USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 hydrogens (4 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 4 LYS NZ :NH3+ 174:sc= -0.325 (180deg=-0.428) USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 156:sc= -4.39! (180deg=-6.51!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.247 USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.241) USER MOD Single : A 24 MET CE :methyl 170:sc= 0 (180deg=-0.143) USER MOD Single : A 26 MET CE :methyl -94:sc= -0.336 (180deg=-0.586) USER MOD Single : A 31 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 170:sc= 0.0757 USER MOD Single : A 46 SER OG : rot -30:sc= 1.35 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0559 (180deg=-0.328) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.318 K(o=-0.32,f=-5.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.75 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.03! C(o=-2!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.761 7.338 -1.596 1.00 0.00 N ATOM 2 CA LEU A 1 -11.448 6.859 -1.201 1.00 0.00 C ATOM 3 C LEU A 1 -11.606 5.620 -0.317 1.00 0.00 C ATOM 4 O LEU A 1 -11.349 5.673 0.885 1.00 0.00 O ATOM 5 CB LEU A 1 -10.642 7.983 -0.545 1.00 0.00 C ATOM 6 CG LEU A 1 -11.257 8.604 0.711 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.271 9.557 1.390 1.00 0.00 C ATOM 8 CD2 LEU A 1 -12.587 9.289 0.389 1.00 0.00 C ATOM 0 H1 LEU A 1 -12.706 8.350 -1.830 1.00 0.00 H new ATOM 0 H2 LEU A 1 -13.088 6.808 -2.429 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.431 7.200 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.875 6.556 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.656 7.595 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.492 8.773 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.470 7.803 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -10.733 9.985 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.373 9.009 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.004 10.357 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -13.003 9.722 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.422 10.077 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -13.285 8.556 -0.016 1.00 0.00 H new ATOM 18 N LYS A 2 -12.028 4.534 -0.947 1.00 0.00 N ATOM 19 CA LYS A 2 -12.224 3.283 -0.233 1.00 0.00 C ATOM 20 C LYS A 2 -11.285 2.221 -0.807 1.00 0.00 C ATOM 21 O LYS A 2 -11.239 2.017 -2.020 1.00 0.00 O ATOM 22 CB LYS A 2 -13.699 2.878 -0.257 1.00 0.00 C ATOM 23 CG LYS A 2 -14.118 2.415 -1.654 1.00 0.00 C ATOM 24 CD LYS A 2 -15.640 2.454 -1.810 1.00 0.00 C ATOM 25 CE LYS A 2 -16.067 3.592 -2.738 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.813 3.061 -3.901 1.00 0.00 N ATOM 0 H LYS A 2 -12.240 4.494 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.967 3.401 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.872 2.077 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.317 3.722 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.655 3.053 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.757 1.402 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.993 1.503 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.106 2.582 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.690 4.300 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.188 4.139 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.095 3.847 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.207 2.403 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.662 2.560 -3.570 1.00 0.00 H new ATOM 39 N CYS A 3 -10.558 1.571 0.090 1.00 0.00 N ATOM 40 CA CYS A 3 -9.623 0.535 -0.312 1.00 0.00 C ATOM 41 C CYS A 3 -9.900 -0.715 0.526 1.00 0.00 C ATOM 42 O CYS A 3 -10.807 -0.720 1.357 1.00 0.00 O ATOM 43 CB CYS A 3 -8.171 1.000 -0.179 1.00 0.00 C ATOM 44 SG CYS A 3 -7.494 1.835 -1.660 1.00 0.00 S ATOM 0 H CYS A 3 -10.598 1.742 1.095 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.766 0.303 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.098 1.680 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.547 0.136 0.051 1.00 0.00 H new ATOM 49 N LYS A 4 -9.104 -1.744 0.278 1.00 0.00 N ATOM 50 CA LYS A 4 -9.252 -2.996 0.999 1.00 0.00 C ATOM 51 C LYS A 4 -8.394 -2.956 2.265 1.00 0.00 C ATOM 52 O LYS A 4 -7.322 -2.353 2.273 1.00 0.00 O ATOM 53 CB LYS A 4 -8.943 -4.182 0.084 1.00 0.00 C ATOM 54 CG LYS A 4 -10.083 -4.422 -0.908 1.00 0.00 C ATOM 55 CD LYS A 4 -10.778 -5.757 -0.632 1.00 0.00 C ATOM 56 CE LYS A 4 -12.012 -5.561 0.250 1.00 0.00 C ATOM 57 NZ LYS A 4 -13.145 -5.046 -0.551 1.00 0.00 N ATOM 0 H LYS A 4 -8.354 -1.736 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.285 -3.131 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.017 -3.995 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.785 -5.078 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.807 -3.610 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.692 -4.415 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.070 -6.221 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.082 -6.439 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.288 -6.507 0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.783 -4.865 1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.001 -5.015 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.923 -4.088 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.308 -5.673 -1.365 1.00 0.00 H new ATOM 70 N LYS A 5 -8.897 -3.606 3.304 1.00 0.00 N ATOM 71 CA LYS A 5 -8.189 -3.652 4.572 1.00 0.00 C ATOM 72 C LYS A 5 -7.243 -4.854 4.580 1.00 0.00 C ATOM 73 O LYS A 5 -7.048 -5.502 3.553 1.00 0.00 O ATOM 74 CB LYS A 5 -9.179 -3.641 5.739 1.00 0.00 C ATOM 75 CG LYS A 5 -9.570 -2.210 6.113 1.00 0.00 C ATOM 76 CD LYS A 5 -9.571 -2.021 7.631 1.00 0.00 C ATOM 77 CE LYS A 5 -8.941 -0.681 8.017 1.00 0.00 C ATOM 78 NZ LYS A 5 -8.212 -0.802 9.300 1.00 0.00 N ATOM 0 H LYS A 5 -9.786 -4.105 3.294 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.574 -2.761 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.071 -4.207 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.735 -4.138 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.873 -1.508 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.559 -1.983 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.593 -2.068 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.021 -2.835 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.258 -0.354 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.716 0.081 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.790 0.116 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.873 -1.093 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.460 -1.514 9.206 1.00 0.00 H new ATOM 91 N LEU A 6 -6.680 -5.116 5.750 1.00 0.00 N ATOM 92 CA LEU A 6 -5.758 -6.228 5.905 1.00 0.00 C ATOM 93 C LEU A 6 -6.283 -7.433 5.121 1.00 0.00 C ATOM 94 O LEU A 6 -5.732 -7.790 4.081 1.00 0.00 O ATOM 95 CB LEU A 6 -5.513 -6.519 7.387 1.00 0.00 C ATOM 96 CG LEU A 6 -4.352 -5.762 8.036 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.774 -4.347 8.435 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.780 -6.546 9.219 1.00 0.00 C ATOM 0 H LEU A 6 -6.845 -4.577 6.600 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.783 -5.975 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.425 -6.288 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.333 -7.588 7.502 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.554 -5.663 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.930 -3.831 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.095 -3.800 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.597 -4.400 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.956 -5.986 9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.559 -6.698 9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.416 -7.513 8.873 1.00 0.00 H new ATOM 108 N VAL A 7 -7.344 -8.026 5.650 1.00 0.00 N ATOM 109 CA VAL A 7 -7.950 -9.182 5.013 1.00 0.00 C ATOM 110 C VAL A 7 -8.901 -8.712 3.911 1.00 0.00 C ATOM 111 O VAL A 7 -9.675 -7.777 4.111 1.00 0.00 O ATOM 112 CB VAL A 7 -8.637 -10.058 6.062 1.00 0.00 C ATOM 113 CG1 VAL A 7 -9.265 -11.295 5.418 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.660 -10.453 7.172 1.00 0.00 C ATOM 0 H VAL A 7 -7.799 -7.727 6.513 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.187 -9.801 4.541 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.438 -9.473 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.747 -11.900 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.007 -10.985 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.490 -11.883 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.174 -11.075 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.827 -11.010 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.282 -9.555 7.660 1.00 0.00 H new ATOM 122 N PRO A 8 -8.810 -9.400 2.741 1.00 0.00 N ATOM 123 CA PRO A 8 -9.653 -9.062 1.607 1.00 0.00 C ATOM 124 C PRO A 8 -11.086 -9.553 1.824 1.00 0.00 C ATOM 125 O PRO A 8 -11.638 -10.261 0.983 1.00 0.00 O ATOM 126 CB PRO A 8 -8.979 -9.710 0.408 1.00 0.00 C ATOM 127 CG PRO A 8 -8.047 -10.768 0.976 1.00 0.00 C ATOM 128 CD PRO A 8 -7.905 -10.513 2.468 1.00 0.00 C ATOM 0 HA PRO A 8 -9.749 -7.986 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.715 -10.156 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.425 -8.973 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.447 -11.766 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.074 -10.722 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.176 -11.395 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.877 -10.262 2.731 1.00 0.00 H new ATOM 136 N LEU A 9 -11.648 -9.157 2.957 1.00 0.00 N ATOM 137 CA LEU A 9 -13.006 -9.548 3.295 1.00 0.00 C ATOM 138 C LEU A 9 -13.894 -8.303 3.338 1.00 0.00 C ATOM 139 O LEU A 9 -15.076 -8.367 3.002 1.00 0.00 O ATOM 140 CB LEU A 9 -13.023 -10.360 4.591 1.00 0.00 C ATOM 141 CG LEU A 9 -12.853 -11.873 4.437 1.00 0.00 C ATOM 142 CD1 LEU A 9 -12.407 -12.511 5.754 1.00 0.00 C ATOM 143 CD2 LEU A 9 -14.130 -12.515 3.891 1.00 0.00 C ATOM 0 H LEU A 9 -11.188 -8.570 3.652 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.415 -10.206 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.229 -9.989 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.967 -10.171 5.103 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.064 -12.056 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.294 -13.586 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.453 -12.082 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.156 -12.320 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.983 -13.590 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.955 -12.324 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.363 -12.089 2.915 1.00 0.00 H new ATOM 153 N PHE A 10 -13.291 -7.199 3.754 1.00 0.00 N ATOM 154 CA PHE A 10 -14.013 -5.941 3.845 1.00 0.00 C ATOM 155 C PHE A 10 -13.132 -4.770 3.403 1.00 0.00 C ATOM 156 O PHE A 10 -11.918 -4.917 3.272 1.00 0.00 O ATOM 157 CB PHE A 10 -14.395 -5.750 5.314 1.00 0.00 C ATOM 158 CG PHE A 10 -14.921 -7.018 5.990 1.00 0.00 C ATOM 159 CD1 PHE A 10 -16.150 -7.502 5.665 1.00 0.00 C ATOM 160 CD2 PHE A 10 -14.160 -7.661 6.916 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.638 -8.679 6.292 1.00 0.00 C ATOM 162 CE2 PHE A 10 -14.648 -8.837 7.543 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.877 -9.322 7.218 1.00 0.00 C ATOM 0 H PHE A 10 -12.311 -7.149 4.032 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.889 -5.967 3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.523 -5.393 5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.155 -4.972 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.755 -6.991 4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -13.184 -7.277 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.614 -9.064 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -14.044 -9.347 8.278 1.00 0.00 H new ATOM 0 HZ PHE A 10 -16.248 -10.217 7.695 1.00 0.00 H new ATOM 173 N SER A 11 -13.779 -3.634 3.186 1.00 0.00 N ATOM 174 CA SER A 11 -13.069 -2.439 2.762 1.00 0.00 C ATOM 175 C SER A 11 -13.423 -1.267 3.680 1.00 0.00 C ATOM 176 O SER A 11 -14.530 -1.203 4.213 1.00 0.00 O ATOM 177 CB SER A 11 -13.396 -2.091 1.308 1.00 0.00 C ATOM 178 OG SER A 11 -14.789 -2.207 1.032 1.00 0.00 O ATOM 0 H SER A 11 -14.786 -3.516 3.296 1.00 0.00 H new ATOM 0 HA SER A 11 -11.999 -2.635 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.068 -1.073 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.838 -2.751 0.643 1.00 0.00 H new ATOM 0 HG SER A 11 -14.957 -1.975 0.095 1.00 0.00 H new ATOM 184 N LYS A 12 -12.461 -0.370 3.838 1.00 0.00 N ATOM 185 CA LYS A 12 -12.657 0.796 4.683 1.00 0.00 C ATOM 186 C LYS A 12 -12.176 2.045 3.940 1.00 0.00 C ATOM 187 O LYS A 12 -11.282 1.966 3.100 1.00 0.00 O ATOM 188 CB LYS A 12 -11.984 0.592 6.042 1.00 0.00 C ATOM 189 CG LYS A 12 -12.565 1.544 7.089 1.00 0.00 C ATOM 190 CD LYS A 12 -12.524 0.916 8.484 1.00 0.00 C ATOM 191 CE LYS A 12 -12.456 1.993 9.569 1.00 0.00 C ATOM 192 NZ LYS A 12 -13.613 1.879 10.485 1.00 0.00 N ATOM 0 H LYS A 12 -11.544 -0.427 3.395 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.716 0.939 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.119 -0.439 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.911 0.759 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.002 2.477 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.594 1.793 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.409 0.298 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.659 0.258 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.528 1.893 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.445 2.981 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.552 2.617 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.495 1.997 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.606 0.943 10.938 1.00 0.00 H new ATOM 205 N THR A 13 -12.792 3.169 4.278 1.00 0.00 N ATOM 206 CA THR A 13 -12.439 4.432 3.654 1.00 0.00 C ATOM 207 C THR A 13 -11.380 5.160 4.485 1.00 0.00 C ATOM 208 O THR A 13 -11.556 5.357 5.686 1.00 0.00 O ATOM 209 CB THR A 13 -13.723 5.241 3.463 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.402 4.570 2.405 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.456 6.641 2.906 1.00 0.00 C ATOM 0 H THR A 13 -13.533 3.231 4.976 1.00 0.00 H new ATOM 0 HA THR A 13 -11.988 4.276 2.674 1.00 0.00 H new ATOM 0 HB THR A 13 -14.245 5.323 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.248 5.028 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.400 7.173 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.813 7.190 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.964 6.559 1.937 1.00 0.00 H new ATOM 218 N CYS A 14 -10.303 5.539 3.812 1.00 0.00 N ATOM 219 CA CYS A 14 -9.216 6.241 4.473 1.00 0.00 C ATOM 220 C CYS A 14 -9.726 7.617 4.906 1.00 0.00 C ATOM 221 O CYS A 14 -10.469 8.267 4.173 1.00 0.00 O ATOM 222 CB CYS A 14 -7.982 6.346 3.575 1.00 0.00 C ATOM 223 SG CYS A 14 -7.666 4.877 2.530 1.00 0.00 S ATOM 0 H CYS A 14 -10.160 5.373 2.816 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.898 5.680 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.093 7.217 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.108 6.523 4.202 1.00 0.00 H new ATOM 228 N PRO A 15 -9.294 8.031 6.128 1.00 0.00 N ATOM 229 CA PRO A 15 -9.698 9.318 6.667 1.00 0.00 C ATOM 230 C PRO A 15 -8.951 10.461 5.977 1.00 0.00 C ATOM 231 O PRO A 15 -7.940 10.236 5.314 1.00 0.00 O ATOM 232 CB PRO A 15 -9.405 9.230 8.156 1.00 0.00 C ATOM 233 CG PRO A 15 -8.423 8.082 8.320 1.00 0.00 C ATOM 234 CD PRO A 15 -8.413 7.288 7.024 1.00 0.00 C ATOM 0 HA PRO A 15 -10.752 9.534 6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.980 10.163 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.318 9.048 8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.426 8.462 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.716 7.446 9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.406 7.211 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.773 6.271 7.180 1.00 0.00 H new ATOM 242 N ALA A 16 -9.479 11.664 6.156 1.00 0.00 N ATOM 243 CA ALA A 16 -8.874 12.842 5.559 1.00 0.00 C ATOM 244 C ALA A 16 -7.360 12.797 5.772 1.00 0.00 C ATOM 245 O ALA A 16 -6.888 12.334 6.809 1.00 0.00 O ATOM 246 CB ALA A 16 -9.509 14.100 6.156 1.00 0.00 C ATOM 0 H ALA A 16 -10.318 11.847 6.706 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.055 12.863 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.055 14.984 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.580 14.099 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.345 14.114 7.233 1.00 0.00 H new ATOM 251 N GLY A 17 -6.639 13.283 4.772 1.00 0.00 N ATOM 252 CA GLY A 17 -5.188 13.304 4.836 1.00 0.00 C ATOM 253 C GLY A 17 -4.588 12.129 4.060 1.00 0.00 C ATOM 254 O GLY A 17 -3.687 12.315 3.244 1.00 0.00 O ATOM 0 H GLY A 17 -7.033 13.665 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.816 14.243 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.866 13.260 5.876 1.00 0.00 H new ATOM 258 N LYS A 18 -5.112 10.946 4.342 1.00 0.00 N ATOM 259 CA LYS A 18 -4.640 9.741 3.681 1.00 0.00 C ATOM 260 C LYS A 18 -5.513 9.461 2.457 1.00 0.00 C ATOM 261 O LYS A 18 -6.572 8.847 2.572 1.00 0.00 O ATOM 262 CB LYS A 18 -4.577 8.576 4.671 1.00 0.00 C ATOM 263 CG LYS A 18 -4.046 9.039 6.030 1.00 0.00 C ATOM 264 CD LYS A 18 -2.624 9.590 5.904 1.00 0.00 C ATOM 265 CE LYS A 18 -2.069 9.992 7.272 1.00 0.00 C ATOM 266 NZ LYS A 18 -1.163 8.943 7.792 1.00 0.00 N ATOM 0 H LYS A 18 -5.859 10.796 5.020 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.620 9.879 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.570 8.144 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.934 7.791 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.703 9.807 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.056 8.205 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.977 8.838 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.622 10.453 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.532 10.937 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.890 10.152 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.795 9.231 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.686 8.049 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.370 8.810 7.132 1.00 0.00 H new ATOM 279 N ASN A 19 -5.036 9.924 1.311 1.00 0.00 N ATOM 280 CA ASN A 19 -5.759 9.731 0.066 1.00 0.00 C ATOM 281 C ASN A 19 -4.981 8.762 -0.826 1.00 0.00 C ATOM 282 O ASN A 19 -5.239 8.673 -2.026 1.00 0.00 O ATOM 283 CB ASN A 19 -5.913 11.051 -0.692 1.00 0.00 C ATOM 284 CG ASN A 19 -7.200 11.771 -0.284 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.299 11.261 -0.426 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.003 12.982 0.230 1.00 0.00 N ATOM 0 H ASN A 19 -4.157 10.433 1.219 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.746 9.336 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.054 11.692 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.924 10.859 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.799 13.543 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.056 13.350 0.321 1.00 0.00 H new ATOM 293 N LEU A 20 -4.045 8.059 -0.206 1.00 0.00 N ATOM 294 CA LEU A 20 -3.228 7.100 -0.929 1.00 0.00 C ATOM 295 C LEU A 20 -3.233 5.765 -0.180 1.00 0.00 C ATOM 296 O LEU A 20 -3.013 5.727 1.029 1.00 0.00 O ATOM 297 CB LEU A 20 -1.826 7.664 -1.170 1.00 0.00 C ATOM 298 CG LEU A 20 -1.723 8.783 -2.208 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.426 9.575 -2.033 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.870 8.231 -3.627 1.00 0.00 C ATOM 0 H LEU A 20 -3.834 8.134 0.789 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.646 6.913 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.438 8.038 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.175 6.846 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.548 9.476 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.378 10.364 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.402 10.019 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.427 8.907 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.793 9.048 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.081 7.504 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.841 7.747 -3.730 1.00 0.00 H new ATOM 310 N CYS A 21 -3.487 4.703 -0.931 1.00 0.00 N ATOM 311 CA CYS A 21 -3.524 3.370 -0.353 1.00 0.00 C ATOM 312 C CYS A 21 -2.147 2.729 -0.537 1.00 0.00 C ATOM 313 O CYS A 21 -1.522 2.881 -1.585 1.00 0.00 O ATOM 314 CB CYS A 21 -4.637 2.519 -0.967 1.00 0.00 C ATOM 315 SG CYS A 21 -6.310 3.252 -0.863 1.00 0.00 S ATOM 0 H CYS A 21 -3.669 4.738 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.753 3.437 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.400 2.337 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.649 1.549 -0.470 1.00 0.00 H new ATOM 320 N TYR A 22 -1.715 2.025 0.499 1.00 0.00 N ATOM 321 CA TYR A 22 -0.423 1.360 0.465 1.00 0.00 C ATOM 322 C TYR A 22 -0.553 -0.110 0.871 1.00 0.00 C ATOM 323 O TYR A 22 -1.466 -0.475 1.610 1.00 0.00 O ATOM 324 CB TYR A 22 0.452 2.085 1.490 1.00 0.00 C ATOM 325 CG TYR A 22 0.285 1.574 2.923 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.934 0.424 3.325 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.514 2.262 3.812 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.777 -0.057 4.674 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.671 1.782 5.161 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.018 0.646 5.525 1.00 0.00 C ATOM 331 OH TYR A 22 -0.166 0.192 6.798 1.00 0.00 O ATOM 0 H TYR A 22 -2.236 1.901 1.367 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.002 1.391 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.497 1.982 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.217 3.149 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.559 -0.115 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.022 3.161 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.279 -0.955 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.293 2.312 5.867 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.760 0.794 7.293 1.00 0.00 H new ATOM 341 N LYS A 23 0.375 -0.912 0.371 1.00 0.00 N ATOM 342 CA LYS A 23 0.376 -2.334 0.673 1.00 0.00 C ATOM 343 C LYS A 23 1.816 -2.803 0.895 1.00 0.00 C ATOM 344 O LYS A 23 2.677 -2.600 0.041 1.00 0.00 O ATOM 345 CB LYS A 23 -0.363 -3.113 -0.417 1.00 0.00 C ATOM 346 CG LYS A 23 0.440 -3.131 -1.719 1.00 0.00 C ATOM 347 CD LYS A 23 -0.326 -3.858 -2.826 1.00 0.00 C ATOM 348 CE LYS A 23 0.477 -5.047 -3.358 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.127 -6.322 -2.912 1.00 0.00 N ATOM 0 H LYS A 23 1.131 -0.605 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.169 -2.528 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.541 -4.135 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.339 -2.661 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.655 -2.109 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.399 -3.622 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.285 -4.205 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.540 -3.166 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.508 -5.014 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.507 -4.984 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.584 -7.079 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.461 -6.224 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.930 -6.560 -3.529 1.00 0.00 H new ATOM 362 N MET A 24 2.032 -3.420 2.047 1.00 0.00 N ATOM 363 CA MET A 24 3.352 -3.919 2.392 1.00 0.00 C ATOM 364 C MET A 24 3.416 -5.442 2.256 1.00 0.00 C ATOM 365 O MET A 24 2.627 -6.157 2.872 1.00 0.00 O ATOM 366 CB MET A 24 3.689 -3.521 3.831 1.00 0.00 C ATOM 367 CG MET A 24 3.885 -2.008 3.949 1.00 0.00 C ATOM 368 SD MET A 24 3.838 -1.518 5.665 1.00 0.00 S ATOM 369 CE MET A 24 5.385 -2.209 6.227 1.00 0.00 C ATOM 0 H MET A 24 1.315 -3.586 2.753 1.00 0.00 H new ATOM 0 HA MET A 24 4.076 -3.481 1.705 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.888 -3.841 4.498 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.595 -4.035 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.839 -1.721 3.506 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.106 -1.488 3.392 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.602 -1.846 7.232 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.314 -3.297 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.185 -1.907 5.552 1.00 0.00 H new ATOM 378 N PHE A 25 4.362 -5.892 1.446 1.00 0.00 N ATOM 379 CA PHE A 25 4.539 -7.317 1.221 1.00 0.00 C ATOM 380 C PHE A 25 6.023 -7.689 1.205 1.00 0.00 C ATOM 381 O PHE A 25 6.883 -6.822 1.059 1.00 0.00 O ATOM 382 CB PHE A 25 3.931 -7.632 -0.148 1.00 0.00 C ATOM 383 CG PHE A 25 4.755 -7.114 -1.328 1.00 0.00 C ATOM 384 CD1 PHE A 25 4.834 -5.778 -1.568 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.407 -7.990 -2.139 1.00 0.00 C ATOM 386 CE1 PHE A 25 5.599 -5.297 -2.664 1.00 0.00 C ATOM 387 CE2 PHE A 25 6.172 -7.509 -3.235 1.00 0.00 C ATOM 388 CZ PHE A 25 6.251 -6.173 -3.474 1.00 0.00 C ATOM 0 H PHE A 25 5.014 -5.295 0.937 1.00 0.00 H new ATOM 0 HA PHE A 25 4.059 -7.883 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.817 -8.712 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.931 -7.200 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.315 -5.082 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.343 -9.051 -1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.663 -4.236 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.691 -8.204 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.832 -5.807 -4.308 1.00 0.00 H new ATOM 398 N MET A 26 6.277 -8.981 1.357 1.00 0.00 N ATOM 399 CA MET A 26 7.642 -9.479 1.363 1.00 0.00 C ATOM 400 C MET A 26 8.048 -9.982 -0.024 1.00 0.00 C ATOM 401 O MET A 26 7.197 -10.390 -0.814 1.00 0.00 O ATOM 402 CB MET A 26 7.766 -10.619 2.376 1.00 0.00 C ATOM 403 CG MET A 26 7.517 -10.116 3.799 1.00 0.00 C ATOM 404 SD MET A 26 7.465 -11.495 4.932 1.00 0.00 S ATOM 405 CE MET A 26 6.242 -10.899 6.089 1.00 0.00 C ATOM 0 H MET A 26 5.561 -9.697 1.477 1.00 0.00 H new ATOM 0 HA MET A 26 8.306 -8.661 1.641 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.051 -11.405 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.760 -11.061 2.311 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.306 -9.423 4.092 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.577 -9.565 3.840 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.740 -10.405 6.923 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.583 -10.189 5.589 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.655 -11.738 6.462 1.00 0.00 H new ATOM 414 N VAL A 27 9.347 -9.936 -0.279 1.00 0.00 N ATOM 415 CA VAL A 27 9.876 -10.382 -1.557 1.00 0.00 C ATOM 416 C VAL A 27 9.491 -11.846 -1.780 1.00 0.00 C ATOM 417 O VAL A 27 9.582 -12.352 -2.897 1.00 0.00 O ATOM 418 CB VAL A 27 11.387 -10.146 -1.609 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.123 -11.104 -0.670 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.911 -10.269 -3.041 1.00 0.00 C ATOM 0 H VAL A 27 10.050 -9.597 0.378 1.00 0.00 H new ATOM 0 HA VAL A 27 9.442 -9.804 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 27 11.581 -9.129 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.195 -10.916 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.779 -10.947 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.919 -12.133 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.987 -10.097 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.700 -11.269 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.420 -9.529 -3.673 1.00 0.00 H new ATOM 428 N ALA A 28 9.068 -12.485 -0.699 1.00 0.00 N ATOM 429 CA ALA A 28 8.668 -13.880 -0.763 1.00 0.00 C ATOM 430 C ALA A 28 7.953 -14.141 -2.090 1.00 0.00 C ATOM 431 O ALA A 28 8.222 -15.138 -2.759 1.00 0.00 O ATOM 432 CB ALA A 28 7.794 -14.217 0.447 1.00 0.00 C ATOM 0 H ALA A 28 8.994 -12.062 0.226 1.00 0.00 H new ATOM 0 HA ALA A 28 9.541 -14.531 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.494 -15.264 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.358 -14.043 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.906 -13.585 0.442 1.00 0.00 H new ATOM 437 N ALA A 29 7.056 -13.228 -2.432 1.00 0.00 N ATOM 438 CA ALA A 29 6.300 -13.347 -3.667 1.00 0.00 C ATOM 439 C ALA A 29 6.025 -11.951 -4.228 1.00 0.00 C ATOM 440 O ALA A 29 5.949 -10.980 -3.477 1.00 0.00 O ATOM 441 CB ALA A 29 5.015 -14.135 -3.405 1.00 0.00 C ATOM 0 H ALA A 29 6.836 -12.402 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 29 6.871 -13.896 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.448 -14.224 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.267 -15.129 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.414 -13.613 -2.660 1.00 0.00 H new ATOM 446 N PRO A 30 5.878 -11.892 -5.579 1.00 0.00 N ATOM 447 CA PRO A 30 5.613 -10.631 -6.249 1.00 0.00 C ATOM 448 C PRO A 30 4.162 -10.193 -6.038 1.00 0.00 C ATOM 449 O PRO A 30 3.840 -9.013 -6.173 1.00 0.00 O ATOM 450 CB PRO A 30 5.951 -10.882 -7.709 1.00 0.00 C ATOM 451 CG PRO A 30 5.947 -12.392 -7.884 1.00 0.00 C ATOM 452 CD PRO A 30 5.961 -13.022 -6.500 1.00 0.00 C ATOM 0 HA PRO A 30 6.210 -9.810 -5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.220 -10.411 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.924 -10.462 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.064 -12.710 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.817 -12.712 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.121 -13.704 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.871 -13.600 -6.337 1.00 0.00 H new ATOM 460 N HIS A 31 3.325 -11.166 -5.711 1.00 0.00 N ATOM 461 CA HIS A 31 1.916 -10.896 -5.480 1.00 0.00 C ATOM 462 C HIS A 31 1.446 -11.650 -4.234 1.00 0.00 C ATOM 463 O HIS A 31 0.583 -12.522 -4.321 1.00 0.00 O ATOM 464 CB HIS A 31 1.088 -11.230 -6.723 1.00 0.00 C ATOM 465 CG HIS A 31 -0.331 -10.717 -6.671 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.403 -11.423 -7.188 1.00 0.00 N ATOM 467 CD2 HIS A 31 -0.843 -9.561 -6.159 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.505 -10.715 -6.991 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.156 -9.561 -6.353 1.00 0.00 N ATOM 0 H HIS A 31 3.595 -12.143 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 31 1.772 -9.832 -5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.583 -10.812 -7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.068 -12.312 -6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.276 -8.778 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.504 -11.001 -7.284 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.798 -8.820 -6.071 1.00 0.00 H new ATOM 477 N VAL A 32 2.036 -11.286 -3.105 1.00 0.00 N ATOM 478 CA VAL A 32 1.688 -11.917 -1.843 1.00 0.00 C ATOM 479 C VAL A 32 1.923 -10.927 -0.700 1.00 0.00 C ATOM 480 O VAL A 32 2.997 -10.906 -0.102 1.00 0.00 O ATOM 481 CB VAL A 32 2.473 -13.220 -1.675 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.339 -13.762 -0.251 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.031 -14.263 -2.703 1.00 0.00 C ATOM 0 H VAL A 32 2.752 -10.563 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 32 0.632 -12.185 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 32 3.526 -13.001 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.906 -14.688 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.726 -13.028 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.289 -13.957 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.604 -15.179 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.970 -14.475 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.203 -13.879 -3.708 1.00 0.00 H new ATOM 491 N PRO A 33 0.872 -10.108 -0.425 1.00 0.00 N ATOM 492 CA PRO A 33 0.953 -9.117 0.635 1.00 0.00 C ATOM 493 C PRO A 33 0.845 -9.777 2.011 1.00 0.00 C ATOM 494 O PRO A 33 0.397 -10.917 2.124 1.00 0.00 O ATOM 495 CB PRO A 33 -0.180 -8.144 0.351 1.00 0.00 C ATOM 496 CG PRO A 33 -1.135 -8.876 -0.578 1.00 0.00 C ATOM 497 CD PRO A 33 -0.416 -10.104 -1.113 1.00 0.00 C ATOM 0 HA PRO A 33 1.911 -8.597 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.681 -7.849 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.195 -7.232 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.040 -9.166 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.443 -8.227 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.979 -11.014 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.287 -10.048 -2.194 1.00 0.00 H new ATOM 505 N VAL A 34 1.263 -9.031 3.024 1.00 0.00 N ATOM 506 CA VAL A 34 1.218 -9.529 4.388 1.00 0.00 C ATOM 507 C VAL A 34 0.282 -8.648 5.218 1.00 0.00 C ATOM 508 O VAL A 34 -0.510 -9.153 6.011 1.00 0.00 O ATOM 509 CB VAL A 34 2.634 -9.606 4.963 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.288 -8.223 4.996 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.626 -10.241 6.355 1.00 0.00 C ATOM 0 H VAL A 34 1.634 -8.086 2.927 1.00 0.00 H new ATOM 0 HA VAL A 34 0.816 -10.542 4.412 1.00 0.00 H new ATOM 0 HB VAL A 34 3.228 -10.242 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.293 -8.306 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.343 -7.822 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.694 -7.554 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.644 -10.284 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.009 -9.642 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.219 -11.250 6.292 1.00 0.00 H new ATOM 519 N LYS A 35 0.406 -7.346 5.006 1.00 0.00 N ATOM 520 CA LYS A 35 -0.419 -6.389 5.724 1.00 0.00 C ATOM 521 C LYS A 35 -0.547 -5.109 4.896 1.00 0.00 C ATOM 522 O LYS A 35 0.416 -4.674 4.267 1.00 0.00 O ATOM 523 CB LYS A 35 0.132 -6.158 7.133 1.00 0.00 C ATOM 524 CG LYS A 35 -0.657 -5.066 7.858 1.00 0.00 C ATOM 525 CD LYS A 35 0.256 -3.908 8.266 1.00 0.00 C ATOM 526 CE LYS A 35 -0.548 -2.626 8.486 1.00 0.00 C ATOM 527 NZ LYS A 35 -0.938 -2.496 9.908 1.00 0.00 N ATOM 0 H LYS A 35 1.065 -6.931 4.347 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.426 -6.782 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.084 -7.086 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.183 -5.874 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.452 -4.696 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.136 -5.485 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.791 -4.167 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.006 -3.742 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.044 -1.762 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.439 -2.636 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.483 -1.620 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.521 -3.312 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.084 -2.465 10.501 1.00 0.00 H new ATOM 540 N ARG A 36 -1.740 -4.511 4.900 1.00 0.00 N ATOM 541 CA ARG A 36 -1.989 -3.294 4.155 1.00 0.00 C ATOM 542 C ARG A 36 -2.623 -2.252 5.066 1.00 0.00 C ATOM 543 O ARG A 36 -2.977 -2.553 6.204 1.00 0.00 O ATOM 544 CB ARG A 36 -2.901 -3.601 2.970 1.00 0.00 C ATOM 545 CG ARG A 36 -2.243 -4.654 2.082 1.00 0.00 C ATOM 546 CD ARG A 36 -2.842 -4.584 0.681 1.00 0.00 C ATOM 547 NE ARG A 36 -4.215 -5.090 0.671 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.508 -6.390 0.532 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.523 -7.288 0.395 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.786 -6.793 0.529 1.00 0.00 N ATOM 0 H ARG A 36 -2.548 -4.859 5.417 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.047 -2.895 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.867 -3.961 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.089 -2.693 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.167 -4.487 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.394 -5.647 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.828 -3.553 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.231 -5.166 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.981 -4.425 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.550 -6.982 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.746 -8.278 0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.536 -6.110 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.008 -7.783 0.423 1.00 0.00 H new ATOM 564 N GLY A 37 -2.749 -1.045 4.534 1.00 0.00 N ATOM 565 CA GLY A 37 -3.338 0.048 5.291 1.00 0.00 C ATOM 566 C GLY A 37 -3.427 1.317 4.441 1.00 0.00 C ATOM 567 O GLY A 37 -3.100 1.299 3.255 1.00 0.00 O ATOM 0 H GLY A 37 -2.454 -0.799 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.333 -0.236 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.739 0.243 6.181 1.00 0.00 H new ATOM 571 N CYS A 38 -3.872 2.389 5.081 1.00 0.00 N ATOM 572 CA CYS A 38 -4.008 3.664 4.399 1.00 0.00 C ATOM 573 C CYS A 38 -2.892 4.591 4.886 1.00 0.00 C ATOM 574 O CYS A 38 -2.504 4.542 6.052 1.00 0.00 O ATOM 575 CB CYS A 38 -5.393 4.277 4.616 1.00 0.00 C ATOM 576 SG CYS A 38 -6.727 3.536 3.605 1.00 0.00 S ATOM 0 H CYS A 38 -4.143 2.400 6.064 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.913 3.515 3.323 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.657 4.179 5.669 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.341 5.344 4.398 1.00 0.00 H new ATOM 581 N ILE A 39 -2.408 5.414 3.968 1.00 0.00 N ATOM 582 CA ILE A 39 -1.344 6.351 4.289 1.00 0.00 C ATOM 583 C ILE A 39 -1.369 7.507 3.287 1.00 0.00 C ATOM 584 O ILE A 39 -2.272 7.594 2.457 1.00 0.00 O ATOM 585 CB ILE A 39 0.003 5.628 4.360 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.918 6.275 5.402 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.662 5.560 2.981 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.081 5.371 6.625 1.00 0.00 C ATOM 0 H ILE A 39 -2.733 5.452 3.002 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.501 6.782 5.278 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.176 4.602 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.894 6.475 4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.504 7.236 5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.618 5.041 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.011 5.020 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.827 6.570 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.736 5.854 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.106 5.193 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.518 4.420 6.319 1.00 0.00 H new ATOM 598 N ASP A 40 -0.374 8.392 3.371 1.00 0.00 N ATOM 599 CA ASP A 40 -0.286 9.531 2.479 1.00 0.00 C ATOM 600 C ASP A 40 1.014 9.470 1.691 1.00 0.00 C ATOM 601 O ASP A 40 1.029 9.743 0.493 1.00 0.00 O ATOM 602 CB ASP A 40 -0.365 10.820 3.293 1.00 0.00 C ATOM 603 CG ASP A 40 0.716 10.853 4.364 1.00 0.00 C ATOM 604 OD1 ASP A 40 1.848 11.253 4.016 1.00 0.00 O ATOM 605 OD2 ASP A 40 0.390 10.479 5.511 1.00 0.00 O ATOM 0 H ASP A 40 0.382 8.334 4.054 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.116 9.510 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.254 11.680 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.347 10.901 3.759 1.00 0.00 H new ATOM 611 N VAL A 41 2.079 9.108 2.393 1.00 0.00 N ATOM 612 CA VAL A 41 3.387 9.008 1.768 1.00 0.00 C ATOM 613 C VAL A 41 3.845 7.548 1.786 1.00 0.00 C ATOM 614 O VAL A 41 3.586 6.824 2.746 1.00 0.00 O ATOM 615 CB VAL A 41 4.372 9.952 2.461 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.735 9.439 3.856 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.626 10.158 1.609 1.00 0.00 C ATOM 0 H VAL A 41 2.062 8.881 3.387 1.00 0.00 H new ATOM 0 HA VAL A 41 3.337 9.321 0.725 1.00 0.00 H new ATOM 0 HB VAL A 41 3.883 10.919 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.436 10.128 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.833 9.368 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.195 8.454 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.309 10.833 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.117 9.199 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.346 10.590 0.648 1.00 0.00 H new ATOM 625 N CYS A 42 4.519 7.159 0.714 1.00 0.00 N ATOM 626 CA CYS A 42 5.016 5.799 0.594 1.00 0.00 C ATOM 627 C CYS A 42 6.463 5.771 1.090 1.00 0.00 C ATOM 628 O CYS A 42 7.257 6.645 0.747 1.00 0.00 O ATOM 629 CB CYS A 42 4.893 5.276 -0.838 1.00 0.00 C ATOM 630 SG CYS A 42 4.096 3.635 -0.990 1.00 0.00 S ATOM 0 H CYS A 42 4.733 7.762 -0.080 1.00 0.00 H new ATOM 0 HA CYS A 42 4.410 5.132 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.324 5.997 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.889 5.223 -1.277 1.00 0.00 H new ATOM 635 N PRO A 43 6.769 4.730 1.910 1.00 0.00 N ATOM 636 CA PRO A 43 8.107 4.576 2.456 1.00 0.00 C ATOM 637 C PRO A 43 9.079 4.068 1.390 1.00 0.00 C ATOM 638 O PRO A 43 8.660 3.513 0.375 1.00 0.00 O ATOM 639 CB PRO A 43 7.948 3.614 3.622 1.00 0.00 C ATOM 640 CG PRO A 43 6.621 2.906 3.399 1.00 0.00 C ATOM 641 CD PRO A 43 5.854 3.676 2.337 1.00 0.00 C ATOM 0 HA PRO A 43 8.535 5.520 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.771 2.900 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.951 4.148 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.786 1.877 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.050 2.864 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.576 3.031 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.930 4.092 2.739 1.00 0.00 H new ATOM 649 N LYS A 44 10.361 4.275 1.656 1.00 0.00 N ATOM 650 CA LYS A 44 11.396 3.845 0.732 1.00 0.00 C ATOM 651 C LYS A 44 11.285 2.334 0.516 1.00 0.00 C ATOM 652 O LYS A 44 11.075 1.581 1.466 1.00 0.00 O ATOM 653 CB LYS A 44 12.773 4.296 1.223 1.00 0.00 C ATOM 654 CG LYS A 44 13.886 3.700 0.358 1.00 0.00 C ATOM 655 CD LYS A 44 15.250 4.276 0.746 1.00 0.00 C ATOM 656 CE LYS A 44 16.321 3.883 -0.274 1.00 0.00 C ATOM 657 NZ LYS A 44 16.996 5.088 -0.806 1.00 0.00 N ATOM 0 H LYS A 44 10.706 4.735 2.499 1.00 0.00 H new ATOM 0 HA LYS A 44 11.259 4.318 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.833 5.384 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.911 3.991 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.899 2.616 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.685 3.907 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.185 5.362 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.534 3.914 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.053 3.225 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.866 3.323 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.720 4.804 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.296 5.701 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.447 5.606 -0.025 1.00 0.00 H new ATOM 670 N SER A 45 11.432 1.936 -0.739 1.00 0.00 N ATOM 671 CA SER A 45 11.352 0.528 -1.092 1.00 0.00 C ATOM 672 C SER A 45 12.729 -0.124 -0.958 1.00 0.00 C ATOM 673 O SER A 45 13.722 0.408 -1.451 1.00 0.00 O ATOM 674 CB SER A 45 10.813 0.347 -2.512 1.00 0.00 C ATOM 675 OG SER A 45 9.420 0.049 -2.521 1.00 0.00 O ATOM 0 H SER A 45 11.606 2.563 -1.524 1.00 0.00 H new ATOM 0 HA SER A 45 10.659 0.041 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.993 1.256 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.359 -0.456 -3.007 1.00 0.00 H new ATOM 0 HG SER A 45 9.081 0.100 -3.439 1.00 0.00 H new ATOM 681 N SER A 46 12.744 -1.269 -0.290 1.00 0.00 N ATOM 682 CA SER A 46 13.983 -2.000 -0.086 1.00 0.00 C ATOM 683 C SER A 46 13.967 -3.294 -0.902 1.00 0.00 C ATOM 684 O SER A 46 12.963 -3.623 -1.532 1.00 0.00 O ATOM 685 CB SER A 46 14.202 -2.309 1.396 1.00 0.00 C ATOM 686 OG SER A 46 13.464 -3.452 1.818 1.00 0.00 O ATOM 0 H SER A 46 11.918 -1.708 0.117 1.00 0.00 H new ATOM 0 HA SER A 46 14.809 -1.375 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.264 -2.475 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.907 -1.446 1.994 1.00 0.00 H new ATOM 0 HG SER A 46 12.646 -3.529 1.283 1.00 0.00 H new ATOM 692 N LEU A 47 15.091 -3.995 -0.862 1.00 0.00 N ATOM 693 CA LEU A 47 15.218 -5.246 -1.590 1.00 0.00 C ATOM 694 C LEU A 47 14.458 -6.344 -0.844 1.00 0.00 C ATOM 695 O LEU A 47 13.612 -7.022 -1.425 1.00 0.00 O ATOM 696 CB LEU A 47 16.692 -5.576 -1.834 1.00 0.00 C ATOM 697 CG LEU A 47 17.352 -4.864 -3.016 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.863 -5.106 -3.029 1.00 0.00 C ATOM 699 CD2 LEU A 47 16.695 -5.271 -4.337 1.00 0.00 C ATOM 0 H LEU A 47 15.921 -3.720 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 47 14.766 -5.160 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.252 -5.334 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.783 -6.651 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 47 17.199 -3.791 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.307 -4.589 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.300 -4.727 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.060 -6.175 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.183 -4.751 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.796 -6.347 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.638 -5.005 -4.315 1.00 0.00 H new ATOM 709 N LEU A 48 14.787 -6.486 0.432 1.00 0.00 N ATOM 710 CA LEU A 48 14.145 -7.490 1.263 1.00 0.00 C ATOM 711 C LEU A 48 12.627 -7.372 1.118 1.00 0.00 C ATOM 712 O LEU A 48 11.955 -8.342 0.768 1.00 0.00 O ATOM 713 CB LEU A 48 14.635 -7.382 2.708 1.00 0.00 C ATOM 714 CG LEU A 48 14.762 -8.701 3.474 1.00 0.00 C ATOM 715 CD1 LEU A 48 16.166 -8.862 4.060 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.676 -8.819 4.546 1.00 0.00 C ATOM 0 H LEU A 48 15.490 -5.922 0.910 1.00 0.00 H new ATOM 0 HA LEU A 48 14.420 -8.491 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.608 -6.891 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.952 -6.732 3.255 1.00 0.00 H new ATOM 0 HG LEU A 48 14.611 -9.520 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.229 -9.807 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.900 -8.854 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.371 -8.039 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.789 -9.765 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.771 -7.994 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.694 -8.782 4.075 1.00 0.00 H new ATOM 726 N VAL A 49 12.129 -6.176 1.393 1.00 0.00 N ATOM 727 CA VAL A 49 10.702 -5.918 1.298 1.00 0.00 C ATOM 728 C VAL A 49 10.464 -4.737 0.355 1.00 0.00 C ATOM 729 O VAL A 49 11.328 -3.874 0.204 1.00 0.00 O ATOM 730 CB VAL A 49 10.116 -5.697 2.694 1.00 0.00 C ATOM 731 CG1 VAL A 49 10.164 -6.985 3.519 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.834 -4.556 3.416 1.00 0.00 C ATOM 0 H VAL A 49 12.689 -5.374 1.682 1.00 0.00 H new ATOM 0 HA VAL A 49 10.185 -6.780 0.876 1.00 0.00 H new ATOM 0 HB VAL A 49 9.070 -5.413 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.742 -6.800 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.586 -7.761 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.198 -7.313 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.398 -4.420 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.892 -4.797 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.724 -3.636 2.842 1.00 0.00 H new ATOM 740 N LYS A 50 9.287 -4.735 -0.254 1.00 0.00 N ATOM 741 CA LYS A 50 8.924 -3.674 -1.178 1.00 0.00 C ATOM 742 C LYS A 50 7.502 -3.200 -0.870 1.00 0.00 C ATOM 743 O LYS A 50 6.695 -3.956 -0.332 1.00 0.00 O ATOM 744 CB LYS A 50 9.120 -4.133 -2.624 1.00 0.00 C ATOM 745 CG LYS A 50 10.443 -3.613 -3.190 1.00 0.00 C ATOM 746 CD LYS A 50 10.209 -2.756 -4.435 1.00 0.00 C ATOM 747 CE LYS A 50 11.339 -2.943 -5.450 1.00 0.00 C ATOM 748 NZ LYS A 50 11.277 -4.294 -6.051 1.00 0.00 N ATOM 0 H LYS A 50 8.572 -5.451 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 50 9.582 -2.814 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.104 -5.222 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.293 -3.777 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.961 -3.025 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.091 -4.453 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.257 -3.025 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.141 -1.706 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.263 -2.187 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.303 -2.800 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.746 -4.283 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.759 -4.973 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.283 -4.576 -6.169 1.00 0.00 H new ATOM 761 N TYR A 51 7.239 -1.951 -1.225 1.00 0.00 N ATOM 762 CA TYR A 51 5.929 -1.368 -0.993 1.00 0.00 C ATOM 763 C TYR A 51 5.374 -0.740 -2.273 1.00 0.00 C ATOM 764 O TYR A 51 6.135 -0.343 -3.155 1.00 0.00 O ATOM 765 CB TYR A 51 6.135 -0.269 0.051 1.00 0.00 C ATOM 766 CG TYR A 51 6.943 -0.715 1.272 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.770 -1.983 1.788 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.845 0.151 1.856 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.530 -2.402 2.937 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.605 -0.268 3.005 1.00 0.00 C ATOM 771 CZ TYR A 51 8.410 -1.524 3.489 1.00 0.00 C ATOM 772 OH TYR A 51 9.129 -1.921 4.574 1.00 0.00 O ATOM 0 H TYR A 51 7.911 -1.327 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 51 5.223 -2.130 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.641 0.574 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.161 0.089 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.065 -2.661 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.981 1.143 1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.404 -3.391 3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.314 0.400 3.472 1.00 0.00 H new ATOM 0 HH TYR A 51 9.718 -1.192 4.861 1.00 0.00 H new ATOM 782 N VAL A 52 4.053 -0.669 -2.335 1.00 0.00 N ATOM 783 CA VAL A 52 3.387 -0.097 -3.493 1.00 0.00 C ATOM 784 C VAL A 52 2.311 0.884 -3.024 1.00 0.00 C ATOM 785 O VAL A 52 1.693 0.681 -1.980 1.00 0.00 O ATOM 786 CB VAL A 52 2.833 -1.211 -4.383 1.00 0.00 C ATOM 787 CG1 VAL A 52 1.930 -0.640 -5.478 1.00 0.00 C ATOM 788 CG2 VAL A 52 3.965 -2.045 -4.985 1.00 0.00 C ATOM 0 H VAL A 52 3.425 -0.998 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 52 4.096 0.464 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 52 2.228 -1.869 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.549 -1.453 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.094 -0.110 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.502 0.050 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.544 -2.830 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.609 -1.404 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.550 -2.496 -4.184 1.00 0.00 H new ATOM 796 N CYS A 53 2.120 1.928 -3.818 1.00 0.00 N ATOM 797 CA CYS A 53 1.129 2.941 -3.497 1.00 0.00 C ATOM 798 C CYS A 53 0.336 3.257 -4.767 1.00 0.00 C ATOM 799 O CYS A 53 0.827 3.052 -5.876 1.00 0.00 O ATOM 800 CB CYS A 53 1.773 4.193 -2.899 1.00 0.00 C ATOM 801 SG CYS A 53 2.115 4.099 -1.104 1.00 0.00 S ATOM 0 H CYS A 53 2.635 2.094 -4.683 1.00 0.00 H new ATOM 0 HA CYS A 53 0.451 2.561 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.709 4.388 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.119 5.045 -3.086 1.00 0.00 H new ATOM 806 N CYS A 54 -0.876 3.751 -4.562 1.00 0.00 N ATOM 807 CA CYS A 54 -1.741 4.098 -5.676 1.00 0.00 C ATOM 808 C CYS A 54 -2.946 4.866 -5.129 1.00 0.00 C ATOM 809 O CYS A 54 -3.357 4.652 -3.989 1.00 0.00 O ATOM 810 CB CYS A 54 -2.166 2.860 -6.469 1.00 0.00 C ATOM 811 SG CYS A 54 -2.152 1.297 -5.517 1.00 0.00 S ATOM 0 H CYS A 54 -1.279 3.919 -3.640 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.197 4.730 -6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.171 3.023 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.504 2.752 -7.328 1.00 0.00 H new ATOM 816 N ASN A 55 -3.477 5.745 -5.966 1.00 0.00 N ATOM 817 CA ASN A 55 -4.626 6.547 -5.580 1.00 0.00 C ATOM 818 C ASN A 55 -5.848 6.098 -6.384 1.00 0.00 C ATOM 819 O ASN A 55 -6.368 6.855 -7.203 1.00 0.00 O ATOM 820 CB ASN A 55 -4.386 8.029 -5.871 1.00 0.00 C ATOM 821 CG ASN A 55 -3.819 8.227 -7.278 1.00 0.00 C ATOM 822 OD1 ASN A 55 -3.907 7.366 -8.138 1.00 0.00 O ATOM 823 ND2 ASN A 55 -3.234 9.407 -7.465 1.00 0.00 N ATOM 0 H ASN A 55 -3.133 5.920 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.788 6.412 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.322 8.579 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.695 8.440 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.825 9.636 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.195 10.083 -6.702 1.00 0.00 H new ATOM 830 N THR A 56 -6.271 4.870 -6.123 1.00 0.00 N ATOM 831 CA THR A 56 -7.422 4.313 -6.812 1.00 0.00 C ATOM 832 C THR A 56 -8.224 3.414 -5.869 1.00 0.00 C ATOM 833 O THR A 56 -7.680 2.878 -4.904 1.00 0.00 O ATOM 834 CB THR A 56 -6.919 3.587 -8.061 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.921 2.698 -7.569 1.00 0.00 O ATOM 836 CG2 THR A 56 -6.156 4.515 -9.010 1.00 0.00 C ATOM 0 H THR A 56 -5.837 4.245 -5.444 1.00 0.00 H new ATOM 0 HA THR A 56 -8.111 5.096 -7.128 1.00 0.00 H new ATOM 0 HB THR A 56 -7.764 3.144 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.543 2.186 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.821 3.950 -9.880 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.811 5.324 -9.333 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.292 4.933 -8.494 1.00 0.00 H new ATOM 843 N ASP A 57 -9.518 3.252 -6.153 1.00 0.00 N ATOM 844 CA ASP A 57 -10.383 2.426 -5.335 1.00 0.00 C ATOM 845 C ASP A 57 -9.937 0.974 -5.418 1.00 0.00 C ATOM 846 O ASP A 57 -9.835 0.415 -6.507 1.00 0.00 O ATOM 847 CB ASP A 57 -11.826 2.577 -5.811 1.00 0.00 C ATOM 848 CG ASP A 57 -12.532 3.696 -5.059 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.249 3.833 -3.849 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.342 4.392 -5.708 1.00 0.00 O ATOM 0 H ASP A 57 -9.984 3.688 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.322 2.745 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.840 2.787 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.362 1.639 -5.663 1.00 0.00 H new ATOM 856 N LYS A 58 -9.681 0.399 -4.251 1.00 0.00 N ATOM 857 CA LYS A 58 -9.245 -0.986 -4.180 1.00 0.00 C ATOM 858 C LYS A 58 -7.968 -1.157 -5.004 1.00 0.00 C ATOM 859 O LYS A 58 -7.910 -2.002 -5.897 1.00 0.00 O ATOM 860 CB LYS A 58 -10.378 -1.926 -4.597 1.00 0.00 C ATOM 861 CG LYS A 58 -11.145 -2.436 -3.375 1.00 0.00 C ATOM 862 CD LYS A 58 -12.188 -3.480 -3.780 1.00 0.00 C ATOM 863 CE LYS A 58 -13.452 -2.811 -4.322 1.00 0.00 C ATOM 864 NZ LYS A 58 -14.429 -2.590 -3.232 1.00 0.00 N ATOM 0 H LYS A 58 -9.767 0.866 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.000 -1.257 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.061 -1.404 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.969 -2.770 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.448 -2.872 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.636 -1.601 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.769 -4.142 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.441 -4.100 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.196 -1.859 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.897 -3.435 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.281 -2.135 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.686 -3.503 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.007 -1.976 -2.506 1.00 0.00 H new ATOM 877 N CYS A 59 -6.976 -0.342 -4.677 1.00 0.00 N ATOM 878 CA CYS A 59 -5.704 -0.393 -5.376 1.00 0.00 C ATOM 879 C CYS A 59 -4.745 -1.267 -4.566 1.00 0.00 C ATOM 880 O CYS A 59 -4.085 -2.147 -5.117 1.00 0.00 O ATOM 881 CB CYS A 59 -5.134 1.007 -5.617 1.00 0.00 C ATOM 882 SG CYS A 59 -3.855 1.532 -4.418 1.00 0.00 S ATOM 0 H CYS A 59 -7.028 0.358 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.847 -0.831 -6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.708 1.043 -6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.952 1.726 -5.592 1.00 0.00 H new ATOM 887 N ASN A 60 -4.697 -0.995 -3.270 1.00 0.00 N ATOM 888 CA ASN A 60 -3.830 -1.746 -2.379 1.00 0.00 C ATOM 889 C ASN A 60 -4.495 -3.080 -2.032 1.00 0.00 C ATOM 890 O ASN A 60 -5.403 -3.525 -2.731 1.00 0.00 O ATOM 891 CB ASN A 60 -3.589 -0.984 -1.074 1.00 0.00 C ATOM 892 CG ASN A 60 -4.764 -1.162 -0.110 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.899 -1.367 -0.506 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.428 -1.072 1.174 1.00 0.00 N ATOM 0 H ASN A 60 -5.245 -0.264 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.878 -1.902 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.672 -1.340 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.447 0.075 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.141 -1.176 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.458 -0.899 1.436 1.00 0.00 H new TER 901 ASN A 60 HETATM 902 O HOH A 61 5.324 -10.585 2.712 1.00 0.00 O HETATM 905 O HOH A 62 4.837 -16.179 -6.896 1.00 0.00 O