 HA SER A 8 -2.991 3.703 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.887 2.664 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.915 3.965 6.943 1.00 0.00 H new ATOM 0 HG SER A 8 -2.032 2.078 7.696 1.00 0.00 H new ATOM 129 N THR A 9 -3.859 5.128 6.840 1.00 0.00 N ATOM 130 CA THR A 9 -4.580 6.153 7.585 1.00 0.00 C ATOM 131 C THR A 9 -4.537 5.870 9.083 1.00 0.00 C ATOM 132 O THR A 9 -5.265 5.014 9.585 1.00 0.00 O ATOM 133 CB THR A 9 -6.032 6.230 7.110 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.795 7.064 7.964 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.716 4.881 7.054 1.00 0.00 C ATOM 0 H THR A 9 -4.151 4.173 7.045 1.00 0.00 H new ATOM 0 HA THR A 9 -4.093 7.111 7.401 1.00 0.00 H new ATOM 0 HB THR A 9 -5.984 6.637 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.720 7.102 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.742 5.007 6.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.179 4.229 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.719 4.433 8.048 1.00 0.00 H new ATOM 143 N SER A 10 -3.677 6.596 9.792 1.00 0.00 N ATOM 144 CA SER A 10 -3.538 6.425 11.234 1.00 0.00 C ATOM 145 C SER A 10 -4.881 6.598 11.937 1.00 0.00 C ATOM 146 O SER A 10 -5.165 5.927 12.929 1.00 0.00 O ATOM 147 CB SER A 10 -2.525 7.426 11.792 1.00 0.00 C ATOM 148 OG SER A 10 -2.236 7.156 13.153 1.00 0.00 O ATOM 0 H SER A 10 -3.066 7.308 9.391 1.00 0.00 H new ATOM 0 HA SER A 10 -3.180 5.413 11.420 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.606 7.383 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.918 8.438 11.694 1.00 0.00 H new ATOM 0 HG SER A 10 -1.585 7.809 13.485 1.00 0.00 H new ATOM 154 N VAL A 11 -5.704 7.500 11.414 1.00 0.00 N ATOM 155 CA VAL A 11 -7.018 7.760 11.989 1.00 0.00 C ATOM 156 C VAL A 11 -8.116 7.090 11.170 1.00 0.00 C ATOM 157 O VAL A 11 -8.857 7.753 10.443 1.00 0.00 O ATOM 158 CB VAL A 11 -7.305 9.271 12.077 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.590 9.528 12.849 1.00 0.00 C ATOM 160 CG2 VAL A 11 -6.135 10.000 12.718 1.00 0.00 C ATOM 0 H VAL A 11 -5.484 8.063 10.593 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.012 7.342 12.996 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.434 9.656 11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.775 10.601 12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.423 9.040 12.343 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.494 9.128 13.858 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.356 11.066 12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.971 9.612 13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.238 9.845 12.119 1.00 0.00 H new ATOM 170 N THR A 12 -8.214 5.770 11.290 1.00 0.00 N ATOM 171 CA THR A 12 -9.220 5.007 10.560 1.00 0.00 C ATOM 172 C THR A 12 -10.627 5.471 10.924 1.00 0.00 C ATOM 173 O THR A 12 -10.962 5.606 12.101 1.00 0.00 O ATOM 174 CB THR A 12 -9.071 3.514 10.856 1.00 0.00 C ATOM 175 OG1 THR A 12 -8.625 3.308 12.185 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.098 2.815 9.932 1.00 0.00 C ATOM 0 H THR A 12 -7.608 5.206 11.886 1.00 0.00 H new ATOM 0 HA THR A 12 -9.066 5.177 9.494 1.00 0.00 H new ATOM 0 HB THR A 12 -10.063 3.089 10.702 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.115 3.903 12.790 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.040 1.759 10.197 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.440 2.913 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.112 3.269 10.031 1.00 0.00 H new ATOM 184 N GLY A 13 -11.446 5.712 9.905 1.00 0.00 N ATOM 185 CA GLY A 13 -12.808 6.156 10.137 1.00 0.00 C ATOM 186 C GLY A 13 -13.836 5.130 9.701 1.00 0.00 C ATOM 187 O GLY A 13 -14.938 5.075 10.246 1.00 0.00 O ATOM 0 H GLY A 13 -11.191 5.608 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.941 6.371 11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.979 7.088 9.599 1.00 0.00 H new ATOM 191 N SER A 14 -13.474 4.315 8.715 1.00 0.00 N ATOM 192 CA SER A 14 -14.373 3.286 8.205 1.00 0.00 C ATOM 193 C SER A 14 -14.210 1.986 8.986 1.00 0.00 C ATOM 194 O SER A 14 -13.457 1.924 9.958 1.00 0.00 O ATOM 195 CB SER A 14 -14.108 3.039 6.719 1.00 0.00 C ATOM 196 OG SER A 14 -14.949 3.842 5.910 1.00 0.00 O ATOM 0 H SER A 14 -12.565 4.347 8.254 1.00 0.00 H new ATOM 0 HA SER A 14 -15.397 3.638 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.064 3.256 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.272 1.987 6.487 1.00 0.00 H new ATOM 0 HG SER A 14 -14.758 3.666 4.965 1.00 0.00 H new ATOM 202 N ARG A 15 -14.921 0.949 8.554 1.00 0.00 N ATOM 203 CA ARG A 15 -14.855 -0.353 9.213 1.00 0.00 C ATOM 204 C ARG A 15 -14.188 -1.393 8.331 1.00 0.00 C ATOM 205 O ARG A 15 -13.803 -2.470 8.786 1.00 0.00 O ATOM 206 CB ARG A 15 -16.255 -0.821 9.596 1.00 0.00 C ATOM 207 CG ARG A 15 -16.265 -1.976 10.585 1.00 0.00 C ATOM 208 CD ARG A 15 -17.445 -2.903 10.346 1.00 0.00 C ATOM 209 NE ARG A 15 -17.815 -3.639 11.553 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.766 -4.570 11.591 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.443 -4.882 10.493 1.00 0.00 N ATOM 212 NH2 ARG A 15 -19.040 -5.192 12.730 1.00 0.00 N ATOM 0 H ARG A 15 -15.549 0.984 7.751 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.251 -0.237 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.804 0.017 10.025 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.787 -1.122 8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.335 -2.539 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.308 -1.586 11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.299 -2.321 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.197 -3.608 9.553 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.316 -3.427 12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.236 -4.408 9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.170 -5.596 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.522 -4.957 13.577 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.769 -5.905 12.759 1.00 0.00 H new ATOM 226 N GLU A 16 -14.056 -1.047 7.075 1.00 0.00 N ATOM 227 CA GLU A 16 -13.432 -1.918 6.087 1.00 0.00 C ATOM 228 C GLU A 16 -11.990 -1.494 5.835 1.00 0.00 C ATOM 229 O GLU A 16 -11.123 -2.325 5.565 1.00 0.00 O ATOM 230 CB GLU A 16 -14.223 -1.890 4.777 1.00 0.00 C ATOM 231 CG GLU A 16 -15.312 -2.947 4.701 1.00 0.00 C ATOM 232 CD GLU A 16 -15.730 -3.252 3.276 1.00 0.00 C ATOM 233 OE1 GLU A 16 -15.754 -2.314 2.451 1.00 0.00 O ATOM 234 OE2 GLU A 16 -16.033 -4.428 2.984 1.00 0.00 O ATOM 0 H GLU A 16 -14.376 -0.154 6.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.433 -2.936 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.675 -0.905 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.534 -2.029 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.959 -3.862 5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.181 -2.610 5.266 1.00 0.00 H new ATOM 241 N ILE A 17 -11.744 -0.191 5.928 1.00 0.00 N ATOM 242 CA ILE A 17 -10.411 0.355 5.715 1.00 0.00 C ATOM 243 C ILE A 17 -9.455 -0.092 6.817 1.00 0.00 C ATOM 244 O ILE A 17 -8.258 -0.260 6.583 1.00 0.00 O ATOM 245 CB ILE A 17 -10.443 1.895 5.663 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.430 2.370 4.595 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.052 2.451 5.391 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.517 3.876 4.477 1.00 0.00 C ATOM 0 H ILE A 17 -12.454 0.507 6.150 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.056 -0.025 4.757 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.775 2.267 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.137 1.955 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.419 1.974 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.095 3.540 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.374 2.139 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.690 2.073 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.236 4.139 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.840 4.297 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.538 4.278 4.216 1.00 0.00 H new ATOM 260 N LYS A 18 -9.991 -0.284 8.017 1.00 0.00 N ATOM 261 CA LYS A 18 -9.186 -0.712 9.155 1.00 0.00 C ATOM 262 C LYS A 18 -8.559 -2.077 8.892 1.00 0.00 C ATOM 263 O LYS A 18 -7.412 -2.327 9.264 1.00 0.00 O ATOM 264 CB LYS A 18 -10.042 -0.768 10.421 1.00 0.00 C ATOM 265 CG LYS A 18 -10.521 0.596 10.893 1.00 0.00 C ATOM 266 CD LYS A 18 -11.605 0.470 11.950 1.00 0.00 C ATOM 267 CE LYS A 18 -11.037 0.624 13.352 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.209 -0.549 13.748 1.00 0.00 N ATOM 0 H LYS A 18 -10.980 -0.150 8.227 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.387 0.016 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.908 -1.404 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.466 -1.237 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.680 1.158 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.903 1.162 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.370 1.228 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.093 -0.500 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.431 1.529 13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.854 0.748 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.038 -0.523 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.710 -1.427 13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.299 -0.518 13.245 1.00 0.00 H new ATOM 282 N SER A 19 -9.319 -2.957 8.248 1.00 0.00 N ATOM 283 CA SER A 19 -8.837 -4.297 7.935 1.00 0.00 C ATOM 284 C SER A 19 -7.941 -4.279 6.700 1.00 0.00 C ATOM 285 O SER A 19 -7.030 -5.098 6.571 1.00 0.00 O ATOM 286 CB SER A 19 -10.017 -5.245 7.708 1.00 0.00 C ATOM 287 OG SER A 19 -11.146 -4.844 8.464 1.00 0.00 O ATOM 0 H SER A 19 -10.270 -2.766 7.933 1.00 0.00 H new ATOM 0 HA SER A 19 -8.250 -4.652 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.273 -5.265 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.731 -6.260 7.986 1.00 0.00 H new ATOM 0 HG SER A 19 -11.887 -5.465 8.300 1.00 0.00 H new ATOM 293 N GLN A 20 -8.205 -3.341 5.796 1.00 0.00 N ATOM 294 CA GLN A 20 -7.422 -3.218 4.573 1.00 0.00 C ATOM 295 C GLN A 20 -5.958 -2.925 4.889 1.00 0.00 C ATOM 296 O GLN A 20 -5.055 -3.458 4.244 1.00 0.00 O ATOM 297 CB GLN A 20 -7.996 -2.111 3.685 1.00 0.00 C ATOM 298 CG GLN A 20 -8.942 -2.623 2.611 1.00 0.00 C ATOM 299 CD GLN A 20 -10.118 -3.387 3.185 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.953 -4.458 3.770 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.317 -2.838 3.022 1.00 0.00 N ATOM 0 H GLN A 20 -8.955 -2.656 5.888 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.476 -4.167 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.525 -1.392 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.174 -1.576 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.312 -1.781 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.393 -3.270 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.408 -1.949 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.146 -3.306 3.388 1.00 0.00 H new ATOM 310 N GLN A 21 -5.732 -2.073 5.883 1.00 0.00 N ATOM 311 CA GLN A 21 -4.378 -1.708 6.284 1.00 0.00 C ATOM 312 C GLN A 21 -3.774 -2.769 7.199 1.00 0.00 C ATOM 313 O GLN A 21 -2.561 -2.978 7.205 1.00 0.00 O ATOM 314 CB GLN A 21 -4.382 -0.351 6.991 1.00 0.00 C ATOM 315 CG GLN A 21 -5.363 -0.273 8.149 1.00 0.00 C ATOM 316 CD GLN A 21 -4.819 0.520 9.321 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.974 0.035 10.075 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.301 1.747 9.481 1.00 0.00 N ATOM 0 H GLN A 21 -6.469 -1.622 6.426 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.766 -1.641 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.379 -0.140 7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.625 0.426 6.267 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.290 0.185 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.609 -1.282 8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.000 2.109 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.972 2.328 10.252 1.00 0.00 H new ATOM 327 N SER A 22 -4.626 -3.433 7.971 1.00 0.00 N ATOM 328 CA SER A 22 -4.175 -4.471 8.891 1.00 0.00 C ATOM 329 C SER A 22 -3.712 -5.710 8.132 1.00 0.00 C ATOM 330 O SER A 22 -2.742 -6.362 8.521 1.00 0.00 O ATOM 331 CB SER A 22 -5.297 -4.844 9.862 1.00 0.00 C ATOM 332 OG SER A 22 -6.218 -5.737 9.259 1.00 0.00 O ATOM 0 H SER A 22 -5.633 -3.271 7.978 1.00 0.00 H new ATOM 0 HA SER A 22 -3.330 -4.077 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.872 -5.303 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.818 -3.942 10.184 1.00 0.00 H new ATOM 0 HG SER A 22 -6.391 -5.455 8.336 1.00 0.00 H new ATOM 338 N GLU A 23 -4.411 -6.031 7.048 1.00 0.00 N ATOM 339 CA GLU A 23 -4.071 -7.194 6.236 1.00 0.00 C ATOM 340 C GLU A 23 -2.724 -7.002 5.546 1.00 0.00 C ATOM 341 O GLU A 23 -1.822 -7.829 5.683 1.00 0.00 O ATOM 342 CB GLU A 23 -5.162 -7.450 5.194 1.00 0.00 C ATOM 343 CG GLU A 23 -5.607 -8.902 5.124 1.00 0.00 C ATOM 344 CD GLU A 23 -6.156 -9.407 6.444 1.00 0.00 C ATOM 345 OE1 GLU A 23 -7.312 -9.069 6.775 1.00 0.00 O ATOM 346 OE2 GLU A 23 -5.429 -10.140 7.147 1.00 0.00 O ATOM 0 H GLU A 23 -5.216 -5.502 6.712 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.999 -8.059 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.025 -6.825 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.796 -7.143 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.370 -9.008 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.763 -9.523 4.824 1.00 0.00 H new ATOM 353 N VAL A 24 -2.594 -5.907 4.804 1.00 0.00 N ATOM 354 CA VAL A 24 -1.356 -5.607 4.091 1.00 0.00 C ATOM 355 C VAL A 24 -0.167 -5.564 5.046 1.00 0.00 C ATOM 356 O VAL A 24 0.887 -6.133 4.766 1.00 0.00 O ATOM 357 CB VAL A 24 -1.449 -4.262 3.344 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.211 -4.036 2.489 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.711 -4.207 2.494 1.00 0.00 C ATOM 0 H VAL A 24 -3.330 -5.212 4.680 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.207 -6.407 3.366 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.502 -3.462 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.297 -3.081 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.674 -4.025 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.122 -4.840 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.758 -3.250 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.693 -5.016 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.586 -4.316 3.135 1.00 0.00 H new ATOM 369 N THR A 25 -0.346 -4.886 6.175 1.00 0.00 N ATOM 370 CA THR A 25 0.713 -4.770 7.171 1.00 0.00 C ATOM 371 C THR A 25 1.125 -6.143 7.692 1.00 0.00 C ATOM 372 O THR A 25 2.270 -6.346 8.096 1.00 0.00 O ATOM 373 CB THR A 25 0.253 -3.888 8.333 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.054 -4.245 8.747 1.00 0.00 O ATOM 375 CG2 THR A 25 0.241 -2.413 7.995 1.00 0.00 C ATOM 0 H THR A 25 -1.213 -4.409 6.423 1.00 0.00 H new ATOM 0 HA THR A 25 1.578 -4.309 6.693 1.00 0.00 H new ATOM 0 HB THR A 25 0.979 -4.056 9.129 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.711 -3.713 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.095 -1.844 8.862 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.246 -2.095 7.719 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.437 -2.237 7.160 1.00 0.00 H new ATOM 383 N ARG A 26 0.186 -7.083 7.682 1.00 0.00 N ATOM 384 CA ARG A 26 0.454 -8.437 8.155 1.00 0.00 C ATOM 385 C ARG A 26 1.314 -9.204 7.156 1.00 0.00 C ATOM 386 O ARG A 26 2.251 -9.905 7.538 1.00 0.00 O ATOM 387 CB ARG A 26 -0.859 -9.185 8.396 1.00 0.00 C ATOM 388 CG ARG A 26 -0.812 -10.128 9.587 1.00 0.00 C ATOM 389 CD ARG A 26 -2.067 -10.980 9.673 1.00 0.00 C ATOM 390 NE ARG A 26 -2.299 -11.479 11.026 1.00 0.00 N ATOM 391 CZ ARG A 26 -1.567 -12.430 11.601 1.00 0.00 C ATOM 392 NH1 ARG A 26 -0.557 -12.987 10.945 1.00 0.00 N ATOM 393 NH2 ARG A 26 -1.845 -12.825 12.836 1.00 0.00 N ATOM 0 H ARG A 26 -0.767 -6.933 7.352 1.00 0.00 H new ATOM 0 HA ARG A 26 1.001 -8.364 9.095 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.658 -8.460 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.112 -9.755 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.062 -10.774 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.699 -9.551 10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.927 -10.392 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.981 -11.822 8.986 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.067 -11.075 11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.338 -12.687 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.001 -13.715 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.620 -12.400 13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.284 -13.554 13.277 1.00 0.00 H new ATOM 407 N ILE A 27 0.988 -9.069 5.874 1.00 0.00 N ATOM 408 CA ILE A 27 1.732 -9.751 4.821 1.00 0.00 C ATOM 409 C ILE A 27 3.165 -9.236 4.737 1.00 0.00 C ATOM 410 O ILE A 27 4.119 -10.007 4.842 1.00 0.00 O ATOM 411 CB ILE A 27 1.054 -9.574 3.448 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.431 -9.929 3.535 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.748 -10.431 2.399 1.00 0.00 C ATOM 414 CD1 ILE A 27 -0.690 -11.326 4.055 1.00 0.00 C ATOM 0 H ILE A 27 0.214 -8.494 5.540 1.00 0.00 H new ATOM 0 HA ILE A 27 1.744 -10.810 5.079 1.00 0.00 H new ATOM 0 HB ILE A 27 1.140 -8.529 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.930 -9.210 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.878 -9.830 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.257 -10.295 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.793 -10.133 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.691 -11.480 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.764 -11.508 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.220 -12.054 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.273 -11.424 5.057 1.00 0.00 H new ATOM 426 N LEU A 28 3.308 -7.929 4.546 1.00 0.00 N ATOM 427 CA LEU A 28 4.625 -7.310 4.446 1.00 0.00 C ATOM 428 C LEU A 28 5.447 -7.564 5.706 1.00 0.00 C ATOM 429 O LEU A 28 6.621 -7.926 5.631 1.00 0.00 O ATOM 430 CB LEU A 28 4.486 -5.806 4.207 1.00 0.00 C ATOM 431 CG LEU A 28 3.844 -5.418 2.874 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.154 -4.068 2.986 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.888 -5.395 1.768 1.00 0.00 C ATOM 0 H LEU A 28 2.528 -7.278 4.457 1.00 0.00 H new ATOM 0 HA LEU A 28 5.146 -7.760 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.894 -5.378 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.475 -5.352 4.262 1.00 0.00 H new ATOM 0 HG LEU A 28 3.092 -6.166 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.703 -3.809 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.378 -4.118 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.885 -3.307 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.414 -5.117 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.662 -4.668 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.337 -6.384 1.671 1.00 0.00 H new ATOM 445 N ASP A 29 4.823 -7.370 6.863 1.00 0.00 N ATOM 446 CA ASP A 29 5.497 -7.579 8.139 1.00 0.00 C ATOM 447 C ASP A 29 5.930 -9.033 8.294 1.00 0.00 C ATOM 448 O ASP A 29 7.076 -9.317 8.643 1.00 0.00 O ATOM 449 CB ASP A 29 4.580 -7.182 9.298 1.00 0.00 C ATOM 450 CG ASP A 29 5.275 -7.274 10.642 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.824 -8.351 10.954 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.270 -6.268 11.383 1.00 0.00 O ATOM 0 H ASP A 29 3.852 -7.068 6.943 1.00 0.00 H new ATOM 0 HA ASP A 29 6.386 -6.949 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.225 -6.163 9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.702 -7.828 9.301 1.00 0.00 H new ATOM 457 N GLY A 30 5.006 -9.952 8.029 1.00 0.00 N ATOM 458 CA GLY A 30 5.313 -11.366 8.142 1.00 0.00 C ATOM 459 C GLY A 30 6.473 -11.777 7.258 1.00 0.00 C ATOM 460 O GLY A 30 7.199 -12.721 7.572 1.00 0.00 O ATOM 0 H GLY A 30 4.051 -9.743 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.549 -11.602 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.432 -11.949 7.875 1.00 0.00 H new ATOM 464 N LYS A 31 6.649 -11.066 6.149 1.00 0.00 N ATOM 465 CA LYS A 31 7.730 -11.358 5.215 1.00 0.00 C ATOM 466 C LYS A 31 9.037 -10.698 5.655 1.00 0.00 C ATOM 467 O LYS A 31 10.093 -10.949 5.075 1.00 0.00 O ATOM 468 CB LYS A 31 7.356 -10.886 3.809 1.00 0.00 C ATOM 469 CG LYS A 31 6.489 -11.875 3.046 1.00 0.00 C ATOM 470 CD LYS A 31 5.348 -11.177 2.323 1.00 0.00 C ATOM 471 CE LYS A 31 5.719 -10.848 0.886 1.00 0.00 C ATOM 472 NZ LYS A 31 4.831 -9.801 0.310 1.00 0.00 N ATOM 0 H LYS A 31 6.056 -10.283 5.875 1.00 0.00 H new ATOM 0 HA LYS A 31 7.880 -12.438 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.829 -9.935 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.268 -10.702 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.101 -12.415 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.084 -12.614 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.464 -11.814 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.087 -10.260 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.754 -10.508 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.657 -11.751 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.409 -9.081 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.181 -10.236 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.282 -9.354 1.072 1.00 0.00 H new ATOM 486 N ARG A 32 8.962 -9.854 6.683 1.00 0.00 N ATOM 487 CA ARG A 32 10.141 -9.165 7.192 1.00 0.00 C ATOM 488 C ARG A 32 10.749 -8.264 6.122 1.00 0.00 C ATOM 489 O ARG A 32 11.964 -8.252 5.921 1.00 0.00 O ATOM 490 CB ARG A 32 11.180 -10.178 7.679 1.00 0.00 C ATOM 491 CG ARG A 32 10.977 -10.610 9.122 1.00 0.00 C ATOM 492 CD ARG A 32 11.140 -12.113 9.284 1.00 0.00 C ATOM 493 NE ARG A 32 11.834 -12.458 10.523 1.00 0.00 N ATOM 494 CZ ARG A 32 12.250 -13.686 10.822 1.00 0.00 C ATOM 495 NH1 ARG A 32 12.042 -14.689 9.978 1.00 0.00 N ATOM 496 NH2 ARG A 32 12.875 -13.913 11.969 1.00 0.00 N ATOM 0 H ARG A 32 8.098 -9.633 7.177 1.00 0.00 H new ATOM 0 HA ARG A 32 9.833 -8.542 8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.146 -11.058 7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.175 -9.745 7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.694 -10.095 9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.982 -10.313 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.159 -12.587 9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.695 -12.511 8.435 1.00 0.00 H new ATOM 0 HE ARG A 32 12.010 -11.714 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.561 -14.521 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.363 -15.628 10.213 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.037 -13.146 12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.194 -14.854 12.198 1.00 0.00 H new ATOM 510 N ILE A 33 9.896 -7.508 5.439 1.00 0.00 N ATOM 511 CA ILE A 33 10.345 -6.603 4.393 1.00 0.00 C ATOM 512 C ILE A 33 10.686 -5.234 4.965 1.00 0.00 C ATOM 513 O ILE A 33 10.228 -4.866 6.047 1.00 0.00 O ATOM 514 CB ILE A 33 9.277 -6.435 3.295 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.796 -7.801 2.805 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.829 -5.616 2.137 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.752 -7.716 1.712 1.00 0.00 C ATOM 0 H ILE A 33 8.888 -7.506 5.593 1.00 0.00 H new ATOM 0 HA ILE A 33 11.239 -7.046 3.954 1.00 0.00 H new ATOM 0 HB ILE A 33 8.426 -5.902 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.651 -8.368 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.384 -8.356 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.062 -5.507 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.125 -4.631 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.696 -6.123 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.456 -8.721 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.880 -7.177 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.167 -7.189 0.853 1.00 0.00 H new ATOM 529 N GLN A 34 11.488 -4.485 4.224 1.00 0.00 N ATOM 530 CA GLN A 34 11.896 -3.148 4.642 1.00 0.00 C ATOM 531 C GLN A 34 11.039 -2.089 3.955 1.00 0.00 C ATOM 532 O GLN A 34 11.556 -1.175 3.312 1.00 0.00 O ATOM 533 CB GLN A 34 13.374 -2.918 4.321 1.00 0.00 C ATOM 534 CG GLN A 34 14.308 -3.887 5.028 1.00 0.00 C ATOM 535 CD GLN A 34 14.823 -3.342 6.346 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.978 -2.928 6.451 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.967 -3.341 7.361 1.00 0.00 N ATOM 0 H GLN A 34 11.872 -4.780 3.326 1.00 0.00 H new ATOM 0 HA GLN A 34 11.754 -3.066 5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.521 -3.005 3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.643 -1.899 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.784 -4.826 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.153 -4.112 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.019 -3.694 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.257 -2.988 8.273 1.00 0.00 H new ATOM 546 N TYR A 35 9.725 -2.225 4.093 1.00 0.00 N ATOM 547 CA TYR A 35 8.789 -1.288 3.482 1.00 0.00 C ATOM 548 C TYR A 35 8.524 -0.096 4.397 1.00 0.00 C ATOM 549 O TYR A 35 8.729 -0.169 5.609 1.00 0.00 O ATOM 550 CB TYR A 35 7.472 -1.996 3.153 1.00 0.00 C ATOM 551 CG TYR A 35 6.691 -2.432 4.374 1.00 0.00 C ATOM 552 CD1 TYR A 35 7.015 -3.602 5.049 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.631 -1.672 4.850 1.00 0.00 C ATOM 554 CE1 TYR A 35 6.304 -4.002 6.165 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.915 -2.064 5.965 1.00 0.00 C ATOM 556 CZ TYR A 35 5.255 -3.230 6.618 1.00 0.00 C ATOM 557 OH TYR A 35 4.545 -3.624 7.729 1.00 0.00 O ATOM 0 H TYR A 35 9.283 -2.976 4.623 1.00 0.00 H new ATOM 0 HA TYR A 35 9.238 -0.917 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.851 -1.329 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.684 -2.870 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.836 -4.209 4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.361 -0.759 4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.569 -4.914 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.094 -1.461 6.323 1.00 0.00 H new ATOM 0 HH TYR A 35 3.840 -2.969 7.916 1.00 0.00 H new ATOM 567 N GLN A 36 8.060 0.999 3.804 1.00 0.00 N ATOM 568 CA GLN A 36 7.757 2.212 4.555 1.00 0.00 C ATOM 569 C GLN A 36 6.256 2.329 4.800 1.00 0.00 C ATOM 570 O GLN A 36 5.483 1.467 4.380 1.00 0.00 O ATOM 571 CB GLN A 36 8.263 3.443 3.799 1.00 0.00 C ATOM 572 CG GLN A 36 8.992 4.442 4.682 1.00 0.00 C ATOM 573 CD GLN A 36 10.473 4.139 4.806 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.868 2.994 5.021 1.00 0.00 O ATOM 575 NE2 GLN A 36 11.300 5.169 4.671 1.00 0.00 N ATOM 0 H GLN A 36 7.885 1.071 2.802 1.00 0.00 H new ATOM 0 HA GLN A 36 8.263 2.156 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.932 3.120 3.002 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.417 3.940 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.863 5.444 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.541 4.442 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.928 6.102 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.307 5.027 4.745 1.00 0.00 H new ATOM 584 N LEU A 37 5.844 3.397 5.475 1.00 0.00 N ATOM 585 CA LEU A 37 4.440 3.618 5.763 1.00 0.00 C ATOM 586 C LEU A 37 4.112 5.092 5.651 1.00 0.00 C ATOM 587 O LEU A 37 4.093 5.817 6.645 1.00 0.00 O ATOM 588 CB LEU A 37 4.099 3.108 7.157 1.00 0.00 C ATOM 589 CG LEU A 37 2.623 2.783 7.388 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.427 2.130 8.748 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.777 4.042 7.272 1.00 0.00 C ATOM 0 H LEU A 37 6.467 4.122 5.831 1.00 0.00 H new ATOM 0 HA LEU A 37 3.843 3.068 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.687 2.211 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.408 3.857 7.886 1.00 0.00 H new ATOM 0 HG LEU A 37 2.300 2.080 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.371 1.906 8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.004 1.206 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.766 2.809 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.729 3.793 7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.101 4.768 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.894 4.469 6.276 1.00 0.00 H new ATOM 603 N VAL A 38 3.858 5.528 4.431 1.00 0.00 N ATOM 604 CA VAL A 38 3.533 6.922 4.185 1.00 0.00 C ATOM 605 C VAL A 38 2.081 7.190 4.538 1.00 0.00 C ATOM 606 O VAL A 38 1.211 7.250 3.670 1.00 0.00 O ATOM 607 CB VAL A 38 3.785 7.322 2.717 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.272 7.514 2.465 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.204 6.284 1.768 1.00 0.00 C ATOM 0 H VAL A 38 3.870 4.940 3.598 1.00 0.00 H new ATOM 0 HA VAL A 38 4.187 7.524 4.817 1.00 0.00 H new ATOM 0 HB VAL A 38 3.282 8.270 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.431 7.796 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.653 8.301 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.800 6.583 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.393 6.586 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.673 5.318 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.129 6.203 1.931 1.00 0.00 H new ATOM 619 N ASP A 39 1.833 7.345 5.830 1.00 0.00 N ATOM 620 CA ASP A 39 0.486 7.600 6.326 1.00 0.00 C ATOM 621 C ASP A 39 0.104 9.063 6.131 1.00 0.00 C ATOM 622 O ASP A 39 0.703 9.959 6.725 1.00 0.00 O ATOM 623 CB ASP A 39 0.386 7.229 7.806 1.00 0.00 C ATOM 624 CG ASP A 39 -0.983 6.694 8.177 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.974 7.439 8.021 1.00 0.00 O ATOM 626 OD2 ASP A 39 -1.065 5.530 8.623 1.00 0.00 O ATOM 0 H ASP A 39 2.548 7.299 6.556 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.207 6.982 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.142 6.480 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.607 8.107 8.413 1.00 0.00 H new ATOM 631 N ILE A 40 -0.895 9.293 5.284 1.00 0.00 N ATOM 632 CA ILE A 40 -1.362 10.642 4.994 1.00 0.00 C ATOM 633 C ILE A 40 -2.136 11.233 6.169 1.00 0.00 C ATOM 634 O ILE A 40 -2.259 12.452 6.290 1.00 0.00 O ATOM 635 CB ILE A 40 -2.255 10.666 3.738 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.484 9.777 3.938 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.465 10.215 2.517 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.504 9.902 2.828 1.00 0.00 C ATOM 0 H ILE A 40 -1.397 8.559 4.785 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.474 11.249 4.815 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.593 11.689 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.163 8.738 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.957 10.032 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.109 10.237 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.619 10.885 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.101 9.200 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.349 9.245 3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.853 10.933 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.047 9.619 1.880 1.00 0.00 H new ATOM 650 N SER A 41 -2.656 10.367 7.033 1.00 0.00 N ATOM 651 CA SER A 41 -3.415 10.813 8.197 1.00 0.00 C ATOM 652 C SER A 41 -2.577 11.747 9.064 1.00 0.00 C ATOM 653 O SER A 41 -3.111 12.614 9.757 1.00 0.00 O ATOM 654 CB SER A 41 -3.881 9.612 9.022 1.00 0.00 C ATOM 655 OG SER A 41 -4.935 9.973 9.898 1.00 0.00 O ATOM 0 H SER A 41 -2.566 9.354 6.950 1.00 0.00 H new ATOM 0 HA SER A 41 -4.289 11.360 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.214 8.816 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.045 9.216 9.598 1.00 0.00 H new ATOM 0 HG SER A 41 -5.792 9.699 9.509 1.00 0.00 H new ATOM 661 N GLN A 42 -1.262 11.564 9.018 1.00 0.00 N ATOM 662 CA GLN A 42 -0.347 12.390 9.796 1.00 0.00 C ATOM 663 C GLN A 42 -0.431 13.849 9.363 1.00 0.00 C ATOM 664 O GLN A 42 -0.898 14.705 10.114 1.00 0.00 O ATOM 665 CB GLN A 42 1.087 11.881 9.636 1.00 0.00 C ATOM 666 CG GLN A 42 2.090 12.595 10.527 1.00 0.00 C ATOM 667 CD GLN A 42 3.264 11.715 10.905 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.334 11.196 12.019 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.197 11.541 9.975 1.00 0.00 N ATOM 0 H GLN A 42 -0.806 10.850 8.450 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.636 12.324 10.845 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.112 10.814 9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.391 11.997 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.457 13.484 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.588 12.934 11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.099 11.990 9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.011 10.958 10.172 1.00 0.00 H new ATOM 678 N ASP A 43 0.024 14.125 8.145 1.00 0.00 N ATOM 679 CA ASP A 43 0.000 15.480 7.608 1.00 0.00 C ATOM 680 C ASP A 43 -1.130 15.644 6.597 1.00 0.00 C ATOM 681 O ASP A 43 -1.341 14.784 5.741 1.00 0.00 O ATOM 682 CB ASP A 43 1.341 15.815 6.952 1.00 0.00 C ATOM 683 CG ASP A 43 2.316 16.454 7.921 1.00 0.00 C ATOM 684 OD1 ASP A 43 2.252 16.132 9.126 1.00 0.00 O ATOM 685 OD2 ASP A 43 3.143 17.277 7.475 1.00 0.00 O ATOM 0 H ASP A 43 0.414 13.427 7.511 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.174 16.169 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.781 14.904 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.173 16.490 6.112 1.00 0.00 H new ATOM 690 N ASN A 44 -1.853 16.754 6.701 1.00 0.00 N ATOM 691 CA ASN A 44 -2.962 17.032 5.796 1.00 0.00 C ATOM 692 C ASN A 44 -2.473 17.222 4.362 1.00 0.00 C ATOM 693 O ASN A 44 -3.252 17.123 3.414 1.00 0.00 O ATOM 694 CB ASN A 44 -3.720 18.278 6.256 1.00 0.00 C ATOM 695 CG ASN A 44 -5.160 18.288 5.780 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.836 17.260 5.790 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.636 19.454 5.360 1.00 0.00 N ATOM 0 H ASN A 44 -1.691 17.476 7.403 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.633 16.173 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.700 18.331 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.211 19.167 5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.598 19.522 5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.040 20.281 5.369 1.00 0.00 H new ATOM 704 N ALA A 45 -1.181 17.498 4.207 1.00 0.00 N ATOM 705 CA ALA A 45 -0.598 17.702 2.886 1.00 0.00 C ATOM 706 C ALA A 45 -0.460 16.384 2.136 1.00 0.00 C ATOM 707 O ALA A 45 -0.673 16.324 0.925 1.00 0.00 O ATOM 708 CB ALA A 45 0.753 18.390 3.004 1.00 0.00 C ATOM 0 H ALA A 45 -0.520 17.585 4.979 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.270 18.344 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.175 18.535 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.627 19.358 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.426 17.771 3.597 1.00 0.00 H new ATOM 714 N LEU A 46 -0.108 15.330 2.861 1.00 0.00 N ATOM 715 CA LEU A 46 0.052 14.012 2.259 1.00 0.00 C ATOM 716 C LEU A 46 -1.239 13.576 1.576 1.00 0.00 C ATOM 717 O LEU A 46 -1.214 12.854 0.579 1.00 0.00 O ATOM 718 CB LEU A 46 0.459 12.989 3.321 1.00 0.00 C ATOM 719 CG LEU A 46 1.950 12.966 3.660 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.158 12.651 5.134 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.678 11.953 2.789 1.00 0.00 C ATOM 0 H LEU A 46 0.072 15.361 3.865 1.00 0.00 H new ATOM 0 HA LEU A 46 0.839 14.070 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.102 13.192 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.164 11.997 2.980 1.00 0.00 H new ATOM 0 HG LEU A 46 2.364 13.954 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.225 12.639 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.669 13.413 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.729 11.675 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.738 11.950 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.261 10.960 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.558 12.222 1.740 1.00 0.00 H new ATOM 733 N ARG A 47 -2.366 14.029 2.116 1.00 0.00 N ATOM 734 CA ARG A 47 -3.669 13.695 1.556 1.00 0.00 C ATOM 735 C ARG A 47 -3.839 14.327 0.179 1.00 0.00 C ATOM 736 O ARG A 47 -4.262 13.667 -0.770 1.00 0.00 O ATOM 737 CB ARG A 47 -4.786 14.165 2.490 1.00 0.00 C ATOM 738 CG ARG A 47 -4.884 13.361 3.775 1.00 0.00 C ATOM 739 CD ARG A 47 -5.914 13.951 4.725 1.00 0.00 C ATOM 740 NE ARG A 47 -7.279 13.747 4.246 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.364 13.944 4.993 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.247 14.349 6.251 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.568 13.734 4.480 1.00 0.00 N ATOM 0 H ARG A 47 -2.402 14.628 2.941 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.729 12.612 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.623 15.213 2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.738 14.107 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.152 12.331 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.910 13.334 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.803 13.495 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.727 15.018 4.845 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.409 13.436 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.323 14.511 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.081 14.498 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.663 13.422 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.399 13.885 5.052 1.00 0.00 H new ATOM 757 N ASP A 48 -3.500 15.610 0.076 1.00 0.00 N ATOM 758 CA ASP A 48 -3.613 16.326 -1.191 1.00 0.00 C ATOM 759 C ASP A 48 -2.381 16.116 -2.060 1.00 0.00 C ATOM 760 O ASP A 48 -2.292 16.632 -3.174 1.00 0.00 O ATOM 761 CB ASP A 48 -3.842 17.818 -0.948 1.00 0.00 C ATOM 762 CG ASP A 48 -4.855 18.412 -1.907 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.707 17.653 -2.415 1.00 0.00 O ATOM 764 OD2 ASP A 48 -4.796 19.636 -2.150 1.00 0.00 O ATOM 0 H ASP A 48 -3.147 16.172 0.850 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.473 15.920 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.184 17.968 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.896 18.349 -1.049 1.00 0.00 H new ATOM 769 N GLU A 49 -1.446 15.342 -1.543 1.00 0.00 N ATOM 770 CA GLU A 49 -0.215 15.033 -2.260 1.00 0.00 C ATOM 771 C GLU A 49 -0.304 13.649 -2.896 1.00 0.00 C ATOM 772 O GLU A 49 0.308 13.388 -3.931 1.00 0.00 O ATOM 773 CB GLU A 49 0.988 15.099 -1.315 1.00 0.00 C ATOM 774 CG GLU A 49 1.801 16.375 -1.456 1.00 0.00 C ATOM 775 CD GLU A 49 1.268 17.506 -0.597 1.00 0.00 C ATOM 776 OE1 GLU A 49 0.375 18.239 -1.070 1.00 0.00 O ATOM 777 OE2 GLU A 49 1.744 17.657 0.547 1.00 0.00 O ATOM 0 H GLU A 49 -1.513 14.910 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.082 15.775 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.637 15.013 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.635 14.243 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.837 16.173 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.802 16.687 -2.500 1.00 0.00 H new ATOM 784 N MET A 50 -1.076 12.768 -2.266 1.00 0.00 N ATOM 785 CA MET A 50 -1.255 11.410 -2.762 1.00 0.00 C ATOM 786 C MET A 50 -2.362 11.357 -3.809 1.00 0.00 C ATOM 787 O MET A 50 -2.251 10.649 -4.810 1.00 0.00 O ATOM 788 CB MET A 50 -1.585 10.464 -1.605 1.00 0.00 C ATOM 789 CG MET A 50 -1.336 8.999 -1.925 1.00 0.00 C ATOM 790 SD MET A 50 -2.715 8.235 -2.800 1.00 0.00 S ATOM 791 CE MET A 50 -3.835 7.905 -1.442 1.00 0.00 C ATOM 0 H MET A 50 -1.589 12.973 -1.408 1.00 0.00 H new ATOM 0 HA MET A 50 -0.323 11.092 -3.229 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.988 10.744 -0.737 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.631 10.594 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.434 8.912 -2.530 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.152 8.455 -0.999 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.708 7.367 -1.813 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.328 7.299 -0.691 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.152 8.847 -0.995 1.00 0.00 H new ATOM 801 N ARG A 51 -3.431 12.110 -3.570 1.00 0.00 N ATOM 802 CA ARG A 51 -4.561 12.149 -4.491 1.00 0.00 C ATOM 803 C ARG A 51 -4.124 12.632 -5.872 1.00 0.00 C ATOM 804 O ARG A 51 -4.714 12.258 -6.885 1.00 0.00 O ATOM 805 CB ARG A 51 -5.661 13.061 -3.942 1.00 0.00 C ATOM 806 CG ARG A 51 -6.749 12.314 -3.187 1.00 0.00 C ATOM 807 CD ARG A 51 -6.238 11.779 -1.859 1.00 0.00 C ATOM 808 NE ARG A 51 -7.101 10.727 -1.325 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.250 10.960 -0.695 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.676 12.204 -0.516 1.00 0.00 N ATOM 811 NH2 ARG A 51 -8.974 9.946 -0.241 1.00 0.00 N ATOM 0 H ARG A 51 -3.538 12.702 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.953 11.137 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.212 13.800 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.114 13.608 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.594 12.980 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.115 11.488 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.229 11.389 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.174 12.595 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.805 9.758 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.122 12.988 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.557 12.377 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.650 8.988 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.855 10.124 0.242 1.00 0.00 H new ATOM 825 N ALA A 52 -3.089 13.466 -5.904 1.00 0.00 N ATOM 826 CA ALA A 52 -2.577 13.999 -7.161 1.00 0.00 C ATOM 827 C ALA A 52 -1.574 13.043 -7.798 1.00 0.00 C ATOM 828 O ALA A 52 -1.739 12.631 -8.946 1.00 0.00 O ATOM 829 CB ALA A 52 -1.939 15.361 -6.934 1.00 0.00 C ATOM 0 H ALA A 52 -2.589 13.787 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.416 14.111 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.561 15.748 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.683 16.049 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.115 15.264 -6.227 1.00 0.00 H new ATOM 835 N LEU A 53 -0.535 12.695 -7.046 1.00 0.00 N ATOM 836 CA LEU A 53 0.496 11.787 -7.539 1.00 0.00 C ATOM 837 C LEU A 53 -0.106 10.445 -7.945 1.00 0.00 C ATOM 838 O LEU A 53 0.401 9.771 -8.841 1.00 0.00 O ATOM 839 CB LEU A 53 1.570 11.573 -6.470 1.00 0.00 C ATOM 840 CG LEU A 53 2.301 12.840 -6.024 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.863 12.666 -4.622 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.410 13.188 -7.006 1.00 0.00 C ATOM 0 H LEU A 53 -0.384 13.027 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 53 0.952 12.241 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.106 11.113 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.304 10.863 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 53 1.586 13.663 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.380 13.577 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.049 12.464 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.564 11.831 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.920 14.092 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.124 12.366 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.982 13.356 -7.994 1.00 0.00 H new ATOM 854 N ALA A 54 -1.190 10.063 -7.277 1.00 0.00 N ATOM 855 CA ALA A 54 -1.861 8.801 -7.567 1.00 0.00 C ATOM 856 C ALA A 54 -2.730 8.900 -8.819 1.00 0.00 C ATOM 857 O ALA A 54 -3.214 7.888 -9.327 1.00 0.00 O ATOM 858 CB ALA A 54 -2.701 8.369 -6.375 1.00 0.00 C ATOM 0 H ALA A 54 -1.622 10.609 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.093 8.051 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.198 7.426 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.058 8.240 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.450 9.131 -6.163 1.00 0.00 H new ATOM 864 N GLY A 55 -2.930 10.119 -9.313 1.00 0.00 N ATOM 865 CA GLY A 55 -3.745 10.310 -10.498 1.00 0.00 C ATOM 866 C GLY A 55 -5.164 9.814 -10.303 1.00 0.00 C ATOM 867 O GLY A 55 -5.712 9.121 -11.161 1.00 0.00 O ATOM 0 H GLY A 55 -2.543 10.975 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.764 11.369 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.291 9.785 -11.338 1.00 0.00 H new ATOM 871 N ASN A 56 -5.758 10.169 -9.169 1.00 0.00 N ATOM 872 CA ASN A 56 -7.120 9.759 -8.850 1.00 0.00 C ATOM 873 C ASN A 56 -7.503 10.234 -7.468 1.00 0.00 C ATOM 874 O ASN A 56 -6.927 9.811 -6.465 1.00 0.00 O ATOM 875 CB ASN A 56 -7.281 8.239 -8.948 1.00 0.00 C ATOM 876 CG ASN A 56 -6.048 7.487 -8.484 1.00 0.00 C ATOM 877 OD1 ASN A 56 -5.427 6.755 -9.255 1.00 0.00 O ATOM 878 ND2 ASN A 56 -5.688 7.663 -7.218 1.00 0.00 N ATOM 0 H ASN A 56 -5.314 10.743 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.786 10.218 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.137 7.929 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.500 7.967 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.867 7.182 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.232 8.279 -6.614 1.00 0.00 H new ATOM 885 N PRO A 57 -8.482 11.138 -7.403 1.00 0.00 N ATOM 886 CA PRO A 57 -8.956 11.702 -6.158 1.00 0.00 C ATOM 887 C PRO A 57 -10.039 10.850 -5.502 1.00 0.00 C ATOM 888 O PRO A 57 -10.861 11.352 -4.736 1.00 0.00 O ATOM 889 CB PRO A 57 -9.516 13.061 -6.589 1.00 0.00 C ATOM 890 CG PRO A 57 -9.453 13.108 -8.083 1.00 0.00 C ATOM 891 CD PRO A 57 -9.207 11.708 -8.541 1.00 0.00 C ATOM 0 HA PRO A 57 -8.168 11.766 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.542 13.182 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.934 13.873 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.384 13.494 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.655 13.771 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.136 11.175 -8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.618 11.676 -9.457 1.00 0.00 H new ATOM 899 N LYS A 58 -10.026 9.558 -5.803 1.00 0.00 N ATOM 900 CA LYS A 58 -10.996 8.626 -5.241 1.00 0.00 C ATOM 901 C LYS A 58 -10.298 7.401 -4.649 1.00 0.00 C ATOM 902 O LYS A 58 -10.954 6.471 -4.179 1.00 0.00 O ATOM 903 CB LYS A 58 -11.995 8.189 -6.314 1.00 0.00 C ATOM 904 CG LYS A 58 -13.238 9.063 -6.379 1.00 0.00 C ATOM 905 CD LYS A 58 -14.438 8.287 -6.898 1.00 0.00 C ATOM 906 CE LYS A 58 -14.658 8.526 -8.383 1.00 0.00 C ATOM 907 NZ LYS A 58 -15.753 9.504 -8.632 1.00 0.00 N ATOM 0 H LYS A 58 -9.351 9.130 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.532 9.137 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.501 8.201 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.295 7.159 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.459 9.457 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.049 9.919 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.289 7.222 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.330 8.582 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.735 8.892 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.897 7.581 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.871 9.639 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.640 9.143 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.514 10.414 -8.188 1.00 0.00 H new ATOM 921 N ALA A 59 -8.965 7.405 -4.674 1.00 0.00 N ATOM 922 CA ALA A 59 -8.185 6.295 -4.139 1.00 0.00 C ATOM 923 C ALA A 59 -8.501 6.059 -2.664 1.00 0.00 C ATOM 924 O ALA A 59 -9.520 6.526 -2.155 1.00 0.00 O ATOM 925 CB ALA A 59 -6.698 6.561 -4.334 1.00 0.00 C ATOM 0 H ALA A 59 -8.405 8.166 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.456 5.391 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.123 5.727 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.484 6.669 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.421 7.477 -3.813 1.00 0.00 H new ATOM 931 N THR A 60 -7.621 5.330 -1.982 1.00 0.00 N ATOM 932 CA THR A 60 -7.808 5.032 -0.568 1.00 0.00 C ATOM 933 C THR A 60 -6.463 4.967 0.154 1.00 0.00 C ATOM 934 O THR A 60 -5.415 4.859 -0.481 1.00 0.00 O ATOM 935 CB THR A 60 -8.557 3.708 -0.403 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.211 2.804 -1.437 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.062 3.868 -0.419 1.00 0.00 C ATOM 0 H THR A 60 -6.772 4.936 -2.387 1.00 0.00 H new ATOM 0 HA THR A 60 -8.399 5.833 -0.124 1.00 0.00 H new ATOM 0 HB THR A 60 -8.257 3.325 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.699 1.963 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.533 2.892 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.367 4.522 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.371 4.305 -1.369 1.00 0.00 H new ATOM 945 N PRO A 61 -6.477 5.039 1.498 1.00 0.00 N ATOM 946 CA PRO A 61 -5.262 4.995 2.312 1.00 0.00 C ATOM 947 C PRO A 61 -4.253 3.952 1.824 1.00 0.00 C ATOM 948 O PRO A 61 -3.111 4.289 1.512 1.00 0.00 O ATOM 949 CB PRO A 61 -5.773 4.639 3.720 1.00 0.00 C ATOM 950 CG PRO A 61 -7.261 4.493 3.607 1.00 0.00 C ATOM 951 CD PRO A 61 -7.671 5.176 2.334 1.00 0.00 C ATOM 0 HA PRO A 61 -4.722 5.941 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.318 3.715 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.513 5.418 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.546 3.441 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.760 4.944 4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.540 4.700 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.931 6.221 2.501 1.00 0.00 H new ATOM 959 N PRO A 62 -4.654 2.669 1.751 1.00 0.00 N ATOM 960 CA PRO A 62 -3.764 1.592 1.301 1.00 0.00 C ATOM 961 C PRO A 62 -3.362 1.738 -0.164 1.00 0.00 C ATOM 962 O PRO A 62 -4.134 1.415 -1.066 1.00 0.00 O ATOM 963 CB PRO A 62 -4.598 0.323 1.501 1.00 0.00 C ATOM 964 CG PRO A 62 -6.012 0.790 1.499 1.00 0.00 C ATOM 965 CD PRO A 62 -5.993 2.164 2.105 1.00 0.00 C ATOM 0 HA PRO A 62 -2.825 1.591 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.419 -0.398 0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.346 -0.171 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.413 0.816 0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.646 0.117 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.782 2.795 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.138 2.130 3.185 1.00 0.00 H new ATOM 973 N GLN A 63 -2.144 2.223 -0.391 1.00 0.00 N ATOM 974 CA GLN A 63 -1.630 2.410 -1.744 1.00 0.00 C ATOM 975 C GLN A 63 -0.136 2.109 -1.796 1.00 0.00 C ATOM 976 O GLN A 63 0.680 2.874 -1.281 1.00 0.00 O ATOM 977 CB GLN A 63 -1.889 3.840 -2.223 1.00 0.00 C ATOM 978 CG GLN A 63 -3.363 4.170 -2.391 1.00 0.00 C ATOM 979 CD GLN A 63 -3.903 3.751 -3.743 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.220 3.867 -4.760 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.137 3.261 -3.761 1.00 0.00 N ATOM 0 H GLN A 63 -1.494 2.494 0.347 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.152 1.717 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.448 4.538 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.381 3.993 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.934 3.674 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.508 5.243 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.667 3.183 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.555 2.963 -4.643 1.00 0.00 H new ATOM 990 N ILE A 64 0.217 0.988 -2.416 1.00 0.00 N ATOM 991 CA ILE A 64 1.613 0.585 -2.529 1.00 0.00 C ATOM 992 C ILE A 64 2.316 1.336 -3.654 1.00 0.00 C ATOM 993 O ILE A 64 1.870 1.319 -4.802 1.00 0.00 O ATOM 994 CB ILE A 64 1.742 -0.929 -2.779 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.897 -1.708 -1.770 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.200 -1.358 -2.701 1.00 0.00 C ATOM 997 CD1 ILE A 64 0.790 -3.184 -2.083 1.00 0.00 C ATOM 0 H ILE A 64 -0.445 0.343 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 64 2.089 0.832 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 64 1.373 -1.149 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.328 -1.586 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.104 -1.278 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.274 -2.431 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.777 -0.824 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.595 -1.127 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.177 -3.673 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.331 -3.316 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.785 -3.628 -2.086 1.00 0.00 H new ATOM 1009 N VAL A 65 3.420 1.993 -3.316 1.00 0.00 N ATOM 1010 CA VAL A 65 4.191 2.751 -4.293 1.00 0.00 C ATOM 1011 C VAL A 65 5.662 2.348 -4.255 1.00 0.00 C ATOM 1012 O VAL A 65 6.244 2.186 -3.183 1.00 0.00 O ATOM 1013 CB VAL A 65 4.075 4.268 -4.045 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.822 5.053 -5.113 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.614 4.687 -3.990 1.00 0.00 C ATOM 0 H VAL A 65 3.801 2.015 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 65 3.778 2.522 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 65 4.534 4.492 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.724 6.120 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.876 4.776 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.401 4.826 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.550 5.761 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.130 4.445 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.114 4.156 -3.180 1.00 0.00 H new ATOM 1025 N ASN A 66 6.255 2.187 -5.432 1.00 0.00 N ATOM 1026 CA ASN A 66 7.657 1.803 -5.536 1.00 0.00 C ATOM 1027 C ASN A 66 8.552 3.037 -5.614 1.00 0.00 C ATOM 1028 O ASN A 66 9.192 3.291 -6.635 1.00 0.00 O ATOM 1029 CB ASN A 66 7.875 0.915 -6.763 1.00 0.00 C ATOM 1030 CG ASN A 66 8.871 -0.198 -6.503 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.645 -1.349 -6.876 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.982 0.140 -5.858 1.00 0.00 N ATOM 0 H ASN A 66 5.786 2.317 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 66 7.924 1.240 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.922 0.482 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.227 1.527 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.688 -0.567 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.129 1.106 -5.567 1.00 0.00 H new ATOM 1039 N GLY A 67 8.590 3.801 -4.528 1.00 0.00 N ATOM 1040 CA GLY A 67 9.406 5.000 -4.494 1.00 0.00 C ATOM 1041 C GLY A 67 8.634 6.237 -4.907 1.00 0.00 C ATOM 1042 O GLY A 67 8.476 7.170 -4.120 1.00 0.00 O ATOM 0 H GLY A 67 8.070 3.611 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.799 5.140 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.263 4.872 -5.156 1.00 0.00 H new ATOM 1046 N ASP A 68 8.151 6.243 -6.144 1.00 0.00 N ATOM 1047 CA ASP A 68 7.390 7.374 -6.661 1.00 0.00 C ATOM 1048 C ASP A 68 6.574 6.970 -7.885 1.00 0.00 C ATOM 1049 O ASP A 68 6.298 7.794 -8.757 1.00 0.00 O ATOM 1050 CB ASP A 68 8.329 8.527 -7.018 1.00 0.00 C ATOM 1051 CG ASP A 68 7.723 9.883 -6.714 1.00 0.00 C ATOM 1052 OD1 ASP A 68 6.641 10.185 -7.259 1.00 0.00 O ATOM 1053 OD2 ASP A 68 8.331 10.643 -5.930 1.00 0.00 O ATOM 0 H ASP A 68 8.273 5.478 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 68 6.702 7.702 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.262 8.417 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.579 8.473 -8.078 1.00 0.00 H new ATOM 1058 N GLN A 69 6.192 5.698 -7.946 1.00 0.00 N ATOM 1059 CA GLN A 69 5.411 5.188 -9.060 1.00 0.00 C ATOM 1060 C GLN A 69 4.140 4.517 -8.557 1.00 0.00 C ATOM 1061 O GLN A 69 4.121 3.942 -7.469 1.00 0.00 O ATOM 1062 CB GLN A 69 6.238 4.192 -9.879 1.00 0.00 C ATOM 1063 CG GLN A 69 7.357 3.521 -9.095 1.00 0.00 C ATOM 1064 CD GLN A 69 8.645 4.321 -9.116 1.00 0.00 C ATOM 1065 OE1 GLN A 69 8.729 5.399 -8.528 1.00 0.00 O ATOM 1066 NE2 GLN A 69 9.657 3.795 -9.797 1.00 0.00 N ATOM 0 H GLN A 69 6.413 5.003 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 69 5.136 6.028 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.574 3.423 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.669 4.711 -10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.038 3.380 -8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.542 2.530 -9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.542 2.898 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.549 4.288 -9.847 1.00 0.00 H new ATOM 1075 N TYR A 70 3.081 4.588 -9.351 1.00 0.00 N ATOM 1076 CA TYR A 70 1.813 3.982 -8.974 1.00 0.00 C ATOM 1077 C TYR A 70 1.840 2.482 -9.236 1.00 0.00 C ATOM 1078 O TYR A 70 1.595 2.031 -10.355 1.00 0.00 O ATOM 1079 CB TYR A 70 0.662 4.631 -9.743 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.627 4.714 -8.955 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.624 5.084 -7.615 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.847 4.420 -9.551 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.800 5.159 -6.893 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.027 4.494 -8.836 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.998 4.863 -7.508 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.172 4.937 -6.792 1.00 0.00 O ATOM 0 H TYR A 70 3.075 5.057 -10.257 1.00 0.00 H new ATOM 0 HA TYR A 70 1.657 4.146 -7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.959 5.636 -10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.483 4.065 -10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.313 5.317 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.874 4.129 -10.591 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.781 5.448 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.967 4.264 -9.315 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.153 4.281 -6.064 1.00 0.00 H new ATOM 1096 N CYS A 71 2.150 1.714 -8.197 1.00 0.00 N ATOM 1097 CA CYS A 71 2.222 0.262 -8.313 1.00 0.00 C ATOM 1098 C CYS A 71 0.830 -0.362 -8.279 1.00 0.00 C ATOM 1099 O CYS A 71 0.431 -1.054 -9.216 1.00 0.00 O ATOM 1100 CB CYS A 71 3.080 -0.318 -7.188 1.00 0.00 C ATOM 1101 SG CYS A 71 4.076 -1.745 -7.681 1.00 0.00 S ATOM 0 H CYS A 71 2.356 2.073 -7.265 1.00 0.00 H new ATOM 0 HA CYS A 71 2.681 0.024 -9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.742 0.462 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.430 -0.609 -6.363 1.00 0.00 H new ATOM 0 HG CYS A 71 3.572 -2.826 -7.163 1.00 0.00 H new ATOM 1107 N GLY A 72 0.092 -0.119 -7.200 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.244 -0.674 -7.085 1.00 0.00 C ATOM 1109 C GLY A 72 -1.932 -0.297 -5.788 1.00 0.00 C ATOM 1110 O GLY A 72 -1.659 0.756 -5.213 1.00 0.00 O ATOM 0 H GLY A 72 0.393 0.449 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.848 -0.329 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.188 -1.760 -7.158 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.833 -1.163 -5.333 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.573 -0.922 -4.100 1.00 0.00 C ATOM 1116 C ASP A 73 -3.742 -2.216 -3.304 1.00 0.00 C ATOM 1117 O ASP A 73 -3.042 -3.199 -3.544 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.946 -0.319 -4.415 1.00 0.00 C ATOM 1119 CG ASP A 73 -4.883 0.737 -5.503 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -3.984 1.601 -5.440 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.732 0.698 -6.418 1.00 0.00 O ATOM 0 H ASP A 73 -3.068 -2.038 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.004 -0.217 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.626 -1.113 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.362 0.122 -3.509 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.674 -2.205 -2.355 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.935 -3.373 -1.521 1.00 0.00 C ATOM 1128 C TYR A 74 -5.451 -4.544 -2.356 1.00 0.00 C ATOM 1129 O TYR A 74 -4.927 -5.655 -2.273 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.950 -3.021 -0.428 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.422 -4.212 0.378 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.402 -5.064 -0.116 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -5.888 -4.484 1.630 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -7.836 -6.153 0.616 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.316 -5.571 2.368 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.290 -6.402 1.857 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.719 -7.485 2.589 1.00 0.00 O ATOM 0 H TYR A 74 -5.262 -1.398 -2.145 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.996 -3.675 -1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.503 -2.292 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.814 -2.541 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.832 -4.872 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.125 -3.835 2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.599 -6.805 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.890 -5.769 3.340 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.004 -8.199 1.981 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.484 -4.289 -3.154 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.079 -5.314 -3.996 1.00 0.00 C ATOM 1149 C GLU A 75 -6.026 -6.028 -4.842 1.00 0.00 C ATOM 1150 O GLU A 75 -5.898 -7.250 -4.787 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.135 -4.680 -4.895 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.397 -5.511 -5.025 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.613 -6.034 -6.432 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.927 -7.004 -6.817 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.468 -5.473 -7.149 1.00 0.00 O ATOM 0 H GLU A 75 -6.927 -3.373 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.543 -6.061 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.395 -3.698 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.710 -4.522 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.346 -6.352 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.256 -4.908 -4.730 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.279 -5.258 -5.625 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.240 -5.818 -6.486 1.00 0.00 C ATOM 1164 C LEU A 76 -3.259 -6.668 -5.682 1.00 0.00 C ATOM 1165 O LEU A 76 -3.166 -7.881 -5.876 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.485 -4.698 -7.204 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.332 -3.849 -8.155 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.815 -2.585 -7.458 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.541 -3.500 -9.406 1.00 0.00 C ATOM 0 H LEU A 76 -5.372 -4.244 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.725 -6.456 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.041 -4.043 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.664 -5.139 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.204 -4.432 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.415 -1.995 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.420 -2.855 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.956 -1.999 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.159 -2.896 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.650 -2.937 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.246 -4.416 -9.918 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.530 -6.020 -4.777 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.552 -6.707 -3.938 1.00 0.00 C ATOM 1183 C PHE A 77 -2.143 -7.983 -3.336 1.00 0.00 C ATOM 1184 O PHE A 77 -1.599 -9.075 -3.513 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.069 -5.769 -2.827 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.197 -6.436 -1.797 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.756 -7.227 -0.806 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.179 -6.269 -1.821 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.042 -7.839 0.143 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.981 -6.879 -0.875 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.412 -7.665 0.108 1.00 0.00 C ATOM 0 H PHE A 77 -2.599 -5.017 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.704 -6.991 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.516 -4.944 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.936 -5.337 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.826 -7.367 -0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.629 -5.655 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.405 -8.453 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.052 -6.741 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.037 -8.143 0.848 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.257 -7.837 -2.627 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.919 -8.977 -2.002 1.00 0.00 C ATOM 1203 C VAL A 78 -4.383 -9.984 -3.048 1.00 0.00 C ATOM 1204 O VAL A 78 -4.393 -11.189 -2.801 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.129 -8.534 -1.156 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.717 -9.719 -0.404 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.730 -7.427 -0.192 1.00 0.00 C ATOM 0 H VAL A 78 -3.720 -6.942 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.185 -9.448 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.894 -8.142 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.570 -9.387 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.042 -10.477 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.960 -10.143 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.597 -7.127 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.947 -7.789 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.360 -6.570 -0.755 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.764 -9.483 -4.220 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.225 -10.344 -5.303 1.00 0.00 C ATOM 1219 C GLU A 79 -4.051 -11.019 -6.012 1.00 0.00 C ATOM 1220 O GLU A 79 -4.245 -11.825 -6.922 1.00 0.00 O ATOM 1221 CB GLU A 79 -6.046 -9.543 -6.312 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.689 -10.405 -7.386 1.00 0.00 C ATOM 1223 CD GLU A 79 -6.314 -9.970 -8.789 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -5.278 -10.445 -9.301 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.056 -9.154 -9.376 1.00 0.00 O ATOM 0 H GLU A 79 -4.762 -8.488 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.854 -11.118 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.825 -8.995 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.402 -8.803 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.390 -11.443 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.773 -10.367 -7.276 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.832 -10.686 -5.598 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.640 -11.263 -6.202 1.00 0.00 C ATOM 1234 C ALA A 80 -1.146 -12.468 -5.405 1.00 0.00 C ATOM 1235 O ALA A 80 -0.959 -13.552 -5.956 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.548 -10.210 -6.309 1.00 0.00 C ATOM 0 H ALA A 80 -2.646 -10.020 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.897 -11.609 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.340 -10.651 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.899 -9.384 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.301 -9.839 -5.314 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.938 -12.273 -4.105 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.466 -13.349 -3.234 1.00 0.00 C ATOM 1244 C VAL A 81 -1.338 -14.594 -3.372 1.00 0.00 C ATOM 1245 O VAL A 81 -0.863 -15.721 -3.234 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.455 -12.912 -1.756 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.177 -13.987 -0.884 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.274 -11.587 -1.593 1.00 0.00 C ATOM 0 H VAL A 81 -1.088 -11.382 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 81 0.552 -13.582 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.487 -12.774 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.175 -13.660 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.394 -14.911 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.203 -14.161 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.270 -11.297 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.303 -11.693 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.228 -10.820 -2.183 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.619 -14.374 -3.637 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.579 -15.463 -3.789 1.00 0.00 C ATOM 1260 C GLU A 82 -3.144 -16.454 -4.866 1.00 0.00 C ATOM 1261 O GLU A 82 -3.163 -17.666 -4.649 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.955 -14.899 -4.139 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.904 -13.773 -5.160 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.731 -14.067 -6.396 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.947 -14.316 -6.252 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.164 -14.049 -7.509 1.00 0.00 O ATOM 0 H GLU A 82 -3.021 -13.444 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.627 -15.996 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.581 -15.703 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.432 -14.534 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.262 -12.853 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.868 -13.600 -5.453 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.759 -15.936 -6.027 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.326 -16.780 -7.135 1.00 0.00 C ATOM 1275 C GLN A 83 -0.805 -16.829 -7.220 1.00 0.00 C ATOM 1276 O GLN A 83 -0.243 -17.361 -8.177 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.904 -16.257 -8.451 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.430 -17.354 -9.363 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.502 -16.921 -10.814 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.752 -17.410 -11.658 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -4.409 -15.997 -11.111 1.00 0.00 N ATOM 0 H GLN A 83 -2.738 -14.936 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.694 -17.791 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.713 -15.560 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.133 -15.695 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.786 -18.230 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.422 -17.655 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.010 -15.619 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.504 -15.666 -12.071 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.145 -16.258 -6.217 1.00 0.00 N ATOM 1291 CA ASN A 84 1.307 -16.218 -6.173 1.00 0.00 C ATOM 1292 C ASN A 84 1.836 -15.172 -7.145 1.00 0.00 C ATOM 1293 O ASN A 84 2.995 -15.218 -7.558 1.00 0.00 O ATOM 1294 CB ASN A 84 1.905 -17.591 -6.495 1.00 0.00 C ATOM 1295 CG ASN A 84 3.054 -17.951 -5.574 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.758 -17.076 -5.069 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.251 -19.246 -5.352 1.00 0.00 N ATOM 0 H ASN A 84 -0.600 -15.814 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 84 1.608 -15.945 -5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.127 -18.351 -6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.254 -17.599 -7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.010 -19.549 -4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.643 -19.937 -5.792 1.00 0.00 H new ATOM 1304 N THR A 85 0.974 -14.225 -7.501 1.00 0.00 N ATOM 1305 CA THR A 85 1.346 -13.161 -8.418 1.00 0.00 C ATOM 1306 C THR A 85 2.060 -12.035 -7.678 1.00 0.00 C ATOM 1307 O THR A 85 2.765 -11.232 -8.291 1.00 0.00 O ATOM 1308 CB THR A 85 0.109 -12.617 -9.133 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.929 -13.581 -9.145 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.376 -12.212 -10.566 1.00 0.00 C ATOM 0 H THR A 85 0.012 -14.175 -7.166 1.00 0.00 H new ATOM 0 HA THR A 85 2.029 -13.575 -9.160 1.00 0.00 H new ATOM 0 HB THR A 85 -0.183 -11.730 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.712 -13.213 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.543 -11.835 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.137 -11.432 -10.588 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.727 -13.077 -11.129 1.00 0.00 H new ATOM 1318 N LEU A 86 1.865 -11.980 -6.357 1.00 0.00 N ATOM 1319 CA LEU A 86 2.482 -10.954 -5.513 1.00 0.00 C ATOM 1320 C LEU A 86 3.849 -10.517 -6.039 1.00 0.00 C ATOM 1321 O LEU A 86 4.144 -9.324 -6.098 1.00 0.00 O ATOM 1322 CB LEU A 86 2.620 -11.473 -4.081 1.00 0.00 C ATOM 1323 CG LEU A 86 2.860 -10.400 -3.019 1.00 0.00 C ATOM 1324 CD1 LEU A 86 4.287 -9.882 -3.097 1.00 0.00 C ATOM 1325 CD2 LEU A 86 1.865 -9.257 -3.174 1.00 0.00 C ATOM 0 H LEU A 86 1.279 -12.641 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 86 1.830 -10.081 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.714 -12.022 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.445 -12.185 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 86 2.711 -10.850 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.439 -9.119 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.982 -10.705 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.464 -9.450 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.053 -8.504 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.978 -8.807 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.851 -9.640 -3.064 1.00 0.00 H new ATOM 1337 N GLN A 87 4.677 -11.483 -6.427 1.00 0.00 N ATOM 1338 CA GLN A 87 6.004 -11.175 -6.953 1.00 0.00 C ATOM 1339 C GLN A 87 5.895 -10.273 -8.176 1.00 0.00 C ATOM 1340 O GLN A 87 6.473 -9.188 -8.213 1.00 0.00 O ATOM 1341 CB GLN A 87 6.756 -12.457 -7.318 1.00 0.00 C ATOM 1342 CG GLN A 87 8.003 -12.209 -8.155 1.00 0.00 C ATOM 1343 CD GLN A 87 8.868 -13.447 -8.297 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.633 -14.286 -9.166 1.00 0.00 O ATOM 1345 NE2 GLN A 87 9.876 -13.566 -7.440 1.00 0.00 N ATOM 0 H GLN A 87 4.455 -12.478 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 87 6.562 -10.654 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.039 -12.976 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.086 -13.119 -7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.708 -11.861 -9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.589 -11.411 -7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.034 -12.846 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.492 -14.378 -7.487 1.00 0.00 H new ATOM 1354 N GLU A 88 5.140 -10.728 -9.174 1.00 0.00 N ATOM 1355 CA GLU A 88 4.944 -9.964 -10.403 1.00 0.00 C ATOM 1356 C GLU A 88 4.597 -8.508 -10.097 1.00 0.00 C ATOM 1357 O GLU A 88 4.808 -7.623 -10.924 1.00 0.00 O ATOM 1358 CB GLU A 88 3.836 -10.596 -11.248 1.00 0.00 C ATOM 1359 CG GLU A 88 3.985 -10.339 -12.738 1.00 0.00 C ATOM 1360 CD GLU A 88 4.490 -11.553 -13.493 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.421 -12.218 -12.992 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.955 -11.838 -14.585 1.00 0.00 O ATOM 0 H GLU A 88 4.653 -11.624 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 88 5.879 -9.983 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.826 -11.672 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.872 -10.210 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.022 -10.036 -13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.673 -9.508 -12.892 1.00 0.00 H new ATOM 1369 N PHE A 89 4.057 -8.272 -8.905 1.00 0.00 N ATOM 1370 CA PHE A 89 3.677 -6.931 -8.484 1.00 0.00 C ATOM 1371 C PHE A 89 4.732 -6.320 -7.563 1.00 0.00 C ATOM 1372 O PHE A 89 4.851 -5.098 -7.468 1.00 0.00 O ATOM 1373 CB PHE A 89 2.323 -6.981 -7.771 1.00 0.00 C ATOM 1374 CG PHE A 89 1.816 -5.639 -7.324 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.415 -4.971 -6.269 1.00 0.00 C ATOM 1376 CD2 PHE A 89 0.734 -5.051 -7.957 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.945 -3.739 -5.854 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.259 -3.820 -7.547 1.00 0.00 C ATOM 1379 CZ PHE A 89 0.866 -3.163 -6.494 1.00 0.00 C ATOM 0 H PHE A 89 3.873 -8.997 -8.212 1.00 0.00 H new ATOM 0 HA PHE A 89 3.601 -6.301 -9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.589 -7.431 -8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.406 -7.634 -6.902 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.259 -5.418 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.256 -5.560 -8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.421 -3.228 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.586 -3.372 -8.049 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.497 -2.200 -6.172 1.00 0.00 H new ATOM 1389 N LEU A 90 5.487 -7.173 -6.873 1.00 0.00 N ATOM 1390 CA LEU A 90 6.515 -6.705 -5.947 1.00 0.00 C ATOM 1391 C LEU A 90 7.913 -6.765 -6.563 1.00 0.00 C ATOM 1392 O LEU A 90 8.557 -5.733 -6.756 1.00 0.00 O ATOM 1393 CB LEU A 90 6.478 -7.530 -4.658 1.00 0.00 C ATOM 1394 CG LEU A 90 5.938 -6.792 -3.431 1.00 0.00 C ATOM 1395 CD1 LEU A 90 6.065 -7.658 -2.185 1.00 0.00 C ATOM 1396 CD2 LEU A 90 6.667 -5.470 -3.241 1.00 0.00 C ATOM 0 H LEU A 90 5.406 -8.188 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 90 6.298 -5.661 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.866 -8.415 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.487 -7.878 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 90 4.881 -6.582 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.676 -7.115 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.496 -8.578 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.114 -7.902 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.270 -4.958 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.731 -5.658 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.522 -4.845 -4.122 1.00 0.00 H new ATOM 1408 N LYS A 91 8.388 -7.975 -6.848 1.00 0.00 N ATOM 1409 CA LYS A 91 9.721 -8.158 -7.421 1.00 0.00 C ATOM 1410 C LYS A 91 9.673 -8.307 -8.942 1.00 0.00 C ATOM 1411 O LYS A 91 10.712 -8.420 -9.592 1.00 0.00 O ATOM 1412 CB LYS A 91 10.405 -9.383 -6.805 1.00 0.00 C ATOM 1413 CG LYS A 91 10.047 -9.618 -5.346 1.00 0.00 C ATOM 1414 CD LYS A 91 10.694 -8.584 -4.439 1.00 0.00 C ATOM 1415 CE LYS A 91 12.212 -8.651 -4.508 1.00 0.00 C ATOM 1416 NZ LYS A 91 12.830 -8.669 -3.153 1.00 0.00 N ATOM 0 H LYS A 91 7.873 -8.841 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 91 10.297 -7.263 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.135 -10.267 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.485 -9.265 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.964 -9.582 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.368 -10.616 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.360 -7.587 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.368 -8.746 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.511 -9.545 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.588 -7.794 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.865 -8.715 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.566 -7.804 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.491 -9.500 -2.628 1.00 0.00 H new ATOM 1430 N LEU A 92 8.468 -8.305 -9.507 1.00 0.00 N ATOM 1431 CA LEU A 92 8.297 -8.437 -10.953 1.00 0.00 C ATOM 1432 C LEU A 92 9.121 -9.599 -11.505 1.00 0.00 C ATOM 1433 O LEU A 92 9.526 -9.587 -12.668 1.00 0.00 O ATOM 1434 CB LEU A 92 8.696 -7.138 -11.660 1.00 0.00 C ATOM 1435 CG LEU A 92 8.275 -5.845 -10.953 1.00 0.00 C ATOM 1436 CD1 LEU A 92 6.838 -5.936 -10.462 1.00 0.00 C ATOM 1437 CD2 LEU A 92 9.213 -5.542 -9.796 1.00 0.00 C ATOM 0 H LEU A 92 7.596 -8.214 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 92 7.243 -8.641 -11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.779 -7.129 -11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.263 -7.142 -12.660 1.00 0.00 H new ATOM 0 HG LEU A 92 8.336 -5.030 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.564 -5.006 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.174 -6.103 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.745 -6.764 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.900 -4.621 -9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.184 -6.363 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.229 -5.425 -10.173 1.00 0.00 H new ATOM 1449 N ALA A 93 9.367 -10.600 -10.665 1.00 0.00 N ATOM 1450 CA ALA A 93 10.143 -11.766 -11.072 1.00 0.00 C ATOM 1451 C ALA A 93 11.522 -11.359 -11.582 1.00 0.00 C ATOM 1452 O ALA A 93 12.104 -12.031 -12.433 1.00 0.00 O ATOM 1453 CB ALA A 93 9.396 -12.551 -12.139 1.00 0.00 C ATOM 0 H ALA A 93 9.040 -10.627 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 93 10.281 -12.402 -10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.987 -13.418 -12.433 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.437 -12.883 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.228 -11.915 -13.008 1.00 0.00 H new ATOM 1459 N LEU A 94 12.040 -10.253 -11.055 1.00 0.00 N ATOM 1460 CA LEU A 94 13.350 -9.756 -11.457 1.00 0.00 C ATOM 1461 C LEU A 94 13.372 -9.420 -12.945 1.00 0.00 C ATOM 1462 O LEU A 94 14.376 -9.629 -13.625 1.00 0.00 O ATOM 1463 CB LEU A 94 14.432 -10.790 -11.140 1.00 0.00 C ATOM 1464 CG LEU A 94 15.775 -10.206 -10.696 1.00 0.00 C ATOM 1465 CD1 LEU A 94 15.620 -9.447 -9.387 1.00 0.00 C ATOM 1466 CD2 LEU A 94 16.814 -11.308 -10.555 1.00 0.00 C ATOM 0 H LEU A 94 11.572 -9.685 -10.349 1.00 0.00 H new ATOM 0 HA LEU A 94 13.552 -8.845 -10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.063 -11.451 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.595 -11.406 -12.025 1.00 0.00 H new ATOM 0 HG LEU A 94 16.116 -9.507 -11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.585 -9.039 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.907 -8.633 -9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.256 -10.125 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.763 -10.875 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.479 -12.031 -9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.946 -11.809 -11.514 1.00 0.00 H new ATOM 1478 N GLU A 95 12.256 -8.897 -13.445 1.00 0.00 N ATOM 1479 CA GLU A 95 12.147 -8.532 -14.852 1.00 0.00 C ATOM 1480 C GLU A 95 11.397 -7.214 -15.015 1.00 0.00 C ATOM 1481 O GLU A 95 11.638 -6.518 -16.024 1.00 0.00 O ATOM 1482 CB GLU A 95 11.434 -9.637 -15.634 1.00 0.00 C ATOM 1483 CG GLU A 95 12.363 -10.740 -16.113 1.00 0.00 C ATOM 1484 CD GLU A 95 13.421 -10.234 -17.074 1.00 0.00 C ATOM 1485 OE1 GLU A 95 13.162 -9.227 -17.765 1.00 0.00 O ATOM 1486 OE2 GLU A 95 14.509 -10.845 -17.135 1.00 0.00 O ATOM 0 H GLU A 95 11.415 -8.717 -12.896 1.00 0.00 H new ATOM 0 HA GLU A 95 13.155 -8.408 -15.248 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.659 -10.074 -15.004 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.933 -9.196 -16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.849 -11.200 -15.253 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.776 -11.518 -16.601 1.00 0.00 H new TER 1493 GLU A 95