USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 49 HIS : no HE2:sc= -9.11! C(o=-12!,f=-16!) USER MOD Set 1.2: A 51 TYR OH : rot 161:sc= -3.33! USER MOD Set 2.1: A 29 SER OG : rot -68:sc= 0.384 USER MOD Set 2.2: A 30 ASN :FLIP amide:sc= -0.287 F(o=-1.2,f=0.097) USER MOD Set 3.1: A 22 SER OG : rot -78:sc=-6.69e-05 USER MOD Set 3.2: A 25 GLN : amide:sc= 0.047 K(o=0.047,f=-0.47) USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.562 (180deg=0.113) USER MOD Single : A 1 SER OG : rot -81:sc= -1.39 USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -4.38! (180deg=-5.02!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 7 SER OG : rot -48:sc= -0.802 USER MOD Single : A 8 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 174:sc= -1.76 (180deg=-1.92) USER MOD Single : A 33 TYR OH : rot 159:sc= -1.2 USER MOD Single : A 42 SER OG : rot -50:sc= 0.319 USER MOD Single : A 44 SER OG : rot 180:sc= -0.179 USER MOD Single : A 47 THR OG1 : rot -85:sc= 0.207 USER MOD Single : A 53 ASN : amide:sc= -1.71! C(o=-1.7!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.554 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.44! C(o=-3.4!,f=-13!) USER MOD Single : A 70 MET CE :methyl -171:sc= -2.57 (180deg=-2.88) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 165:sc= -1.68! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.8!) USER MOD Single : A 82 SER OG : rot 29:sc= 0.534 USER MOD Single : A 85 CYS SG : rot 180:sc= -2.57 USER MOD Single : A 87 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.9!) USER MOD Single : A 90 MET CE :methyl 168:sc= -1.29 (180deg=-1.53) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -4.56! C(o=-4.6!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.032 -8.866 3.266 1.00 0.00 N ATOM 2 CA SER A 1 9.751 -9.408 2.732 1.00 0.00 C ATOM 3 C SER A 1 9.615 -9.018 1.258 1.00 0.00 C ATOM 4 O SER A 1 10.072 -7.973 0.843 1.00 0.00 O ATOM 5 CB SER A 1 8.586 -8.823 3.522 1.00 0.00 C ATOM 6 OG SER A 1 8.829 -7.445 3.763 1.00 0.00 O ATOM 0 H1 SER A 1 11.420 -9.524 3.972 1.00 0.00 H new ATOM 0 H2 SER A 1 11.712 -8.753 2.488 1.00 0.00 H new ATOM 0 H3 SER A 1 10.859 -7.943 3.712 1.00 0.00 H new ATOM 0 HA SER A 1 9.744 -10.494 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.656 -8.949 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.469 -9.354 4.467 1.00 0.00 H new ATOM 0 HG SER A 1 9.439 -7.349 4.524 1.00 0.00 H new ATOM 14 N LYS A 2 8.997 -9.849 0.461 1.00 0.00 N ATOM 15 CA LYS A 2 8.841 -9.527 -0.971 1.00 0.00 C ATOM 16 C LYS A 2 7.593 -8.670 -1.155 1.00 0.00 C ATOM 17 O LYS A 2 6.493 -9.106 -0.912 1.00 0.00 O ATOM 18 CB LYS A 2 8.675 -10.847 -1.751 1.00 0.00 C ATOM 19 CG LYS A 2 10.043 -11.354 -2.251 1.00 0.00 C ATOM 20 CD LYS A 2 10.399 -10.701 -3.598 1.00 0.00 C ATOM 21 CE LYS A 2 9.787 -11.503 -4.755 1.00 0.00 C ATOM 22 NZ LYS A 2 10.222 -10.910 -6.052 1.00 0.00 N ATOM 0 H LYS A 2 8.594 -10.740 0.751 1.00 0.00 H new ATOM 0 HA LYS A 2 9.712 -8.983 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.214 -11.599 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.005 -10.694 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.814 -11.126 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.018 -12.438 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.030 -9.676 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.482 -10.653 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.100 -12.545 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.699 -11.493 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.517 -11.125 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.312 -9.879 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.141 -11.312 -6.327 1.00 0.00 H new ATOM 36 N VAL A 3 7.744 -7.463 -1.597 1.00 0.00 N ATOM 37 CA VAL A 3 6.560 -6.584 -1.823 1.00 0.00 C ATOM 38 C VAL A 3 6.423 -6.360 -3.313 1.00 0.00 C ATOM 39 O VAL A 3 7.297 -5.823 -3.944 1.00 0.00 O ATOM 40 CB VAL A 3 6.821 -5.242 -1.130 1.00 0.00 C ATOM 41 CG1 VAL A 3 5.748 -4.206 -1.498 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.813 -5.463 0.371 1.00 0.00 C ATOM 0 H VAL A 3 8.644 -7.036 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 3 5.651 -7.036 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 3 7.787 -4.859 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.961 -3.265 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.752 -4.046 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.769 -4.571 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.998 -4.516 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.843 -5.855 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.593 -6.176 0.638 1.00 0.00 H new ATOM 52 N VAL A 4 5.324 -6.737 -3.886 1.00 0.00 N ATOM 53 CA VAL A 4 5.127 -6.520 -5.349 1.00 0.00 C ATOM 54 C VAL A 4 4.169 -5.344 -5.554 1.00 0.00 C ATOM 55 O VAL A 4 3.049 -5.343 -5.115 1.00 0.00 O ATOM 56 CB VAL A 4 4.569 -7.815 -5.970 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.756 -7.520 -7.244 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.725 -8.761 -6.321 1.00 0.00 C ATOM 0 H VAL A 4 4.545 -7.189 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 4 6.071 -6.280 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 4 3.910 -8.281 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.376 -8.454 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.920 -6.865 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.396 -7.031 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.326 -9.676 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.389 -8.275 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.282 -9.006 -5.417 1.00 0.00 H new ATOM 68 N TYR A 5 4.626 -4.367 -6.272 1.00 0.00 N ATOM 69 CA TYR A 5 3.793 -3.184 -6.592 1.00 0.00 C ATOM 70 C TYR A 5 3.301 -3.362 -8.019 1.00 0.00 C ATOM 71 O TYR A 5 4.075 -3.312 -8.954 1.00 0.00 O ATOM 72 CB TYR A 5 4.631 -1.907 -6.495 1.00 0.00 C ATOM 73 CG TYR A 5 4.948 -1.605 -5.047 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.974 -1.030 -4.218 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.220 -1.889 -4.536 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.272 -0.744 -2.878 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.514 -1.599 -3.195 1.00 0.00 C ATOM 78 CZ TYR A 5 5.544 -1.027 -2.372 1.00 0.00 C ATOM 79 OH TYR A 5 5.844 -0.743 -1.049 1.00 0.00 O ATOM 0 H TYR A 5 5.568 -4.338 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 5 2.961 -3.098 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.555 -2.025 -7.061 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.089 -1.072 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.993 -0.807 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.973 -2.330 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.520 -0.306 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.494 -1.819 -2.799 1.00 0.00 H new ATOM 0 HH TYR A 5 6.770 -1.003 -0.861 1.00 0.00 H new ATOM 89 N VAL A 6 2.020 -3.536 -8.201 1.00 0.00 N ATOM 90 CA VAL A 6 1.478 -3.679 -9.585 1.00 0.00 C ATOM 91 C VAL A 6 0.918 -2.320 -9.968 1.00 0.00 C ATOM 92 O VAL A 6 -0.057 -1.859 -9.420 1.00 0.00 O ATOM 93 CB VAL A 6 0.382 -4.746 -9.635 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.040 -4.986 -11.092 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.915 -6.048 -9.026 1.00 0.00 C ATOM 0 H VAL A 6 1.326 -3.585 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 6 2.257 -3.996 -10.278 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.484 -4.408 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.820 -5.746 -11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.420 -4.058 -11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.821 -5.325 -11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.137 -6.811 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.781 -6.388 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.206 -5.873 -7.990 1.00 0.00 H new ATOM 105 N SER A 7 1.565 -1.665 -10.868 1.00 0.00 N ATOM 106 CA SER A 7 1.123 -0.311 -11.253 1.00 0.00 C ATOM 107 C SER A 7 -0.096 -0.384 -12.164 1.00 0.00 C ATOM 108 O SER A 7 -0.643 -1.436 -12.427 1.00 0.00 O ATOM 109 CB SER A 7 2.261 0.403 -11.984 1.00 0.00 C ATOM 110 OG SER A 7 2.230 0.058 -13.357 1.00 0.00 O ATOM 0 H SER A 7 2.389 -2.010 -11.360 1.00 0.00 H new ATOM 0 HA SER A 7 0.854 0.240 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.162 1.482 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.220 0.122 -11.549 1.00 0.00 H new ATOM 0 HG SER A 7 2.146 -0.914 -13.448 1.00 0.00 H new ATOM 116 N HIS A 8 -0.509 0.748 -12.636 1.00 0.00 N ATOM 117 CA HIS A 8 -1.689 0.805 -13.534 1.00 0.00 C ATOM 118 C HIS A 8 -1.227 0.419 -14.944 1.00 0.00 C ATOM 119 O HIS A 8 -1.872 -0.342 -15.636 1.00 0.00 O ATOM 120 CB HIS A 8 -2.309 2.231 -13.519 1.00 0.00 C ATOM 121 CG HIS A 8 -1.400 3.201 -12.801 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.861 2.936 -11.551 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.939 4.447 -13.149 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.119 4.001 -11.196 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.134 4.946 -12.135 1.00 0.00 N ATOM 0 H HIS A 8 -0.076 1.650 -12.437 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.460 0.112 -13.197 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.477 2.571 -14.541 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.282 2.205 -13.028 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.168 4.960 -14.071 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.422 4.080 -10.265 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.345 5.846 -12.113 1.00 0.00 H new ATOM 134 N ASP A 9 -0.115 0.944 -15.370 1.00 0.00 N ATOM 135 CA ASP A 9 0.383 0.611 -16.729 1.00 0.00 C ATOM 136 C ASP A 9 0.711 -0.890 -16.822 1.00 0.00 C ATOM 137 O ASP A 9 1.000 -1.401 -17.885 1.00 0.00 O ATOM 138 CB ASP A 9 1.640 1.446 -17.040 1.00 0.00 C ATOM 139 CG ASP A 9 2.434 1.677 -15.752 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.885 2.266 -14.829 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.582 1.265 -15.702 1.00 0.00 O ATOM 0 H ASP A 9 0.469 1.588 -14.837 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.392 0.845 -17.459 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.259 0.930 -17.774 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.355 2.402 -17.480 1.00 0.00 H new ATOM 146 N GLY A 10 0.655 -1.610 -15.728 1.00 0.00 N ATOM 147 CA GLY A 10 0.949 -3.084 -15.767 1.00 0.00 C ATOM 148 C GLY A 10 2.393 -3.361 -15.326 1.00 0.00 C ATOM 149 O GLY A 10 2.762 -4.490 -15.070 1.00 0.00 O ATOM 0 H GLY A 10 0.418 -1.243 -14.806 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.256 -3.615 -15.115 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.792 -3.465 -16.776 1.00 0.00 H new ATOM 153 N THR A 11 3.214 -2.351 -15.256 1.00 0.00 N ATOM 154 CA THR A 11 4.628 -2.581 -14.846 1.00 0.00 C ATOM 155 C THR A 11 4.666 -3.088 -13.402 1.00 0.00 C ATOM 156 O THR A 11 4.097 -2.497 -12.505 1.00 0.00 O ATOM 157 CB THR A 11 5.449 -1.285 -15.027 1.00 0.00 C ATOM 158 OG1 THR A 11 6.743 -1.621 -15.512 1.00 0.00 O ATOM 159 CG2 THR A 11 5.600 -0.501 -13.709 1.00 0.00 C ATOM 0 H THR A 11 2.970 -1.382 -15.463 1.00 0.00 H new ATOM 0 HA THR A 11 5.080 -3.343 -15.480 1.00 0.00 H new ATOM 0 HB THR A 11 4.915 -0.650 -15.734 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.270 -0.803 -15.631 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.184 0.402 -13.887 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.614 -0.227 -13.334 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.108 -1.123 -12.972 1.00 0.00 H new ATOM 167 N ARG A 12 5.335 -4.184 -13.186 1.00 0.00 N ATOM 168 CA ARG A 12 5.429 -4.771 -11.812 1.00 0.00 C ATOM 169 C ARG A 12 6.817 -4.490 -11.228 1.00 0.00 C ATOM 170 O ARG A 12 7.823 -4.629 -11.893 1.00 0.00 O ATOM 171 CB ARG A 12 5.215 -6.299 -11.877 1.00 0.00 C ATOM 172 CG ARG A 12 3.987 -6.661 -12.788 1.00 0.00 C ATOM 173 CD ARG A 12 2.891 -7.458 -12.027 1.00 0.00 C ATOM 174 NE ARG A 12 2.956 -8.901 -12.415 1.00 0.00 N ATOM 175 CZ ARG A 12 1.864 -9.630 -12.494 1.00 0.00 C ATOM 176 NH1 ARG A 12 0.682 -9.092 -12.328 1.00 0.00 N ATOM 177 NH2 ARG A 12 1.964 -10.905 -12.747 1.00 0.00 N ATOM 0 H ARG A 12 5.828 -4.708 -13.909 1.00 0.00 H new ATOM 0 HA ARG A 12 4.662 -4.320 -11.182 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.113 -6.779 -12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.054 -6.690 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.553 -5.744 -13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.332 -7.247 -13.640 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.033 -7.354 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.906 -7.053 -12.259 1.00 0.00 H new ATOM 0 HE ARG A 12 3.860 -9.326 -12.621 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.599 -8.094 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.155 -9.671 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.882 -11.328 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.124 -11.480 -12.810 1.00 0.00 H new ATOM 191 N ARG A 13 6.879 -4.109 -9.976 1.00 0.00 N ATOM 192 CA ARG A 13 8.188 -3.832 -9.309 1.00 0.00 C ATOM 193 C ARG A 13 8.205 -4.586 -7.986 1.00 0.00 C ATOM 194 O ARG A 13 7.315 -4.435 -7.169 1.00 0.00 O ATOM 195 CB ARG A 13 8.319 -2.332 -9.026 1.00 0.00 C ATOM 196 CG ARG A 13 9.802 -1.953 -8.779 1.00 0.00 C ATOM 197 CD ARG A 13 10.528 -1.539 -10.086 1.00 0.00 C ATOM 198 NE ARG A 13 11.117 -0.178 -9.899 1.00 0.00 N ATOM 199 CZ ARG A 13 10.340 0.879 -9.811 1.00 0.00 C ATOM 200 NH1 ARG A 13 9.045 0.758 -9.966 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.868 2.058 -9.588 1.00 0.00 N ATOM 0 H ARG A 13 6.063 -3.976 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 13 9.011 -4.147 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.927 -1.762 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.720 -2.067 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.851 -1.133 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.321 -2.799 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.310 -2.259 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.828 -1.536 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 13 12.129 -0.068 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.637 -0.158 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.444 1.579 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.878 2.153 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.269 2.880 -9.519 1.00 0.00 H new ATOM 215 N GLU A 14 9.197 -5.398 -7.765 1.00 0.00 N ATOM 216 CA GLU A 14 9.276 -6.178 -6.493 1.00 0.00 C ATOM 217 C GLU A 14 10.320 -5.557 -5.574 1.00 0.00 C ATOM 218 O GLU A 14 11.437 -5.272 -5.962 1.00 0.00 O ATOM 219 CB GLU A 14 9.645 -7.640 -6.802 1.00 0.00 C ATOM 220 CG GLU A 14 9.093 -8.043 -8.180 1.00 0.00 C ATOM 221 CD GLU A 14 9.046 -9.572 -8.282 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.103 -10.171 -8.412 1.00 0.00 O ATOM 223 OE2 GLU A 14 7.956 -10.117 -8.236 1.00 0.00 O ATOM 0 H GLU A 14 9.966 -5.559 -8.415 1.00 0.00 H new ATOM 0 HA GLU A 14 8.307 -6.156 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.728 -7.761 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.239 -8.296 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.095 -7.627 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.723 -7.634 -8.970 1.00 0.00 H new ATOM 230 N LEU A 15 9.923 -5.294 -4.367 1.00 0.00 N ATOM 231 CA LEU A 15 10.811 -4.632 -3.377 1.00 0.00 C ATOM 232 C LEU A 15 11.106 -5.532 -2.183 1.00 0.00 C ATOM 233 O LEU A 15 10.375 -6.436 -1.854 1.00 0.00 O ATOM 234 CB LEU A 15 10.046 -3.397 -2.827 1.00 0.00 C ATOM 235 CG LEU A 15 10.877 -2.102 -2.967 1.00 0.00 C ATOM 236 CD1 LEU A 15 10.461 -1.320 -4.211 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.661 -1.208 -1.737 1.00 0.00 C ATOM 0 H LEU A 15 8.992 -5.517 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 15 11.750 -4.380 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.103 -3.284 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.799 -3.559 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 15 11.926 -2.385 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.060 -0.413 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.619 -1.935 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.407 -1.053 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.250 -0.297 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.605 -0.951 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.975 -1.741 -0.840 1.00 0.00 H new ATOM 249 N ASP A 16 12.155 -5.196 -1.487 1.00 0.00 N ATOM 250 CA ASP A 16 12.514 -5.903 -0.237 1.00 0.00 C ATOM 251 C ASP A 16 12.234 -4.892 0.880 1.00 0.00 C ATOM 252 O ASP A 16 12.905 -3.886 0.985 1.00 0.00 O ATOM 253 CB ASP A 16 14.003 -6.266 -0.264 1.00 0.00 C ATOM 254 CG ASP A 16 14.209 -7.591 -1.000 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.350 -7.951 -1.781 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.226 -8.223 -0.757 1.00 0.00 O ATOM 0 H ASP A 16 12.791 -4.441 -1.743 1.00 0.00 H new ATOM 0 HA ASP A 16 11.953 -6.828 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.569 -5.476 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.385 -6.344 0.754 1.00 0.00 H new ATOM 261 N VAL A 17 11.251 -5.144 1.704 1.00 0.00 N ATOM 262 CA VAL A 17 10.908 -4.199 2.822 1.00 0.00 C ATOM 263 C VAL A 17 11.156 -4.909 4.159 1.00 0.00 C ATOM 264 O VAL A 17 10.676 -5.999 4.394 1.00 0.00 O ATOM 265 CB VAL A 17 9.424 -3.786 2.669 1.00 0.00 C ATOM 266 CG1 VAL A 17 9.064 -2.634 3.629 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.198 -3.334 1.218 1.00 0.00 C ATOM 0 H VAL A 17 10.660 -5.974 1.654 1.00 0.00 H new ATOM 0 HA VAL A 17 11.527 -3.302 2.790 1.00 0.00 H new ATOM 0 HB VAL A 17 8.789 -4.637 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.016 -2.366 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.232 -2.952 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.690 -1.769 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.157 -3.038 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.847 -2.487 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.429 -4.156 0.541 1.00 0.00 H new ATOM 277 N ALA A 18 11.941 -4.306 5.013 1.00 0.00 N ATOM 278 CA ALA A 18 12.267 -4.952 6.317 1.00 0.00 C ATOM 279 C ALA A 18 11.040 -4.981 7.239 1.00 0.00 C ATOM 280 O ALA A 18 10.067 -4.280 7.034 1.00 0.00 O ATOM 281 CB ALA A 18 13.419 -4.187 6.997 1.00 0.00 C ATOM 0 H ALA A 18 12.370 -3.393 4.863 1.00 0.00 H new ATOM 0 HA ALA A 18 12.572 -5.981 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.657 -4.659 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.298 -4.206 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.118 -3.154 7.170 1.00 0.00 H new ATOM 287 N ASP A 19 11.101 -5.806 8.243 1.00 0.00 N ATOM 288 CA ASP A 19 9.978 -5.934 9.198 1.00 0.00 C ATOM 289 C ASP A 19 9.760 -4.618 9.929 1.00 0.00 C ATOM 290 O ASP A 19 10.683 -3.907 10.277 1.00 0.00 O ATOM 291 CB ASP A 19 10.309 -7.031 10.209 1.00 0.00 C ATOM 292 CG ASP A 19 11.740 -6.846 10.720 1.00 0.00 C ATOM 293 OD1 ASP A 19 11.917 -6.104 11.665 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.633 -7.449 10.148 1.00 0.00 O ATOM 0 H ASP A 19 11.900 -6.408 8.443 1.00 0.00 H new ATOM 0 HA ASP A 19 9.068 -6.190 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.607 -6.995 11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.202 -8.011 9.745 1.00 0.00 H new ATOM 299 N GLY A 20 8.527 -4.318 10.180 1.00 0.00 N ATOM 300 CA GLY A 20 8.184 -3.069 10.905 1.00 0.00 C ATOM 301 C GLY A 20 8.220 -1.861 9.970 1.00 0.00 C ATOM 302 O GLY A 20 7.947 -0.753 10.388 1.00 0.00 O ATOM 0 H GLY A 20 7.727 -4.891 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.191 -3.162 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.885 -2.918 11.726 1.00 0.00 H new ATOM 306 N VAL A 21 8.569 -2.033 8.719 1.00 0.00 N ATOM 307 CA VAL A 21 8.632 -0.857 7.797 1.00 0.00 C ATOM 308 C VAL A 21 7.297 -0.708 7.073 1.00 0.00 C ATOM 309 O VAL A 21 6.612 -1.678 6.820 1.00 0.00 O ATOM 310 CB VAL A 21 9.710 -1.099 6.742 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.872 0.134 5.862 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.051 -1.451 7.381 1.00 0.00 C ATOM 0 H VAL A 21 8.811 -2.930 8.299 1.00 0.00 H new ATOM 0 HA VAL A 21 8.855 0.038 8.377 1.00 0.00 H new ATOM 0 HB VAL A 21 9.390 -1.944 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.643 -0.051 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.928 0.352 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.161 0.985 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.794 -1.616 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.375 -0.631 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.943 -2.357 7.977 1.00 0.00 H new ATOM 322 N SER A 22 6.924 0.495 6.725 1.00 0.00 N ATOM 323 CA SER A 22 5.639 0.695 6.004 1.00 0.00 C ATOM 324 C SER A 22 5.920 0.718 4.499 1.00 0.00 C ATOM 325 O SER A 22 6.931 1.226 4.053 1.00 0.00 O ATOM 326 CB SER A 22 5.014 2.026 6.423 1.00 0.00 C ATOM 327 OG SER A 22 5.796 3.094 5.907 1.00 0.00 O ATOM 0 H SER A 22 7.455 1.346 6.910 1.00 0.00 H new ATOM 0 HA SER A 22 4.950 -0.115 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.992 2.095 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.961 2.090 7.510 1.00 0.00 H new ATOM 0 HG SER A 22 6.593 3.215 6.464 1.00 0.00 H new ATOM 333 N LEU A 23 5.033 0.182 3.705 1.00 0.00 N ATOM 334 CA LEU A 23 5.249 0.183 2.229 1.00 0.00 C ATOM 335 C LEU A 23 5.526 1.612 1.769 1.00 0.00 C ATOM 336 O LEU A 23 6.075 1.843 0.709 1.00 0.00 O ATOM 337 CB LEU A 23 3.983 -0.326 1.544 1.00 0.00 C ATOM 338 CG LEU A 23 3.670 -1.769 1.975 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.479 -2.289 1.168 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.889 -2.679 1.736 1.00 0.00 C ATOM 0 H LEU A 23 4.166 -0.257 4.015 1.00 0.00 H new ATOM 0 HA LEU A 23 6.093 -0.458 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.143 0.323 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.108 -0.284 0.462 1.00 0.00 H new ATOM 0 HG LEU A 23 3.431 -1.777 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.253 -3.312 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.611 -1.656 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.723 -2.270 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.650 -3.696 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.145 -2.674 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.736 -2.312 2.316 1.00 0.00 H new ATOM 352 N MET A 24 5.145 2.568 2.561 1.00 0.00 N ATOM 353 CA MET A 24 5.372 3.988 2.190 1.00 0.00 C ATOM 354 C MET A 24 6.835 4.357 2.471 1.00 0.00 C ATOM 355 O MET A 24 7.372 5.283 1.899 1.00 0.00 O ATOM 356 CB MET A 24 4.426 4.857 3.029 1.00 0.00 C ATOM 357 CG MET A 24 4.944 6.298 3.132 1.00 0.00 C ATOM 358 SD MET A 24 3.567 7.409 3.512 1.00 0.00 S ATOM 359 CE MET A 24 4.331 8.931 2.898 1.00 0.00 C ATOM 0 H MET A 24 4.681 2.426 3.458 1.00 0.00 H new ATOM 0 HA MET A 24 5.173 4.149 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.433 4.856 2.581 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.326 4.431 4.027 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.706 6.367 3.908 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.416 6.594 2.195 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.606 9.744 2.937 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.191 9.182 3.519 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.657 8.785 1.868 1.00 0.00 H new ATOM 369 N GLN A 25 7.476 3.644 3.349 1.00 0.00 N ATOM 370 CA GLN A 25 8.896 3.960 3.675 1.00 0.00 C ATOM 371 C GLN A 25 9.810 3.388 2.584 1.00 0.00 C ATOM 372 O GLN A 25 10.608 4.099 2.008 1.00 0.00 O ATOM 373 CB GLN A 25 9.253 3.350 5.048 1.00 0.00 C ATOM 374 CG GLN A 25 9.006 4.372 6.164 1.00 0.00 C ATOM 375 CD GLN A 25 9.204 3.699 7.524 1.00 0.00 C ATOM 376 OE1 GLN A 25 8.276 3.154 8.082 1.00 0.00 O ATOM 377 NE2 GLN A 25 10.385 3.714 8.079 1.00 0.00 N ATOM 0 H GLN A 25 7.080 2.854 3.858 1.00 0.00 H new ATOM 0 HA GLN A 25 9.034 5.040 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.653 2.457 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.298 3.039 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.691 5.213 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.995 4.772 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.164 4.173 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.529 3.266 8.984 1.00 0.00 H new ATOM 386 N ALA A 26 9.720 2.115 2.300 1.00 0.00 N ATOM 387 CA ALA A 26 10.620 1.537 1.241 1.00 0.00 C ATOM 388 C ALA A 26 10.226 2.010 -0.164 1.00 0.00 C ATOM 389 O ALA A 26 11.052 2.040 -1.056 1.00 0.00 O ATOM 390 CB ALA A 26 10.562 0.003 1.320 1.00 0.00 C ATOM 0 H ALA A 26 9.078 1.457 2.742 1.00 0.00 H new ATOM 0 HA ALA A 26 11.637 1.885 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.211 -0.425 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.896 -0.323 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.538 -0.331 1.155 1.00 0.00 H new ATOM 396 N ALA A 27 8.993 2.365 -0.389 1.00 0.00 N ATOM 397 CA ALA A 27 8.602 2.808 -1.762 1.00 0.00 C ATOM 398 C ALA A 27 9.190 4.190 -2.084 1.00 0.00 C ATOM 399 O ALA A 27 9.471 4.502 -3.224 1.00 0.00 O ATOM 400 CB ALA A 27 7.080 2.881 -1.854 1.00 0.00 C ATOM 0 H ALA A 27 8.246 2.369 0.305 1.00 0.00 H new ATOM 0 HA ALA A 27 8.992 2.087 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.791 3.204 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.656 1.897 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.705 3.594 -1.120 1.00 0.00 H new ATOM 406 N VAL A 28 9.366 5.026 -1.094 1.00 0.00 N ATOM 407 CA VAL A 28 9.923 6.396 -1.345 1.00 0.00 C ATOM 408 C VAL A 28 11.429 6.299 -1.600 1.00 0.00 C ATOM 409 O VAL A 28 12.033 7.177 -2.177 1.00 0.00 O ATOM 410 CB VAL A 28 9.672 7.285 -0.105 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.581 8.525 -0.133 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.214 7.748 -0.086 1.00 0.00 C ATOM 0 H VAL A 28 9.148 4.822 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 28 9.434 6.832 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 28 9.892 6.696 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.389 9.137 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.625 8.211 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.375 9.107 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.042 8.374 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.002 8.321 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.557 6.879 -0.045 1.00 0.00 H new ATOM 422 N SER A 29 12.037 5.251 -1.140 1.00 0.00 N ATOM 423 CA SER A 29 13.509 5.086 -1.312 1.00 0.00 C ATOM 424 C SER A 29 13.789 4.427 -2.645 1.00 0.00 C ATOM 425 O SER A 29 14.901 4.426 -3.139 1.00 0.00 O ATOM 426 CB SER A 29 14.009 4.183 -0.183 1.00 0.00 C ATOM 427 OG SER A 29 14.671 3.038 -0.714 1.00 0.00 O ATOM 0 H SER A 29 11.576 4.488 -0.645 1.00 0.00 H new ATOM 0 HA SER A 29 14.011 6.053 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.691 4.739 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.170 3.870 0.438 1.00 0.00 H new ATOM 0 HG SER A 29 14.018 2.462 -1.163 1.00 0.00 H new ATOM 433 N ASN A 30 12.775 3.866 -3.237 1.00 0.00 N ATOM 434 CA ASN A 30 12.939 3.195 -4.555 1.00 0.00 C ATOM 435 C ASN A 30 12.253 4.029 -5.631 1.00 0.00 C ATOM 436 O ASN A 30 12.134 3.609 -6.761 1.00 0.00 O ATOM 437 CB ASN A 30 12.278 1.825 -4.476 1.00 0.00 C ATOM 438 CG ASN A 30 13.203 0.854 -3.734 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.498 1.078 -2.481 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 13.663 -0.117 -4.301 1.00 0.00 N flip ATOM 0 H ASN A 30 11.828 3.843 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 30 13.996 3.090 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.322 1.900 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.070 1.451 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.433 -0.293 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.279 -0.757 -3.799 1.00 0.00 H new ATOM 447 N GLY A 31 11.860 5.235 -5.320 1.00 0.00 N ATOM 448 CA GLY A 31 11.257 6.098 -6.382 1.00 0.00 C ATOM 449 C GLY A 31 9.887 5.564 -6.809 1.00 0.00 C ATOM 450 O GLY A 31 9.536 5.635 -7.975 1.00 0.00 O ATOM 0 H GLY A 31 11.927 5.657 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.155 7.118 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.922 6.137 -7.245 1.00 0.00 H new ATOM 454 N ILE A 32 9.125 5.001 -5.915 1.00 0.00 N ATOM 455 CA ILE A 32 7.794 4.422 -6.304 1.00 0.00 C ATOM 456 C ILE A 32 6.638 5.214 -5.701 1.00 0.00 C ATOM 457 O ILE A 32 5.598 5.364 -6.315 1.00 0.00 O ATOM 458 CB ILE A 32 7.746 2.985 -5.786 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.804 2.159 -6.524 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.363 2.378 -6.032 1.00 0.00 C ATOM 461 CD1 ILE A 32 9.003 0.832 -5.794 1.00 0.00 C ATOM 0 H ILE A 32 9.361 4.913 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 32 7.689 4.461 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 32 7.944 2.980 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.490 1.979 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.745 2.708 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.343 1.354 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.609 2.969 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.151 2.378 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.755 0.239 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.335 1.024 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.061 0.284 -5.772 1.00 0.00 H new ATOM 473 N TYR A 33 6.780 5.668 -4.508 1.00 0.00 N ATOM 474 CA TYR A 33 5.654 6.386 -3.855 1.00 0.00 C ATOM 475 C TYR A 33 5.354 7.744 -4.511 1.00 0.00 C ATOM 476 O TYR A 33 4.688 8.548 -3.897 1.00 0.00 O ATOM 477 CB TYR A 33 5.991 6.570 -2.359 1.00 0.00 C ATOM 478 CG TYR A 33 4.815 6.176 -1.484 1.00 0.00 C ATOM 479 CD1 TYR A 33 4.276 4.886 -1.575 1.00 0.00 C ATOM 480 CD2 TYR A 33 4.278 7.095 -0.572 1.00 0.00 C ATOM 481 CE1 TYR A 33 3.200 4.517 -0.760 1.00 0.00 C ATOM 482 CE2 TYR A 33 3.201 6.726 0.240 1.00 0.00 C ATOM 483 CZ TYR A 33 2.664 5.438 0.148 1.00 0.00 C ATOM 484 OH TYR A 33 1.606 5.076 0.949 1.00 0.00 O ATOM 0 H TYR A 33 7.626 5.578 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 33 4.752 5.786 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.860 5.964 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.259 7.609 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.691 4.176 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.696 8.088 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.784 3.523 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.784 7.436 0.939 1.00 0.00 H new ATOM 0 HH TYR A 33 1.566 5.671 1.727 1.00 0.00 H new ATOM 494 N ASP A 34 5.870 8.037 -5.685 1.00 0.00 N ATOM 495 CA ASP A 34 5.617 9.381 -6.343 1.00 0.00 C ATOM 496 C ASP A 34 4.106 9.715 -6.393 1.00 0.00 C ATOM 497 O ASP A 34 3.579 10.163 -7.393 1.00 0.00 O ATOM 498 CB ASP A 34 6.179 9.360 -7.768 1.00 0.00 C ATOM 499 CG ASP A 34 5.513 8.237 -8.557 1.00 0.00 C ATOM 500 OD1 ASP A 34 5.986 7.116 -8.474 1.00 0.00 O ATOM 501 OD2 ASP A 34 4.540 8.517 -9.243 1.00 0.00 O ATOM 0 H ASP A 34 6.460 7.404 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 34 6.114 10.148 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.000 10.318 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.259 9.212 -7.743 1.00 0.00 H new ATOM 506 N ILE A 35 3.438 9.486 -5.310 1.00 0.00 N ATOM 507 CA ILE A 35 1.975 9.755 -5.201 1.00 0.00 C ATOM 508 C ILE A 35 1.767 11.016 -4.363 1.00 0.00 C ATOM 509 O ILE A 35 0.667 11.337 -3.960 1.00 0.00 O ATOM 510 CB ILE A 35 1.280 8.556 -4.540 1.00 0.00 C ATOM 511 CG1 ILE A 35 1.738 7.247 -5.208 1.00 0.00 C ATOM 512 CG2 ILE A 35 -0.245 8.692 -4.678 1.00 0.00 C ATOM 513 CD1 ILE A 35 1.279 6.053 -4.362 1.00 0.00 C ATOM 0 H ILE A 35 3.856 9.109 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 35 1.546 9.904 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 35 1.548 8.535 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.323 7.175 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.823 7.238 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.731 7.838 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.574 9.610 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.513 8.725 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.603 5.126 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.715 6.124 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.192 6.059 -4.283 1.00 0.00 H new ATOM 525 N VAL A 36 2.823 11.739 -4.103 1.00 0.00 N ATOM 526 CA VAL A 36 2.702 12.984 -3.296 1.00 0.00 C ATOM 527 C VAL A 36 2.053 12.662 -1.946 1.00 0.00 C ATOM 528 O VAL A 36 0.880 12.902 -1.737 1.00 0.00 O ATOM 529 CB VAL A 36 1.842 14.003 -4.047 1.00 0.00 C ATOM 530 CG1 VAL A 36 2.024 15.389 -3.424 1.00 0.00 C ATOM 531 CG2 VAL A 36 2.276 14.046 -5.509 1.00 0.00 C ATOM 0 H VAL A 36 3.768 11.518 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 36 3.695 13.402 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 36 0.794 13.712 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.410 16.113 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.720 15.360 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.072 15.682 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.666 14.771 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.324 14.338 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.148 13.060 -5.956 1.00 0.00 H new ATOM 541 N GLY A 37 2.807 12.126 -1.026 1.00 0.00 N ATOM 542 CA GLY A 37 2.231 11.797 0.297 1.00 0.00 C ATOM 543 C GLY A 37 1.925 13.093 1.056 1.00 0.00 C ATOM 544 O GLY A 37 2.817 13.790 1.494 1.00 0.00 O ATOM 0 H GLY A 37 3.796 11.904 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.320 11.211 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.929 11.185 0.868 1.00 0.00 H new ATOM 548 N ASP A 38 0.673 13.424 1.199 1.00 0.00 N ATOM 549 CA ASP A 38 0.312 14.676 1.920 1.00 0.00 C ATOM 550 C ASP A 38 0.661 14.541 3.403 1.00 0.00 C ATOM 551 O ASP A 38 1.510 15.243 3.915 1.00 0.00 O ATOM 552 CB ASP A 38 -1.187 14.936 1.766 1.00 0.00 C ATOM 553 CG ASP A 38 -1.483 15.444 0.355 1.00 0.00 C ATOM 554 OD1 ASP A 38 -0.602 15.351 -0.479 1.00 0.00 O ATOM 555 OD2 ASP A 38 -2.586 15.918 0.133 1.00 0.00 O ATOM 0 H ASP A 38 -0.116 12.882 0.848 1.00 0.00 H new ATOM 0 HA ASP A 38 0.872 15.510 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.746 14.020 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.516 15.669 2.503 1.00 0.00 H new ATOM 560 N CYS A 39 0.005 13.652 4.102 1.00 0.00 N ATOM 561 CA CYS A 39 0.303 13.495 5.555 1.00 0.00 C ATOM 562 C CYS A 39 1.725 12.956 5.744 1.00 0.00 C ATOM 563 O CYS A 39 2.216 12.850 6.846 1.00 0.00 O ATOM 564 CB CYS A 39 -0.716 12.552 6.212 1.00 0.00 C ATOM 565 SG CYS A 39 -0.303 10.818 5.874 1.00 0.00 S ATOM 0 H CYS A 39 -0.718 13.033 3.733 1.00 0.00 H new ATOM 0 HA CYS A 39 0.230 14.471 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.734 12.723 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.716 12.772 5.837 1.00 0.00 H new ATOM 570 N GLY A 40 2.395 12.630 4.671 1.00 0.00 N ATOM 571 CA GLY A 40 3.792 12.117 4.790 1.00 0.00 C ATOM 572 C GLY A 40 3.784 10.703 5.376 1.00 0.00 C ATOM 573 O GLY A 40 4.821 10.137 5.658 1.00 0.00 O ATOM 0 H GLY A 40 2.037 12.696 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.270 12.111 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.378 12.780 5.427 1.00 0.00 H new ATOM 577 N GLY A 41 2.623 10.125 5.545 1.00 0.00 N ATOM 578 CA GLY A 41 2.536 8.737 6.105 1.00 0.00 C ATOM 579 C GLY A 41 2.068 8.793 7.561 1.00 0.00 C ATOM 580 O GLY A 41 2.281 7.874 8.325 1.00 0.00 O ATOM 0 H GLY A 41 1.726 10.554 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.843 8.139 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.509 8.249 6.045 1.00 0.00 H new ATOM 584 N SER A 42 1.424 9.862 7.956 1.00 0.00 N ATOM 585 CA SER A 42 0.932 9.979 9.357 1.00 0.00 C ATOM 586 C SER A 42 -0.548 9.595 9.407 1.00 0.00 C ATOM 587 O SER A 42 -1.262 9.938 10.326 1.00 0.00 O ATOM 588 CB SER A 42 1.096 11.422 9.833 1.00 0.00 C ATOM 589 OG SER A 42 0.925 11.473 11.246 1.00 0.00 O ATOM 0 H SER A 42 1.218 10.664 7.361 1.00 0.00 H new ATOM 0 HA SER A 42 1.505 9.314 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.082 11.797 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.364 12.064 9.343 1.00 0.00 H new ATOM 0 HG SER A 42 0.101 11.003 11.493 1.00 0.00 H new ATOM 595 N ALA A 43 -1.011 8.882 8.413 1.00 0.00 N ATOM 596 CA ALA A 43 -2.442 8.468 8.394 1.00 0.00 C ATOM 597 C ALA A 43 -3.340 9.701 8.516 1.00 0.00 C ATOM 598 O ALA A 43 -4.096 9.837 9.455 1.00 0.00 O ATOM 599 CB ALA A 43 -2.718 7.526 9.565 1.00 0.00 C ATOM 0 H ALA A 43 -0.459 8.570 7.615 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.653 7.957 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.765 7.224 9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.084 6.643 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.502 8.038 10.503 1.00 0.00 H new ATOM 605 N SER A 44 -3.268 10.604 7.572 1.00 0.00 N ATOM 606 CA SER A 44 -4.128 11.825 7.639 1.00 0.00 C ATOM 607 C SER A 44 -4.503 12.277 6.219 1.00 0.00 C ATOM 608 O SER A 44 -4.945 13.391 6.015 1.00 0.00 O ATOM 609 CB SER A 44 -3.370 12.945 8.376 1.00 0.00 C ATOM 610 OG SER A 44 -2.429 12.360 9.268 1.00 0.00 O ATOM 0 H SER A 44 -2.653 10.550 6.760 1.00 0.00 H new ATOM 0 HA SER A 44 -5.044 11.597 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.859 13.588 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.070 13.574 8.927 1.00 0.00 H new ATOM 0 HG SER A 44 -1.942 13.067 9.740 1.00 0.00 H new ATOM 616 N CYS A 45 -4.336 11.427 5.235 1.00 0.00 N ATOM 617 CA CYS A 45 -4.691 11.825 3.833 1.00 0.00 C ATOM 618 C CYS A 45 -5.206 10.612 3.057 1.00 0.00 C ATOM 619 O CYS A 45 -5.484 9.570 3.622 1.00 0.00 O ATOM 620 CB CYS A 45 -3.458 12.411 3.129 1.00 0.00 C ATOM 621 SG CYS A 45 -2.385 11.087 2.501 1.00 0.00 S ATOM 0 H CYS A 45 -3.972 10.480 5.339 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.476 12.581 3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.774 13.051 2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.900 13.038 3.824 1.00 0.00 H new ATOM 626 N ALA A 46 -5.341 10.747 1.761 1.00 0.00 N ATOM 627 CA ALA A 46 -5.845 9.620 0.924 1.00 0.00 C ATOM 628 C ALA A 46 -4.954 9.477 -0.316 1.00 0.00 C ATOM 629 O ALA A 46 -5.370 8.962 -1.330 1.00 0.00 O ATOM 630 CB ALA A 46 -7.285 9.927 0.493 1.00 0.00 C ATOM 0 H ALA A 46 -5.121 11.599 1.245 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.824 8.691 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.664 9.109 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.913 10.039 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.303 10.851 -0.084 1.00 0.00 H new ATOM 636 N THR A 47 -3.733 9.927 -0.236 1.00 0.00 N ATOM 637 CA THR A 47 -2.817 9.815 -1.403 1.00 0.00 C ATOM 638 C THR A 47 -2.315 8.373 -1.518 1.00 0.00 C ATOM 639 O THR A 47 -1.905 7.931 -2.571 1.00 0.00 O ATOM 640 CB THR A 47 -1.623 10.757 -1.197 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.159 10.643 0.136 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.044 12.206 -1.475 1.00 0.00 C ATOM 0 H THR A 47 -3.330 10.369 0.590 1.00 0.00 H new ATOM 0 HA THR A 47 -3.347 10.088 -2.315 1.00 0.00 H new ATOM 0 HB THR A 47 -0.825 10.482 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.684 11.233 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.191 12.868 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.395 12.292 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.846 12.489 -0.793 1.00 0.00 H new ATOM 650 N CYS A 48 -2.334 7.644 -0.439 1.00 0.00 N ATOM 651 CA CYS A 48 -1.849 6.230 -0.457 1.00 0.00 C ATOM 652 C CYS A 48 -2.996 5.259 -0.789 1.00 0.00 C ATOM 653 O CYS A 48 -3.079 4.176 -0.249 1.00 0.00 O ATOM 654 CB CYS A 48 -1.251 5.891 0.899 1.00 0.00 C ATOM 655 SG CYS A 48 -2.405 6.390 2.194 1.00 0.00 S ATOM 0 H CYS A 48 -2.669 7.969 0.468 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.088 6.127 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.051 4.822 0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.297 6.402 1.028 1.00 0.00 H new ATOM 660 N HIS A 49 -3.881 5.647 -1.675 1.00 0.00 N ATOM 661 CA HIS A 49 -5.029 4.761 -2.063 1.00 0.00 C ATOM 662 C HIS A 49 -4.511 3.590 -2.916 1.00 0.00 C ATOM 663 O HIS A 49 -4.080 3.787 -4.029 1.00 0.00 O ATOM 664 CB HIS A 49 -5.999 5.601 -2.907 1.00 0.00 C ATOM 665 CG HIS A 49 -7.019 4.747 -3.629 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.847 3.814 -3.005 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.369 4.717 -4.956 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.644 3.275 -3.972 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.382 3.795 -5.157 1.00 0.00 N ATOM 0 H HIS A 49 -3.859 6.548 -2.152 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.522 4.366 -1.175 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.515 6.313 -2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.434 6.182 -3.636 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.855 3.579 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.920 5.323 -5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.394 2.519 -3.791 1.00 0.00 H new ATOM 678 N VAL A 50 -4.570 2.371 -2.418 1.00 0.00 N ATOM 679 CA VAL A 50 -4.097 1.215 -3.252 1.00 0.00 C ATOM 680 C VAL A 50 -4.954 -0.006 -2.934 1.00 0.00 C ATOM 681 O VAL A 50 -5.836 0.038 -2.103 1.00 0.00 O ATOM 682 CB VAL A 50 -2.602 0.906 -2.982 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.865 2.201 -2.643 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.444 -0.097 -1.821 1.00 0.00 C ATOM 0 H VAL A 50 -4.918 2.131 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.195 1.474 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.176 0.461 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.814 1.983 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.946 2.895 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.308 2.650 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.385 -0.296 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.882 0.323 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.952 -1.028 -2.073 1.00 0.00 H new ATOM 694 N TYR A 51 -4.709 -1.084 -3.617 1.00 0.00 N ATOM 695 CA TYR A 51 -5.499 -2.321 -3.413 1.00 0.00 C ATOM 696 C TYR A 51 -4.551 -3.471 -3.034 1.00 0.00 C ATOM 697 O TYR A 51 -3.726 -3.915 -3.812 1.00 0.00 O ATOM 698 CB TYR A 51 -6.207 -2.595 -4.725 1.00 0.00 C ATOM 699 CG TYR A 51 -7.177 -1.466 -4.998 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.459 -1.448 -4.417 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.783 -0.417 -5.837 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.328 -0.384 -4.695 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.652 0.632 -6.099 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.916 0.653 -5.540 1.00 0.00 C ATOM 705 OH TYR A 51 -9.760 1.696 -5.836 1.00 0.00 O ATOM 0 H TYR A 51 -3.977 -1.160 -4.324 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.226 -2.221 -2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.483 -2.675 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.738 -3.546 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.771 -2.248 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.799 -0.424 -6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.315 -0.364 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.338 1.439 -6.745 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.237 2.456 -6.168 1.00 0.00 H new ATOM 715 N VAL A 52 -4.701 -3.948 -1.834 1.00 0.00 N ATOM 716 CA VAL A 52 -3.859 -5.077 -1.338 1.00 0.00 C ATOM 717 C VAL A 52 -4.544 -6.392 -1.688 1.00 0.00 C ATOM 718 O VAL A 52 -5.712 -6.578 -1.411 1.00 0.00 O ATOM 719 CB VAL A 52 -3.700 -5.016 0.177 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.798 -6.163 0.638 1.00 0.00 C ATOM 721 CG2 VAL A 52 -3.075 -3.679 0.597 1.00 0.00 C ATOM 0 H VAL A 52 -5.383 -3.599 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.877 -5.005 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.683 -5.106 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.682 -6.122 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.248 -7.115 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.820 -6.070 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.968 -3.652 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.094 -3.574 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.718 -2.860 0.275 1.00 0.00 H new ATOM 731 N ASN A 53 -3.832 -7.316 -2.271 1.00 0.00 N ATOM 732 CA ASN A 53 -4.471 -8.621 -2.603 1.00 0.00 C ATOM 733 C ASN A 53 -5.196 -9.129 -1.351 1.00 0.00 C ATOM 734 O ASN A 53 -4.610 -9.264 -0.297 1.00 0.00 O ATOM 735 CB ASN A 53 -3.398 -9.617 -3.060 1.00 0.00 C ATOM 736 CG ASN A 53 -3.938 -11.050 -3.048 1.00 0.00 C ATOM 737 OD1 ASN A 53 -5.107 -11.277 -2.812 1.00 0.00 O ATOM 738 ND2 ASN A 53 -3.120 -12.035 -3.307 1.00 0.00 N ATOM 0 H ASN A 53 -2.849 -7.227 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.189 -8.506 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.062 -9.360 -4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.529 -9.547 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.463 -12.995 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.138 -11.844 -3.505 1.00 0.00 H new ATOM 745 N GLU A 54 -6.476 -9.355 -1.449 1.00 0.00 N ATOM 746 CA GLU A 54 -7.270 -9.807 -0.272 1.00 0.00 C ATOM 747 C GLU A 54 -6.595 -10.986 0.441 1.00 0.00 C ATOM 748 O GLU A 54 -7.092 -11.467 1.442 1.00 0.00 O ATOM 749 CB GLU A 54 -8.661 -10.239 -0.739 1.00 0.00 C ATOM 750 CG GLU A 54 -8.525 -11.237 -1.890 1.00 0.00 C ATOM 751 CD GLU A 54 -9.883 -11.883 -2.172 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.603 -12.134 -1.213 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.180 -12.119 -3.332 1.00 0.00 O ATOM 0 H GLU A 54 -7.014 -9.244 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.341 -8.976 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.209 -10.692 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.234 -9.370 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.160 -10.730 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.792 -12.003 -1.636 1.00 0.00 H new ATOM 760 N ALA A 55 -5.483 -11.470 -0.038 1.00 0.00 N ATOM 761 CA ALA A 55 -4.816 -12.627 0.626 1.00 0.00 C ATOM 762 C ALA A 55 -3.829 -12.151 1.701 1.00 0.00 C ATOM 763 O ALA A 55 -3.388 -12.934 2.513 1.00 0.00 O ATOM 764 CB ALA A 55 -4.062 -13.456 -0.409 1.00 0.00 C ATOM 0 H ALA A 55 -5.004 -11.113 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.588 -13.234 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.577 -14.299 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.762 -13.826 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.307 -12.836 -0.892 1.00 0.00 H new ATOM 770 N PHE A 56 -3.458 -10.892 1.728 1.00 0.00 N ATOM 771 CA PHE A 56 -2.488 -10.381 2.741 1.00 0.00 C ATOM 772 C PHE A 56 -3.231 -9.399 3.654 1.00 0.00 C ATOM 773 O PHE A 56 -2.716 -8.920 4.643 1.00 0.00 O ATOM 774 CB PHE A 56 -1.375 -9.665 1.969 1.00 0.00 C ATOM 775 CG PHE A 56 -0.560 -10.715 1.248 1.00 0.00 C ATOM 776 CD1 PHE A 56 -1.105 -11.402 0.154 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.724 -11.026 1.686 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.363 -12.405 -0.474 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.464 -12.014 1.060 1.00 0.00 C ATOM 780 CZ PHE A 56 0.922 -12.714 -0.024 1.00 0.00 C ATOM 0 H PHE A 56 -3.796 -10.185 1.075 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.063 -11.178 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.799 -8.956 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.744 -9.094 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.095 -11.157 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.147 -10.491 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.785 -12.943 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.460 -12.245 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.495 -13.490 -0.510 1.00 0.00 H new ATOM 790 N THR A 57 -4.447 -9.099 3.296 1.00 0.00 N ATOM 791 CA THR A 57 -5.276 -8.138 4.088 1.00 0.00 C ATOM 792 C THR A 57 -5.735 -8.769 5.404 1.00 0.00 C ATOM 793 O THR A 57 -5.809 -8.108 6.420 1.00 0.00 O ATOM 794 CB THR A 57 -6.521 -7.756 3.277 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.111 -8.930 2.737 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.134 -6.809 2.152 1.00 0.00 C ATOM 0 H THR A 57 -4.913 -9.484 2.474 1.00 0.00 H new ATOM 0 HA THR A 57 -4.668 -7.259 4.304 1.00 0.00 H new ATOM 0 HB THR A 57 -7.238 -7.257 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.045 -8.749 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.022 -6.541 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.688 -5.908 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.414 -7.298 1.496 1.00 0.00 H new ATOM 804 N ASP A 58 -6.072 -10.031 5.395 1.00 0.00 N ATOM 805 CA ASP A 58 -6.554 -10.676 6.649 1.00 0.00 C ATOM 806 C ASP A 58 -5.378 -11.212 7.456 1.00 0.00 C ATOM 807 O ASP A 58 -5.548 -11.775 8.520 1.00 0.00 O ATOM 808 CB ASP A 58 -7.504 -11.825 6.307 1.00 0.00 C ATOM 809 CG ASP A 58 -6.770 -12.853 5.441 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.508 -12.551 4.290 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.481 -13.924 5.949 1.00 0.00 O ATOM 0 H ASP A 58 -6.034 -10.640 4.578 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.081 -9.931 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.866 -12.296 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.377 -11.444 5.777 1.00 0.00 H new ATOM 816 N LYS A 59 -4.187 -11.039 6.960 1.00 0.00 N ATOM 817 CA LYS A 59 -2.986 -11.534 7.685 1.00 0.00 C ATOM 818 C LYS A 59 -2.232 -10.336 8.279 1.00 0.00 C ATOM 819 O LYS A 59 -1.830 -10.344 9.421 1.00 0.00 O ATOM 820 CB LYS A 59 -2.110 -12.298 6.694 1.00 0.00 C ATOM 821 CG LYS A 59 -3.002 -13.050 5.684 1.00 0.00 C ATOM 822 CD LYS A 59 -2.221 -14.221 5.049 1.00 0.00 C ATOM 823 CE LYS A 59 -2.248 -15.454 5.973 1.00 0.00 C ATOM 824 NZ LYS A 59 -3.461 -16.268 5.681 1.00 0.00 N ATOM 0 H LYS A 59 -3.992 -10.571 6.075 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.266 -12.201 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.451 -11.607 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.472 -13.004 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.893 -13.428 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.340 -12.365 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.657 -14.474 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.190 -13.920 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.350 -16.054 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.251 -15.139 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.479 -17.100 6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.312 -15.694 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.440 -16.579 4.689 1.00 0.00 H new ATOM 838 N VAL A 60 -2.046 -9.309 7.504 1.00 0.00 N ATOM 839 CA VAL A 60 -1.328 -8.102 8.010 1.00 0.00 C ATOM 840 C VAL A 60 -2.288 -7.409 9.013 1.00 0.00 C ATOM 841 O VAL A 60 -3.453 -7.743 9.072 1.00 0.00 O ATOM 842 CB VAL A 60 -0.923 -7.232 6.774 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.826 -5.990 6.625 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.594 -6.829 6.794 1.00 0.00 C ATOM 0 H VAL A 60 -2.361 -9.249 6.536 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.401 -8.316 8.542 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.075 -7.861 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.511 -5.413 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.861 -6.306 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.745 -5.372 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.822 -6.227 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.805 -6.252 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.210 -7.729 6.787 1.00 0.00 H new ATOM 854 N PRO A 61 -1.809 -6.518 9.860 1.00 0.00 N ATOM 855 CA PRO A 61 -2.670 -5.883 10.912 1.00 0.00 C ATOM 856 C PRO A 61 -3.886 -5.111 10.362 1.00 0.00 C ATOM 857 O PRO A 61 -3.763 -4.122 9.665 1.00 0.00 O ATOM 858 CB PRO A 61 -1.715 -4.962 11.701 1.00 0.00 C ATOM 859 CG PRO A 61 -0.468 -4.830 10.874 1.00 0.00 C ATOM 860 CD PRO A 61 -0.426 -6.018 9.897 1.00 0.00 C ATOM 0 HA PRO A 61 -3.130 -6.651 11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.171 -3.987 11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.488 -5.385 12.680 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.469 -3.886 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.416 -4.828 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.091 -5.706 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.265 -6.788 10.239 1.00 0.00 H new ATOM 868 N ALA A 62 -5.061 -5.587 10.698 1.00 0.00 N ATOM 869 CA ALA A 62 -6.325 -4.958 10.264 1.00 0.00 C ATOM 870 C ALA A 62 -6.221 -3.446 10.298 1.00 0.00 C ATOM 871 O ALA A 62 -5.787 -2.843 11.263 1.00 0.00 O ATOM 872 CB ALA A 62 -7.451 -5.400 11.189 1.00 0.00 C ATOM 0 H ALA A 62 -5.188 -6.417 11.277 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.530 -5.270 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.386 -4.937 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.551 -6.485 11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.224 -5.095 12.210 1.00 0.00 H new ATOM 878 N ALA A 63 -6.635 -2.849 9.242 1.00 0.00 N ATOM 879 CA ALA A 63 -6.605 -1.364 9.130 1.00 0.00 C ATOM 880 C ALA A 63 -7.375 -0.725 10.293 1.00 0.00 C ATOM 881 O ALA A 63 -8.361 -1.249 10.773 1.00 0.00 O ATOM 882 CB ALA A 63 -7.256 -0.951 7.811 1.00 0.00 C ATOM 0 H ALA A 63 -7.006 -3.329 8.422 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.569 -1.025 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.238 0.135 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.706 -1.393 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.288 -1.300 7.790 1.00 0.00 H new ATOM 888 N ASN A 64 -6.900 0.398 10.762 1.00 0.00 N ATOM 889 CA ASN A 64 -7.566 1.081 11.919 1.00 0.00 C ATOM 890 C ASN A 64 -8.721 1.956 11.423 1.00 0.00 C ATOM 891 O ASN A 64 -8.811 2.298 10.264 1.00 0.00 O ATOM 892 CB ASN A 64 -6.549 1.951 12.684 1.00 0.00 C ATOM 893 CG ASN A 64 -5.443 2.408 11.736 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.847 1.603 11.046 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.137 3.676 11.672 1.00 0.00 N ATOM 0 H ASN A 64 -6.077 0.876 10.395 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.958 0.318 12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.050 2.817 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.121 1.384 13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.398 3.991 11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.637 4.351 12.251 1.00 0.00 H new ATOM 902 N GLU A 65 -9.608 2.301 12.314 1.00 0.00 N ATOM 903 CA GLU A 65 -10.787 3.135 11.952 1.00 0.00 C ATOM 904 C GLU A 65 -10.357 4.457 11.317 1.00 0.00 C ATOM 905 O GLU A 65 -11.139 5.102 10.651 1.00 0.00 O ATOM 906 CB GLU A 65 -11.619 3.422 13.204 1.00 0.00 C ATOM 907 CG GLU A 65 -10.806 4.263 14.192 1.00 0.00 C ATOM 908 CD GLU A 65 -11.486 4.228 15.559 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.581 3.150 16.121 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.906 5.278 16.020 1.00 0.00 O ATOM 0 H GLU A 65 -9.564 2.034 13.298 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.382 2.581 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.533 3.950 12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.920 2.485 13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.790 3.876 14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.730 5.291 13.837 1.00 0.00 H new ATOM 917 N ARG A 66 -9.136 4.881 11.500 1.00 0.00 N ATOM 918 CA ARG A 66 -8.722 6.158 10.870 1.00 0.00 C ATOM 919 C ARG A 66 -8.635 5.957 9.360 1.00 0.00 C ATOM 920 O ARG A 66 -8.956 6.836 8.588 1.00 0.00 O ATOM 921 CB ARG A 66 -7.352 6.569 11.421 1.00 0.00 C ATOM 922 CG ARG A 66 -7.522 7.199 12.819 1.00 0.00 C ATOM 923 CD ARG A 66 -6.169 7.282 13.568 1.00 0.00 C ATOM 924 NE ARG A 66 -5.951 8.700 14.004 1.00 0.00 N ATOM 925 CZ ARG A 66 -4.825 9.339 13.764 1.00 0.00 C ATOM 926 NH1 ARG A 66 -3.817 8.741 13.177 1.00 0.00 N ATOM 927 NH2 ARG A 66 -4.713 10.584 14.130 1.00 0.00 N ATOM 0 H ARG A 66 -8.421 4.405 12.050 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.447 6.941 11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.697 5.700 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.876 7.281 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.947 8.198 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.228 6.608 13.403 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.173 6.617 14.432 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.356 6.956 12.919 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.698 9.184 14.502 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.897 7.763 12.897 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.953 9.253 13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.491 11.051 14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.847 11.092 13.951 1.00 0.00 H new ATOM 941 N GLU A 67 -8.207 4.799 8.936 1.00 0.00 N ATOM 942 CA GLU A 67 -8.087 4.521 7.475 1.00 0.00 C ATOM 943 C GLU A 67 -9.468 4.315 6.846 1.00 0.00 C ATOM 944 O GLU A 67 -9.735 4.782 5.762 1.00 0.00 O ATOM 945 CB GLU A 67 -7.253 3.256 7.266 1.00 0.00 C ATOM 946 CG GLU A 67 -5.985 3.328 8.123 1.00 0.00 C ATOM 947 CD GLU A 67 -5.068 2.159 7.762 1.00 0.00 C ATOM 948 OE1 GLU A 67 -4.617 2.111 6.630 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.832 1.329 8.626 1.00 0.00 O ATOM 0 H GLU A 67 -7.933 4.027 9.544 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.606 5.375 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.836 2.375 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.987 3.153 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.471 4.274 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.244 3.290 9.181 1.00 0.00 H new ATOM 956 N ILE A 68 -10.350 3.619 7.506 1.00 0.00 N ATOM 957 CA ILE A 68 -11.705 3.399 6.919 1.00 0.00 C ATOM 958 C ILE A 68 -12.306 4.754 6.534 1.00 0.00 C ATOM 959 O ILE A 68 -13.035 4.867 5.570 1.00 0.00 O ATOM 960 CB ILE A 68 -12.600 2.677 7.950 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.319 1.166 7.922 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.086 2.902 7.632 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.814 0.899 7.996 1.00 0.00 C ATOM 0 H ILE A 68 -10.195 3.195 8.421 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.634 2.777 6.027 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.374 3.084 8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.822 0.681 8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.727 0.731 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.698 2.385 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.307 3.969 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.309 2.512 6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.634 -0.176 7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.319 1.367 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.416 1.316 8.921 1.00 0.00 H new ATOM 975 N GLY A 69 -12.017 5.780 7.286 1.00 0.00 N ATOM 976 CA GLY A 69 -12.586 7.120 6.962 1.00 0.00 C ATOM 977 C GLY A 69 -11.750 7.804 5.884 1.00 0.00 C ATOM 978 O GLY A 69 -12.276 8.491 5.026 1.00 0.00 O ATOM 0 H GLY A 69 -11.414 5.750 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.615 7.012 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.611 7.738 7.859 1.00 0.00 H new ATOM 982 N MET A 70 -10.459 7.603 5.873 1.00 0.00 N ATOM 983 CA MET A 70 -9.615 8.224 4.814 1.00 0.00 C ATOM 984 C MET A 70 -9.706 7.350 3.562 1.00 0.00 C ATOM 985 O MET A 70 -9.651 7.822 2.447 1.00 0.00 O ATOM 986 CB MET A 70 -8.159 8.293 5.290 1.00 0.00 C ATOM 987 CG MET A 70 -7.983 9.477 6.247 1.00 0.00 C ATOM 988 SD MET A 70 -6.305 9.466 6.931 1.00 0.00 S ATOM 989 CE MET A 70 -6.601 8.302 8.286 1.00 0.00 C ATOM 0 H MET A 70 -9.953 7.035 6.553 1.00 0.00 H new ATOM 0 HA MET A 70 -9.962 9.234 4.597 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.886 7.364 5.791 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.492 8.402 4.435 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.165 10.413 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.715 9.418 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.728 8.273 8.938 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.471 8.624 8.858 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.782 7.307 7.878 1.00 0.00 H new ATOM 999 N LEU A 71 -9.838 6.071 3.761 1.00 0.00 N ATOM 1000 CA LEU A 71 -9.926 5.118 2.628 1.00 0.00 C ATOM 1001 C LEU A 71 -11.262 5.340 1.905 1.00 0.00 C ATOM 1002 O LEU A 71 -11.367 5.180 0.712 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.783 3.691 3.197 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.876 2.590 2.119 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -11.348 2.302 1.748 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.059 2.990 0.872 1.00 0.00 C ATOM 0 H LEU A 71 -9.890 5.638 4.683 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.132 5.270 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.825 3.607 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.560 3.526 3.943 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.452 1.672 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.386 1.523 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.888 1.970 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.810 3.210 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.134 2.204 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.451 3.921 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.014 3.127 1.150 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.275 5.757 2.617 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.581 6.039 1.964 1.00 0.00 C ATOM 1020 C GLU A 72 -13.483 7.412 1.283 1.00 0.00 C ATOM 1021 O GLU A 72 -14.403 7.878 0.638 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.682 6.069 3.029 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.993 6.592 2.426 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.175 6.151 3.300 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.401 6.779 4.318 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.832 5.193 2.927 1.00 0.00 O ATOM 0 H GLU A 72 -12.252 5.914 3.625 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.818 5.269 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.834 5.068 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.377 6.705 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.965 7.679 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.116 6.211 1.412 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.359 8.066 1.460 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.156 9.433 0.872 1.00 0.00 C ATOM 1035 C CYS A 73 -11.207 9.381 -0.339 1.00 0.00 C ATOM 1036 O CYS A 73 -10.734 10.405 -0.795 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.578 10.360 1.967 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.710 11.745 2.280 1.00 0.00 S ATOM 0 H CYS A 73 -11.565 7.709 1.992 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.113 9.819 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.421 9.795 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.605 10.740 1.656 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.212 12.513 3.203 1.00 0.00 H new ATOM 1044 N VAL A 74 -10.924 8.223 -0.879 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.013 8.166 -2.062 1.00 0.00 C ATOM 1046 C VAL A 74 -10.792 8.574 -3.317 1.00 0.00 C ATOM 1047 O VAL A 74 -11.988 8.785 -3.266 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.455 6.752 -2.197 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -8.722 6.388 -0.910 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.588 5.756 -2.407 1.00 0.00 C ATOM 0 H VAL A 74 -11.280 7.323 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.179 8.856 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.779 6.715 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.318 5.379 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.907 7.092 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.416 6.432 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.176 4.751 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.266 5.791 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.134 6.012 -3.315 1.00 0.00 H new ATOM 1060 N THR A 75 -10.125 8.733 -4.441 1.00 0.00 N ATOM 1061 CA THR A 75 -10.839 9.183 -5.686 1.00 0.00 C ATOM 1062 C THR A 75 -11.155 8.020 -6.633 1.00 0.00 C ATOM 1063 O THR A 75 -12.000 8.158 -7.499 1.00 0.00 O ATOM 1064 CB THR A 75 -9.972 10.201 -6.429 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.716 11.310 -5.582 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.711 10.677 -7.688 1.00 0.00 C ATOM 0 H THR A 75 -9.124 8.572 -4.550 1.00 0.00 H new ATOM 0 HA THR A 75 -11.784 9.627 -5.374 1.00 0.00 H new ATOM 0 HB THR A 75 -9.028 9.737 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.975 11.837 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.095 11.403 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.909 9.825 -8.338 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.654 11.142 -7.402 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.515 6.880 -6.513 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.838 5.755 -7.460 1.00 0.00 C ATOM 1076 C ALA A 76 -11.946 4.885 -6.843 1.00 0.00 C ATOM 1077 O ALA A 76 -12.495 5.201 -5.802 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.566 4.917 -7.724 1.00 0.00 C ATOM 0 H ALA A 76 -9.797 6.678 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.189 6.154 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.802 4.103 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.797 5.552 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.200 4.504 -6.784 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.312 3.823 -7.506 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.420 2.941 -7.026 1.00 0.00 C ATOM 1086 C GLU A 77 -12.993 2.128 -5.798 1.00 0.00 C ATOM 1087 O GLU A 77 -11.972 1.487 -5.794 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.782 2.036 -8.240 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.873 0.535 -7.910 1.00 0.00 C ATOM 1090 CD GLU A 77 -15.093 0.278 -7.032 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.695 1.244 -6.585 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.409 -0.880 -6.811 1.00 0.00 O ATOM 0 H GLU A 77 -11.881 3.521 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.286 3.515 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.737 2.364 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.034 2.179 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.945 -0.046 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.968 0.209 -7.397 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.772 2.137 -4.763 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.391 1.351 -3.553 1.00 0.00 C ATOM 1101 C LEU A 78 -13.598 -0.129 -3.818 1.00 0.00 C ATOM 1102 O LEU A 78 -14.263 -0.543 -4.743 1.00 0.00 O ATOM 1103 CB LEU A 78 -14.242 1.807 -2.346 1.00 0.00 C ATOM 1104 CG LEU A 78 -13.334 2.210 -1.166 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -12.669 3.580 -1.453 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -14.183 2.266 0.118 1.00 0.00 C ATOM 0 H LEU A 78 -14.652 2.649 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.339 1.522 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.870 2.650 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.910 1.002 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.541 1.474 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.030 3.857 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.068 3.510 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.441 4.338 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.551 2.550 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.978 3.001 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.621 1.286 0.308 1.00 0.00 H new ATOM 1118 N LYS A 79 -13.005 -0.919 -2.989 1.00 0.00 N ATOM 1119 CA LYS A 79 -13.098 -2.388 -3.128 1.00 0.00 C ATOM 1120 C LYS A 79 -13.452 -2.948 -1.750 1.00 0.00 C ATOM 1121 O LYS A 79 -13.191 -2.319 -0.741 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.717 -2.887 -3.541 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.548 -2.828 -5.072 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.216 -4.042 -5.729 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.813 -4.107 -7.205 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.281 -5.396 -7.796 1.00 0.00 N ATOM 0 H LYS A 79 -12.444 -0.602 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.844 -2.692 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.948 -2.280 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.577 -3.911 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.989 -1.909 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.488 -2.805 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.916 -4.957 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.300 -3.968 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.247 -3.268 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.730 -4.023 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.006 -5.438 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.847 -6.190 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.316 -5.458 -7.718 1.00 0.00 H new ATOM 1140 N PRO A 80 -14.021 -4.117 -1.681 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.370 -4.723 -0.379 1.00 0.00 C ATOM 1142 C PRO A 80 -13.143 -4.708 0.526 1.00 0.00 C ATOM 1143 O PRO A 80 -13.244 -4.524 1.722 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.822 -6.160 -0.726 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.435 -6.371 -2.161 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.385 -4.986 -2.806 1.00 0.00 C ATOM 0 HA PRO A 80 -15.154 -4.189 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.337 -6.890 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.897 -6.276 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.467 -6.867 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.159 -7.009 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.648 -4.940 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.345 -4.706 -3.239 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.977 -4.893 -0.045 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.709 -4.887 0.741 1.00 0.00 C ATOM 1156 C ASN A 81 -9.814 -3.710 0.319 1.00 0.00 C ATOM 1157 O ASN A 81 -8.604 -3.824 0.274 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.980 -6.241 0.575 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.032 -6.235 -0.632 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.891 -6.635 -0.510 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.451 -5.806 -1.788 1.00 0.00 N ATOM 0 H ASN A 81 -11.852 -5.051 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.945 -4.755 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.414 -6.462 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.715 -7.037 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.822 -5.806 -2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.409 -5.470 -1.891 1.00 0.00 H new ATOM 1168 N SER A 82 -10.387 -2.561 0.054 1.00 0.00 N ATOM 1169 CA SER A 82 -9.580 -1.368 -0.295 1.00 0.00 C ATOM 1170 C SER A 82 -8.812 -0.944 0.958 1.00 0.00 C ATOM 1171 O SER A 82 -9.324 -1.029 2.058 1.00 0.00 O ATOM 1172 CB SER A 82 -10.542 -0.252 -0.729 1.00 0.00 C ATOM 1173 OG SER A 82 -10.199 0.162 -2.043 1.00 0.00 O ATOM 0 H SER A 82 -11.395 -2.405 0.067 1.00 0.00 H new ATOM 0 HA SER A 82 -8.880 -1.576 -1.104 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.571 -0.610 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.479 0.590 -0.039 1.00 0.00 H new ATOM 0 HG SER A 82 -9.801 -0.590 -2.529 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.585 -0.527 0.821 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.802 -0.146 2.046 1.00 0.00 C ATOM 1181 C ARG A 83 -5.740 0.889 1.706 1.00 0.00 C ATOM 1182 O ARG A 83 -5.366 1.066 0.561 1.00 0.00 O ATOM 1183 CB ARG A 83 -6.087 -1.377 2.624 1.00 0.00 C ATOM 1184 CG ARG A 83 -7.103 -2.448 3.034 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.379 -3.608 3.735 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.164 -3.281 5.172 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.886 -4.236 6.014 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.788 -5.471 5.607 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -5.701 -3.958 7.269 1.00 0.00 N ATOM 0 H ARG A 83 -7.091 -0.432 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.505 0.264 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.399 -1.785 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.490 -1.085 3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.851 -2.018 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.633 -2.815 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.967 -4.521 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.422 -3.796 3.249 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.234 -2.316 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.929 -5.696 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.570 -6.212 6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.773 -2.994 7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.483 -4.704 7.930 1.00 0.00 H new ATOM 1203 N LEU A 84 -5.230 1.550 2.711 1.00 0.00 N ATOM 1204 CA LEU A 84 -4.165 2.561 2.486 1.00 0.00 C ATOM 1205 C LEU A 84 -2.814 1.840 2.505 1.00 0.00 C ATOM 1206 O LEU A 84 -2.727 0.698 2.915 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.240 3.615 3.595 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.615 4.304 3.562 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.718 5.283 4.735 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.803 5.077 2.246 1.00 0.00 C ATOM 0 H LEU A 84 -5.510 1.429 3.684 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.291 3.062 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.080 3.147 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.449 4.353 3.463 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.390 3.541 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.691 5.773 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.604 4.740 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.932 6.033 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.782 5.557 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.026 5.836 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.735 4.386 1.405 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.767 2.475 2.034 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.425 1.800 1.983 1.00 0.00 C ATOM 1224 C CYS A 85 0.539 2.349 3.052 1.00 0.00 C ATOM 1225 O CYS A 85 1.601 1.799 3.254 1.00 0.00 O ATOM 1226 CB CYS A 85 0.171 2.022 0.577 1.00 0.00 C ATOM 1227 SG CYS A 85 1.133 0.571 0.084 1.00 0.00 S ATOM 0 H CYS A 85 -1.781 3.432 1.682 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.558 0.738 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.628 2.202 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.806 2.908 0.577 1.00 0.00 H new ATOM 0 HG CYS A 85 1.631 0.763 -1.102 1.00 0.00 H new ATOM 1233 N CYS A 86 0.210 3.428 3.719 1.00 0.00 N ATOM 1234 CA CYS A 86 1.169 3.966 4.737 1.00 0.00 C ATOM 1235 C CYS A 86 0.992 3.249 6.082 1.00 0.00 C ATOM 1236 O CYS A 86 1.918 3.161 6.868 1.00 0.00 O ATOM 1237 CB CYS A 86 0.975 5.477 4.932 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.729 5.847 5.405 1.00 0.00 S ATOM 0 H CYS A 86 -0.659 3.950 3.608 1.00 0.00 H new ATOM 0 HA CYS A 86 2.178 3.786 4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.658 5.840 5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.224 6.003 4.010 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.180 2.733 6.366 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.392 2.022 7.673 1.00 0.00 C ATOM 1245 C GLN A 87 -0.203 0.504 7.491 1.00 0.00 C ATOM 1246 O GLN A 87 -0.543 -0.283 8.350 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.813 2.321 8.189 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.845 2.221 9.723 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.081 3.401 10.327 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -0.555 4.228 9.605 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.994 3.516 11.622 1.00 0.00 N ATOM 0 H GLN A 87 -0.996 2.771 5.755 1.00 0.00 H new ATOM 0 HA GLN A 87 0.340 2.376 8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.121 3.318 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.523 1.616 7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.876 2.222 10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.398 1.281 10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.435 2.823 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.485 4.299 12.031 1.00 0.00 H new ATOM 1260 N ILE A 88 0.355 0.096 6.380 1.00 0.00 N ATOM 1261 CA ILE A 88 0.588 -1.372 6.135 1.00 0.00 C ATOM 1262 C ILE A 88 2.041 -1.720 6.494 1.00 0.00 C ATOM 1263 O ILE A 88 2.969 -1.181 5.938 1.00 0.00 O ATOM 1264 CB ILE A 88 0.298 -1.712 4.663 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.211 -1.512 4.367 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.714 -3.161 4.379 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.036 -2.755 4.751 1.00 0.00 C ATOM 0 H ILE A 88 0.662 0.712 5.627 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.084 -1.960 6.760 1.00 0.00 H new ATOM 0 HB ILE A 88 0.871 -1.049 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.579 -0.647 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.349 -1.297 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.508 -3.401 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.780 -3.279 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.150 -3.835 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.088 -2.576 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.686 -3.615 4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.919 -2.955 5.816 1.00 0.00 H new ATOM 1279 N ILE A 89 2.229 -2.603 7.450 1.00 0.00 N ATOM 1280 CA ILE A 89 3.612 -2.982 7.907 1.00 0.00 C ATOM 1281 C ILE A 89 4.056 -4.295 7.267 1.00 0.00 C ATOM 1282 O ILE A 89 3.419 -5.316 7.432 1.00 0.00 O ATOM 1283 CB ILE A 89 3.593 -3.198 9.422 1.00 0.00 C ATOM 1284 CG1 ILE A 89 2.967 -1.985 10.127 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.021 -3.417 9.938 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.670 -0.695 9.700 1.00 0.00 C ATOM 0 H ILE A 89 1.475 -3.084 7.940 1.00 0.00 H new ATOM 0 HA ILE A 89 4.296 -2.182 7.622 1.00 0.00 H new ATOM 0 HB ILE A 89 2.992 -4.081 9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.906 -1.925 9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.042 -2.106 11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.999 -3.570 11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.451 -4.295 9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.629 -2.542 9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.214 0.154 10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.726 -0.752 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.572 -0.567 8.622 1.00 0.00 H new ATOM 1298 N MET A 90 5.135 -4.285 6.531 1.00 0.00 N ATOM 1299 CA MET A 90 5.577 -5.547 5.886 1.00 0.00 C ATOM 1300 C MET A 90 6.250 -6.456 6.910 1.00 0.00 C ATOM 1301 O MET A 90 6.784 -6.017 7.912 1.00 0.00 O ATOM 1302 CB MET A 90 6.535 -5.260 4.724 1.00 0.00 C ATOM 1303 CG MET A 90 6.307 -6.305 3.623 1.00 0.00 C ATOM 1304 SD MET A 90 4.657 -6.046 2.910 1.00 0.00 S ATOM 1305 CE MET A 90 3.947 -7.679 3.259 1.00 0.00 C ATOM 0 H MET A 90 5.720 -3.469 6.352 1.00 0.00 H new ATOM 0 HA MET A 90 4.697 -6.053 5.488 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.364 -4.257 4.333 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.568 -5.296 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.071 -6.214 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.388 -7.311 4.034 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.871 -7.652 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.400 -8.421 2.601 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.144 -7.947 4.297 1.00 0.00 H new ATOM 1315 N THR A 91 6.225 -7.726 6.644 1.00 0.00 N ATOM 1316 CA THR A 91 6.852 -8.724 7.552 1.00 0.00 C ATOM 1317 C THR A 91 7.292 -9.911 6.695 1.00 0.00 C ATOM 1318 O THR A 91 6.687 -10.195 5.678 1.00 0.00 O ATOM 1319 CB THR A 91 5.827 -9.199 8.584 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.596 -9.479 7.932 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.611 -8.119 9.639 1.00 0.00 C ATOM 0 H THR A 91 5.786 -8.127 5.815 1.00 0.00 H new ATOM 0 HA THR A 91 7.701 -8.285 8.076 1.00 0.00 H new ATOM 0 HB THR A 91 6.198 -10.102 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.939 -9.785 8.591 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.880 -8.465 10.370 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.555 -7.908 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.244 -7.211 9.160 1.00 0.00 H new ATOM 1329 N PRO A 92 8.336 -10.598 7.075 1.00 0.00 N ATOM 1330 CA PRO A 92 8.839 -11.755 6.286 1.00 0.00 C ATOM 1331 C PRO A 92 7.756 -12.821 6.076 1.00 0.00 C ATOM 1332 O PRO A 92 7.626 -13.376 4.998 1.00 0.00 O ATOM 1333 CB PRO A 92 10.017 -12.300 7.121 1.00 0.00 C ATOM 1334 CG PRO A 92 9.851 -11.703 8.485 1.00 0.00 C ATOM 1335 CD PRO A 92 9.145 -10.368 8.277 1.00 0.00 C ATOM 0 HA PRO A 92 9.141 -11.464 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.997 -13.389 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.974 -12.016 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.264 -12.358 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.817 -11.562 8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.526 -10.103 9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.856 -9.555 8.134 1.00 0.00 H new ATOM 1343 N GLU A 93 6.989 -13.123 7.082 1.00 0.00 N ATOM 1344 CA GLU A 93 5.936 -14.162 6.920 1.00 0.00 C ATOM 1345 C GLU A 93 4.994 -13.769 5.769 1.00 0.00 C ATOM 1346 O GLU A 93 4.551 -14.609 5.015 1.00 0.00 O ATOM 1347 CB GLU A 93 5.148 -14.307 8.224 1.00 0.00 C ATOM 1348 CG GLU A 93 4.878 -12.924 8.811 1.00 0.00 C ATOM 1349 CD GLU A 93 3.828 -13.039 9.913 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.205 -13.351 11.035 1.00 0.00 O ATOM 1351 OE2 GLU A 93 2.665 -12.815 9.628 1.00 0.00 O ATOM 0 H GLU A 93 7.044 -12.698 8.007 1.00 0.00 H new ATOM 0 HA GLU A 93 6.403 -15.118 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.207 -14.825 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.709 -14.913 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.799 -12.501 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.530 -12.247 8.031 1.00 0.00 H new ATOM 1358 N LEU A 94 4.668 -12.504 5.638 1.00 0.00 N ATOM 1359 CA LEU A 94 3.742 -12.088 4.540 1.00 0.00 C ATOM 1360 C LEU A 94 4.554 -11.768 3.280 1.00 0.00 C ATOM 1361 O LEU A 94 4.086 -11.108 2.375 1.00 0.00 O ATOM 1362 CB LEU A 94 2.916 -10.847 4.975 1.00 0.00 C ATOM 1363 CG LEU A 94 1.414 -11.204 5.062 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.123 -11.981 6.360 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.564 -9.927 5.022 1.00 0.00 C ATOM 0 H LEU A 94 5.000 -11.749 6.239 1.00 0.00 H new ATOM 0 HA LEU A 94 3.052 -12.904 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.268 -10.489 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.063 -10.036 4.262 1.00 0.00 H new ATOM 0 HG LEU A 94 1.157 -11.831 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.062 -12.226 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.708 -12.901 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.393 -11.367 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.492 -10.191 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.828 -9.287 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.751 -9.395 4.089 1.00 0.00 H new ATOM 1377 N ASP A 95 5.770 -12.206 3.215 1.00 0.00 N ATOM 1378 CA ASP A 95 6.587 -11.914 2.006 1.00 0.00 C ATOM 1379 C ASP A 95 5.824 -12.373 0.754 1.00 0.00 C ATOM 1380 O ASP A 95 5.235 -13.435 0.729 1.00 0.00 O ATOM 1381 CB ASP A 95 7.914 -12.673 2.093 1.00 0.00 C ATOM 1382 CG ASP A 95 7.645 -14.179 2.101 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.816 -14.609 2.892 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.276 -14.877 1.326 1.00 0.00 O ATOM 0 H ASP A 95 6.237 -12.751 3.940 1.00 0.00 H new ATOM 0 HA ASP A 95 6.781 -10.843 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.550 -12.412 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.451 -12.385 2.997 1.00 0.00 H new ATOM 1389 N GLY A 96 5.849 -11.588 -0.286 1.00 0.00 N ATOM 1390 CA GLY A 96 5.156 -11.965 -1.568 1.00 0.00 C ATOM 1391 C GLY A 96 3.880 -11.133 -1.751 1.00 0.00 C ATOM 1392 O GLY A 96 3.139 -11.323 -2.694 1.00 0.00 O ATOM 0 H GLY A 96 6.325 -10.686 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.827 -11.804 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.907 -13.026 -1.556 1.00 0.00 H new ATOM 1396 N ILE A 97 3.582 -10.270 -0.823 1.00 0.00 N ATOM 1397 CA ILE A 97 2.306 -9.485 -0.907 1.00 0.00 C ATOM 1398 C ILE A 97 2.162 -8.775 -2.253 1.00 0.00 C ATOM 1399 O ILE A 97 3.089 -8.181 -2.761 1.00 0.00 O ATOM 1400 CB ILE A 97 2.244 -8.475 0.249 1.00 0.00 C ATOM 1401 CG1 ILE A 97 0.843 -7.818 0.313 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.347 -7.409 0.141 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.640 -6.691 -0.699 1.00 0.00 C ATOM 0 H ILE A 97 4.162 -10.069 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 97 1.472 -10.182 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 97 2.418 -9.021 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.086 -8.584 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.683 -7.425 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.266 -6.716 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.324 -7.892 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.234 -6.862 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.365 -6.282 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.373 -5.904 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.767 -7.082 -1.709 1.00 0.00 H new ATOM 1415 N VAL A 98 0.990 -8.850 -2.851 1.00 0.00 N ATOM 1416 CA VAL A 98 0.766 -8.188 -4.178 1.00 0.00 C ATOM 1417 C VAL A 98 -0.058 -6.908 -3.982 1.00 0.00 C ATOM 1418 O VAL A 98 -1.214 -6.958 -3.609 1.00 0.00 O ATOM 1419 CB VAL A 98 0.007 -9.150 -5.096 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.183 -8.735 -6.555 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.548 -10.567 -4.895 1.00 0.00 C ATOM 0 H VAL A 98 0.180 -9.342 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 98 1.726 -7.932 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.054 -9.121 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.361 -9.427 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.206 -7.726 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.242 -8.755 -6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.011 -11.257 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.610 -10.589 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.409 -10.866 -3.856 1.00 0.00 H new ATOM 1431 N VAL A 99 0.526 -5.760 -4.217 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.204 -4.469 -4.037 1.00 0.00 C ATOM 1433 C VAL A 99 -0.677 -3.958 -5.398 1.00 0.00 C ATOM 1434 O VAL A 99 0.100 -3.810 -6.322 1.00 0.00 O ATOM 1435 CB VAL A 99 0.751 -3.399 -3.462 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.071 -2.321 -2.747 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.753 -4.007 -2.472 1.00 0.00 C ATOM 0 H VAL A 99 1.492 -5.662 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.044 -4.640 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 99 1.312 -2.967 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.598 -1.564 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.756 -1.856 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.641 -2.776 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.407 -3.224 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.213 -4.466 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.351 -4.764 -2.979 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.933 -3.683 -5.518 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.485 -3.173 -6.811 1.00 0.00 C ATOM 1449 C ASP A 100 -2.678 -1.658 -6.694 1.00 0.00 C ATOM 1450 O ASP A 100 -3.462 -1.174 -5.903 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.816 -3.892 -7.092 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.595 -5.077 -8.043 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -3.363 -4.835 -9.215 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.661 -6.204 -7.579 1.00 0.00 O ATOM 0 H ASP A 100 -2.620 -3.788 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.805 -3.371 -7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.251 -4.245 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.528 -3.193 -7.531 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.953 -0.909 -7.491 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.060 0.582 -7.453 1.00 0.00 C ATOM 1461 C VAL A 101 -2.870 1.057 -8.682 1.00 0.00 C ATOM 1462 O VAL A 101 -2.601 0.642 -9.796 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.655 1.184 -7.508 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.720 2.668 -7.150 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.240 0.458 -6.500 1.00 0.00 C ATOM 0 H VAL A 101 -1.286 -1.272 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.559 0.899 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.248 1.072 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.282 3.096 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.364 3.186 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.124 2.782 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.244 0.882 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.171 0.576 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.285 -0.602 -6.751 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.865 1.901 -8.500 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.727 2.407 -9.619 1.00 0.00 C ATOM 1477 C PRO A 102 -4.113 3.566 -10.420 1.00 0.00 C ATOM 1478 O PRO A 102 -3.001 3.999 -10.182 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.963 2.917 -8.874 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.414 3.442 -7.599 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.300 2.473 -7.206 1.00 0.00 C ATOM 0 HA PRO A 102 -4.900 1.626 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.478 3.694 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.684 2.118 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.028 4.454 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.184 3.488 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.483 2.986 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.661 1.701 -6.527 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.883 4.077 -11.344 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.436 5.233 -12.165 1.00 0.00 C ATOM 1491 C ASP A 103 -4.822 6.514 -11.431 1.00 0.00 C ATOM 1492 O ASP A 103 -4.329 7.589 -11.714 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.135 5.196 -13.532 1.00 0.00 C ATOM 1494 CG ASP A 103 -6.651 5.162 -13.327 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -7.109 4.323 -12.572 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -7.328 5.976 -13.936 1.00 0.00 O ATOM 0 H ASP A 103 -5.818 3.734 -11.566 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.358 5.193 -12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.856 6.071 -14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.813 4.319 -14.094 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.701 6.391 -10.472 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.149 7.564 -9.667 1.00 0.00 C ATOM 1503 C ARG A 104 -5.835 7.256 -8.215 1.00 0.00 C ATOM 1504 O ARG A 104 -6.411 6.347 -7.663 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.677 7.734 -9.786 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.139 7.710 -11.269 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.522 9.119 -11.742 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.283 9.941 -11.866 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.303 11.058 -12.547 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -8.386 11.414 -13.186 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.232 11.807 -12.608 1.00 0.00 N ATOM 0 H ARG A 104 -6.136 5.507 -10.208 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.652 8.469 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.177 6.937 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.976 8.676 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.341 7.315 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.992 7.040 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.038 9.067 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.211 9.580 -11.034 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.420 9.632 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.215 10.821 -13.154 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.402 12.285 -13.717 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.381 11.520 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.248 12.678 -13.139 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.955 7.983 -7.573 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.647 7.699 -6.143 1.00 0.00 C ATOM 1527 C GLN A 105 -4.914 8.974 -5.342 1.00 0.00 C ATOM 1528 O GLN A 105 -5.157 8.950 -4.149 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.174 7.322 -6.001 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.933 5.982 -6.696 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.440 5.658 -6.681 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.927 5.128 -5.718 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -0.715 5.955 -7.732 1.00 0.00 N ATOM 0 H GLN A 105 -4.437 8.762 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.264 6.877 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.544 8.094 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.903 7.254 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.492 5.194 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.296 6.023 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.148 6.401 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.282 5.740 -7.741 1.00 0.00 H new ATOM 1542 N TRP A 106 -4.869 10.093 -6.019 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.117 11.402 -5.348 1.00 0.00 C ATOM 1544 C TRP A 106 -3.986 11.663 -4.344 1.00 0.00 C ATOM 1545 O TRP A 106 -2.938 11.057 -4.486 1.00 0.00 O ATOM 1546 CB TRP A 106 -6.490 11.349 -4.618 1.00 0.00 C ATOM 1547 CG TRP A 106 -7.418 12.421 -5.116 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -8.189 13.191 -4.316 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -7.704 12.842 -6.482 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -8.932 14.052 -5.093 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -8.668 13.881 -6.444 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -7.232 12.431 -7.746 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -9.144 14.487 -7.602 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -7.711 13.041 -8.919 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -8.662 14.068 -8.847 1.00 0.00 C ATOM 1556 OXT TRP A 106 -4.192 12.464 -3.448 1.00 0.00 O ATOM 0 H TRP A 106 -4.669 10.155 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 106 -5.140 12.209 -6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.947 10.371 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.338 11.467 -3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.218 13.139 -3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.595 14.732 -4.721 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -6.497 11.642 -7.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -9.880 15.275 -7.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -7.344 12.716 -9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -9.022 14.535 -9.751 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.329 10.009 4.108 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.459 7.319 3.942 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.896 8.681 4.908 1.00 0.00 S HETATM 1571 S2 FES A 107 0.144 8.632 3.211 1.00 0.00 S