USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 42 ASN : amide:sc= -0.36 X(o=-0.71,f=-0.23) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.346 X(o=-0.71,f=-0.23) USER MOD Set 2.1: A 21 CYS SG : rot -83:sc= -0.0803 USER MOD Set 2.2: A 23 ASN : amide:sc= -0.145 K(o=-3.1,f=-6!) USER MOD Set 2.3: A 26 CYS SG : rot -130:sc= 1.19 USER MOD Set 2.4: A 31 CYS SG : rot 144:sc= 0.465 USER MOD Set 2.5: A 34 CYS SG : rot -121:sc= -4.9! USER MOD Set 2.6: A 60 CYS SG : rot 140:sc= 0.425 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0241 (180deg=-0.169) USER MOD Single : A 8 HIS : no HD1:sc= -0.427 K(o=-0.43,f=0.096) USER MOD Single : A 13 TYR OH : rot -1:sc= 0.0917 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0815 X(o=-0.082,f=-0.29) USER MOD Single : A 16 GLN : amide:sc= 0.0987 K(o=0.099,f=-3.9!) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.803 USER MOD Single : A 27 THR OG1 : rot -57:sc= 0.131 USER MOD Single : A 28 ASN : amide:sc= 0.0385 K(o=0.038,f=-6.6!) USER MOD Single : A 33 SER OG : rot 100:sc= 0.106 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00228 USER MOD Single : A 40 MET CE :methyl 180:sc= -0.186 (180deg=-0.186) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0776) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.01 USER MOD Single : A 54 LYS NZ :NH3+ 122:sc= 0.0011 (180deg=-0.0256) USER MOD Single : A 56 ASN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 0.14 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 4.140 7.469 -3.145 1.00 0.00 N ATOM 65 CA ALA A 4 3.764 8.880 -2.945 1.00 0.00 C ATOM 66 C ALA A 4 4.794 9.828 -3.587 1.00 0.00 C ATOM 67 O ALA A 4 4.422 10.773 -4.287 1.00 0.00 O ATOM 68 CB ALA A 4 3.605 9.177 -1.445 1.00 0.00 C ATOM 0 HA ALA A 4 2.808 9.053 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.327 10.222 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.827 8.537 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.548 8.982 -0.934 1.00 0.00 H new ATOM 74 N ALA A 5 6.090 9.548 -3.350 1.00 0.00 N ATOM 75 CA ALA A 5 7.206 10.320 -3.946 1.00 0.00 C ATOM 76 C ALA A 5 7.249 10.126 -5.473 1.00 0.00 C ATOM 77 O ALA A 5 7.564 11.056 -6.221 1.00 0.00 O ATOM 78 CB ALA A 5 8.537 9.906 -3.300 1.00 0.00 C ATOM 0 H ALA A 5 6.395 8.786 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 5 7.043 11.380 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.351 10.479 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.498 10.102 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.708 8.843 -3.468 1.00 0.00 H new ATOM 84 N ALA A 6 6.905 8.901 -5.906 1.00 0.00 N ATOM 85 CA ALA A 6 6.807 8.531 -7.328 1.00 0.00 C ATOM 86 C ALA A 6 5.600 9.220 -7.995 1.00 0.00 C ATOM 87 O ALA A 6 5.679 9.624 -9.153 1.00 0.00 O ATOM 88 CB ALA A 6 6.704 7.005 -7.454 1.00 0.00 C ATOM 0 H ALA A 6 6.685 8.133 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 6 7.705 8.870 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.631 6.731 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.590 6.543 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.817 6.655 -6.926 1.00 0.00 H new ATOM 94 N LYS A 7 4.509 9.368 -7.222 1.00 0.00 N ATOM 95 CA LYS A 7 3.251 10.008 -7.667 1.00 0.00 C ATOM 96 C LYS A 7 3.462 11.515 -7.865 1.00 0.00 C ATOM 97 O LYS A 7 2.936 12.103 -8.808 1.00 0.00 O ATOM 98 CB LYS A 7 2.135 9.753 -6.622 1.00 0.00 C ATOM 99 CG LYS A 7 0.758 10.343 -6.989 1.00 0.00 C ATOM 100 CD LYS A 7 -0.336 9.995 -5.959 1.00 0.00 C ATOM 101 CE LYS A 7 -1.708 10.557 -6.352 1.00 0.00 C ATOM 102 NZ LYS A 7 -2.171 10.035 -7.666 1.00 0.00 N ATOM 0 H LYS A 7 4.473 9.043 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 7 2.949 9.574 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.028 8.678 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.450 10.170 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.842 11.427 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.459 9.972 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.405 8.912 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.051 10.388 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.438 10.302 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.656 11.645 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.175 10.273 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.609 10.465 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.054 9.002 -7.690 1.00 0.00 H new ATOM 116 N HIS A 8 4.243 12.117 -6.944 1.00 0.00 N ATOM 117 CA HIS A 8 4.666 13.525 -7.035 1.00 0.00 C ATOM 118 C HIS A 8 5.558 13.733 -8.266 1.00 0.00 C ATOM 119 O HIS A 8 5.400 14.716 -8.968 1.00 0.00 O ATOM 120 CB HIS A 8 5.396 13.996 -5.738 1.00 0.00 C ATOM 121 CG HIS A 8 4.466 14.446 -4.637 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.318 15.771 -4.289 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.642 13.755 -3.812 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.458 15.876 -3.303 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.027 14.669 -2.994 1.00 0.00 N ATOM 0 H HIS A 8 4.597 11.638 -6.116 1.00 0.00 H new ATOM 0 HA HIS A 8 3.769 14.135 -7.141 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.015 13.180 -5.365 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.068 14.817 -5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.497 12.685 -3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.155 16.796 -2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.347 14.450 -2.266 1.00 0.00 H new ATOM 134 N LEU A 9 6.459 12.769 -8.524 1.00 0.00 N ATOM 135 CA LEU A 9 7.399 12.815 -9.668 1.00 0.00 C ATOM 136 C LEU A 9 6.613 12.783 -11.009 1.00 0.00 C ATOM 137 O LEU A 9 6.907 13.557 -11.928 1.00 0.00 O ATOM 138 CB LEU A 9 8.443 11.645 -9.558 1.00 0.00 C ATOM 139 CG LEU A 9 9.950 12.017 -9.766 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.232 12.505 -11.198 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.407 13.059 -8.720 1.00 0.00 C ATOM 0 H LEU A 9 6.560 11.934 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 9 7.958 13.750 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.339 11.189 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.177 10.884 -10.291 1.00 0.00 H new ATOM 0 HG LEU A 9 10.533 11.108 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.289 12.752 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.975 11.718 -11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.632 13.391 -11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.457 13.302 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.805 13.962 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.282 12.648 -7.718 1.00 0.00 H new ATOM 153 N ILE A 10 5.587 11.907 -11.072 1.00 0.00 N ATOM 154 CA ILE A 10 4.646 11.826 -12.214 1.00 0.00 C ATOM 155 C ILE A 10 3.820 13.127 -12.324 1.00 0.00 C ATOM 156 O ILE A 10 3.520 13.576 -13.428 1.00 0.00 O ATOM 157 CB ILE A 10 3.653 10.601 -12.069 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.424 9.245 -12.054 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.582 10.594 -13.194 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.584 8.032 -11.677 1.00 0.00 C ATOM 0 H ILE A 10 5.386 11.234 -10.332 1.00 0.00 H new ATOM 0 HA ILE A 10 5.245 11.686 -13.114 1.00 0.00 H new ATOM 0 HB ILE A 10 3.141 10.720 -11.114 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.854 9.078 -13.041 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.255 9.325 -11.354 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.920 9.739 -13.060 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.000 11.515 -13.148 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.074 10.524 -14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.207 7.138 -11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.175 8.170 -10.676 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.768 7.919 -12.390 1.00 0.00 H new ATOM 172 N GLU A 11 3.469 13.707 -11.158 1.00 0.00 N ATOM 173 CA GLU A 11 2.661 14.943 -11.061 1.00 0.00 C ATOM 174 C GLU A 11 3.430 16.132 -11.673 1.00 0.00 C ATOM 175 O GLU A 11 2.826 17.039 -12.246 1.00 0.00 O ATOM 176 CB GLU A 11 2.293 15.233 -9.571 1.00 0.00 C ATOM 177 CG GLU A 11 1.188 16.292 -9.350 1.00 0.00 C ATOM 178 CD GLU A 11 -0.214 15.782 -9.737 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.881 15.154 -8.886 1.00 0.00 O ATOM 180 OE2 GLU A 11 -0.648 15.978 -10.897 1.00 0.00 O ATOM 0 H GLU A 11 3.740 13.329 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 11 1.737 14.805 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.975 14.300 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.193 15.559 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.184 16.593 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.421 17.181 -9.936 1.00 0.00 H new ATOM 187 N ARG A 12 4.776 16.090 -11.551 1.00 0.00 N ATOM 188 CA ARG A 12 5.674 17.117 -12.115 1.00 0.00 C ATOM 189 C ARG A 12 5.791 16.950 -13.641 1.00 0.00 C ATOM 190 O ARG A 12 5.853 17.940 -14.373 1.00 0.00 O ATOM 191 CB ARG A 12 7.078 17.056 -11.455 1.00 0.00 C ATOM 192 CG ARG A 12 7.044 17.117 -9.916 1.00 0.00 C ATOM 193 CD ARG A 12 8.423 17.297 -9.256 1.00 0.00 C ATOM 194 NE ARG A 12 8.827 18.712 -9.205 1.00 0.00 N ATOM 195 CZ ARG A 12 8.363 19.610 -8.309 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.454 19.271 -7.394 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.821 20.849 -8.333 1.00 0.00 N ATOM 0 H ARG A 12 5.267 15.344 -11.059 1.00 0.00 H new ATOM 0 HA ARG A 12 5.243 18.095 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.574 16.135 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.681 17.883 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.399 17.941 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.591 16.201 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.397 16.890 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.168 16.727 -9.811 1.00 0.00 H new ATOM 0 HE ARG A 12 9.505 19.037 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.095 18.317 -7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.118 19.966 -6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.520 21.121 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.476 21.533 -7.660 1.00 0.00 H new ATOM 211 N TYR A 13 5.830 15.682 -14.106 1.00 0.00 N ATOM 212 CA TYR A 13 5.798 15.362 -15.549 1.00 0.00 C ATOM 213 C TYR A 13 4.447 15.783 -16.165 1.00 0.00 C ATOM 214 O TYR A 13 4.413 16.358 -17.247 1.00 0.00 O ATOM 215 CB TYR A 13 6.076 13.850 -15.813 1.00 0.00 C ATOM 216 CG TYR A 13 7.562 13.447 -15.740 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.465 13.862 -16.730 1.00 0.00 C ATOM 218 CD2 TYR A 13 8.064 12.643 -14.711 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.797 13.494 -16.690 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.397 12.281 -14.672 1.00 0.00 C ATOM 221 CZ TYR A 13 10.255 12.705 -15.664 1.00 0.00 C ATOM 222 OH TYR A 13 11.580 12.335 -15.620 1.00 0.00 O ATOM 0 H TYR A 13 5.884 14.863 -13.501 1.00 0.00 H new ATOM 0 HA TYR A 13 6.595 15.929 -16.030 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.517 13.259 -15.087 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.691 13.590 -16.799 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.112 14.482 -17.541 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.398 12.299 -13.933 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.475 13.826 -17.463 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.766 11.666 -13.865 1.00 0.00 H new ATOM 0 HH TYR A 13 12.048 12.703 -16.398 1.00 0.00 H new ATOM 232 N TYR A 14 3.348 15.531 -15.435 1.00 0.00 N ATOM 233 CA TYR A 14 1.984 15.878 -15.880 1.00 0.00 C ATOM 234 C TYR A 14 1.830 17.399 -15.939 1.00 0.00 C ATOM 235 O TYR A 14 1.207 17.926 -16.867 1.00 0.00 O ATOM 236 CB TYR A 14 0.915 15.257 -14.939 1.00 0.00 C ATOM 237 CG TYR A 14 -0.532 15.583 -15.360 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.113 14.969 -16.472 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.302 16.527 -14.668 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.398 15.280 -16.872 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.587 16.836 -15.065 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.130 16.213 -16.168 1.00 0.00 C ATOM 243 OH TYR A 14 -4.407 16.524 -16.574 1.00 0.00 O ATOM 0 H TYR A 14 3.378 15.081 -14.520 1.00 0.00 H new ATOM 0 HA TYR A 14 1.829 15.465 -16.877 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.045 14.175 -14.917 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.081 15.618 -13.924 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.547 14.237 -17.029 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.881 17.023 -13.806 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.829 14.793 -17.735 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.165 17.563 -14.514 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.787 17.197 -15.972 1.00 0.00 H new ATOM 253 N HIS A 15 2.431 18.078 -14.940 1.00 0.00 N ATOM 254 CA HIS A 15 2.484 19.543 -14.875 1.00 0.00 C ATOM 255 C HIS A 15 3.211 20.073 -16.108 1.00 0.00 C ATOM 256 O HIS A 15 2.780 21.048 -16.699 1.00 0.00 O ATOM 257 CB HIS A 15 3.206 20.019 -13.584 1.00 0.00 C ATOM 258 CG HIS A 15 3.258 21.519 -13.414 1.00 0.00 C ATOM 259 ND1 HIS A 15 4.201 22.317 -14.028 1.00 0.00 N ATOM 260 CD2 HIS A 15 2.488 22.359 -12.683 1.00 0.00 C ATOM 261 CE1 HIS A 15 4.006 23.572 -13.685 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.974 23.627 -12.867 1.00 0.00 N ATOM 0 H HIS A 15 2.893 17.618 -14.155 1.00 0.00 H new ATOM 0 HA HIS A 15 1.466 19.931 -14.851 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.703 19.585 -12.720 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.224 19.631 -13.588 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.645 22.081 -12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.593 24.415 -14.018 1.00 0.00 H new ATOM 0 HE2 HIS A 15 2.599 24.474 -12.441 1.00 0.00 H new ATOM 271 N GLN A 16 4.299 19.377 -16.491 1.00 0.00 N ATOM 272 CA GLN A 16 5.114 19.723 -17.660 1.00 0.00 C ATOM 273 C GLN A 16 4.289 19.663 -18.969 1.00 0.00 C ATOM 274 O GLN A 16 4.387 20.578 -19.785 1.00 0.00 O ATOM 275 CB GLN A 16 6.362 18.805 -17.737 1.00 0.00 C ATOM 276 CG GLN A 16 7.281 19.077 -18.939 1.00 0.00 C ATOM 277 CD GLN A 16 8.491 18.152 -19.016 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.552 18.468 -18.498 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.339 17.004 -19.654 1.00 0.00 N ATOM 0 H GLN A 16 4.635 18.554 -15.991 1.00 0.00 H new ATOM 0 HA GLN A 16 5.452 20.753 -17.544 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.940 18.922 -16.820 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.032 17.767 -17.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.701 18.977 -19.857 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.628 20.109 -18.892 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.440 16.770 -20.076 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.121 16.352 -19.725 1.00 0.00 H new ATOM 288 N LEU A 17 3.462 18.609 -19.152 1.00 0.00 N ATOM 289 CA LEU A 17 2.610 18.485 -20.367 1.00 0.00 C ATOM 290 C LEU A 17 1.488 19.553 -20.397 1.00 0.00 C ATOM 291 O LEU A 17 1.143 20.054 -21.469 1.00 0.00 O ATOM 292 CB LEU A 17 1.960 17.069 -20.514 1.00 0.00 C ATOM 293 CG LEU A 17 2.854 15.888 -21.038 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.743 16.306 -22.226 1.00 0.00 C ATOM 295 CD2 LEU A 17 3.677 15.228 -19.923 1.00 0.00 C ATOM 0 H LEU A 17 3.363 17.841 -18.488 1.00 0.00 H new ATOM 0 HA LEU A 17 3.288 18.643 -21.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.567 16.781 -19.539 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.107 17.163 -21.186 1.00 0.00 H new ATOM 0 HG LEU A 17 2.161 15.132 -21.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.341 15.454 -22.550 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.114 16.643 -23.050 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.403 17.117 -21.919 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.275 14.419 -20.342 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.335 15.969 -19.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.005 14.827 -19.164 1.00 0.00 H new ATOM 307 N THR A 18 0.901 19.871 -19.223 1.00 0.00 N ATOM 308 CA THR A 18 -0.286 20.749 -19.142 1.00 0.00 C ATOM 309 C THR A 18 0.101 22.231 -18.998 1.00 0.00 C ATOM 310 O THR A 18 -0.165 23.034 -19.895 1.00 0.00 O ATOM 311 CB THR A 18 -1.226 20.314 -17.968 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.478 20.258 -16.741 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.879 18.944 -18.227 1.00 0.00 C ATOM 0 H THR A 18 1.230 19.533 -18.319 1.00 0.00 H new ATOM 0 HA THR A 18 -0.827 20.640 -20.082 1.00 0.00 H new ATOM 0 HB THR A 18 -2.020 21.057 -17.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.059 19.439 -16.723 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.522 18.683 -17.387 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.474 18.991 -19.139 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.103 18.187 -18.339 1.00 0.00 H new ATOM 321 N GLU A 19 0.722 22.581 -17.863 1.00 0.00 N ATOM 322 CA GLU A 19 1.083 23.970 -17.527 1.00 0.00 C ATOM 323 C GLU A 19 2.429 24.364 -18.180 1.00 0.00 C ATOM 324 O GLU A 19 2.557 25.436 -18.793 1.00 0.00 O ATOM 325 CB GLU A 19 1.172 24.122 -15.984 1.00 0.00 C ATOM 326 CG GLU A 19 -0.090 23.709 -15.197 1.00 0.00 C ATOM 327 CD GLU A 19 -1.326 24.585 -15.475 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.455 25.674 -14.860 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.183 24.192 -16.299 1.00 0.00 O ATOM 0 H GLU A 19 0.991 21.906 -17.147 1.00 0.00 H new ATOM 0 HA GLU A 19 0.312 24.636 -17.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.012 23.526 -15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.398 25.163 -15.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.331 22.674 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.133 23.744 -14.131 1.00 0.00 H new ATOM 336 N GLY A 20 3.415 23.467 -18.048 1.00 0.00 N ATOM 337 CA GLY A 20 4.783 23.716 -18.474 1.00 0.00 C ATOM 338 C GLY A 20 5.619 24.248 -17.326 1.00 0.00 C ATOM 339 O GLY A 20 5.939 23.507 -16.392 1.00 0.00 O ATOM 0 H GLY A 20 3.276 22.543 -17.638 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.224 22.794 -18.853 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.788 24.433 -19.295 1.00 0.00 H new ATOM 343 N CYS A 21 5.973 25.536 -17.413 1.00 0.00 N ATOM 344 CA CYS A 21 6.738 26.249 -16.365 1.00 0.00 C ATOM 345 C CYS A 21 6.457 27.760 -16.371 1.00 0.00 C ATOM 346 O CYS A 21 7.059 28.498 -15.583 1.00 0.00 O ATOM 347 CB CYS A 21 8.245 25.992 -16.564 1.00 0.00 C ATOM 348 SG CYS A 21 8.818 26.303 -18.260 1.00 0.00 S ATOM 0 H CYS A 21 5.739 26.122 -18.214 1.00 0.00 H new ATOM 0 HA CYS A 21 6.418 25.864 -15.397 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.807 26.626 -15.878 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.467 24.959 -16.298 1.00 0.00 H new ATOM 0 HG CYS A 21 8.576 25.260 -18.998 1.00 0.00 H new ATOM 353 N GLY A 22 5.546 28.225 -17.261 1.00 0.00 N ATOM 354 CA GLY A 22 5.279 29.660 -17.403 1.00 0.00 C ATOM 355 C GLY A 22 6.191 30.346 -18.421 1.00 0.00 C ATOM 356 O GLY A 22 5.787 31.334 -19.033 1.00 0.00 O ATOM 0 H GLY A 22 4.995 27.629 -17.879 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.240 29.802 -17.702 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.400 30.143 -16.433 1.00 0.00 H new ATOM 360 N ASN A 23 7.442 29.840 -18.552 1.00 0.00 N ATOM 361 CA ASN A 23 8.491 30.415 -19.429 1.00 0.00 C ATOM 362 C ASN A 23 8.011 30.617 -20.879 1.00 0.00 C ATOM 363 O ASN A 23 7.349 29.740 -21.455 1.00 0.00 O ATOM 364 CB ASN A 23 9.749 29.499 -19.468 1.00 0.00 C ATOM 365 CG ASN A 23 10.447 29.295 -18.122 1.00 0.00 C ATOM 366 OD1 ASN A 23 9.819 29.280 -17.064 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.755 29.110 -18.161 1.00 0.00 N ATOM 0 H ASN A 23 7.754 29.011 -18.046 1.00 0.00 H new ATOM 0 HA ASN A 23 8.733 31.386 -18.998 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.457 28.524 -19.860 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.466 29.923 -20.171 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.273 28.949 -17.297 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.246 29.128 -19.055 1.00 0.00 H new ATOM 374 N GLU A 24 8.363 31.784 -21.446 1.00 0.00 N ATOM 375 CA GLU A 24 8.196 32.066 -22.876 1.00 0.00 C ATOM 376 C GLU A 24 9.258 31.276 -23.666 1.00 0.00 C ATOM 377 O GLU A 24 8.938 30.457 -24.536 1.00 0.00 O ATOM 378 CB GLU A 24 8.337 33.595 -23.126 1.00 0.00 C ATOM 379 CG GLU A 24 8.148 34.053 -24.589 1.00 0.00 C ATOM 380 CD GLU A 24 6.748 33.737 -25.153 1.00 0.00 C ATOM 381 OE1 GLU A 24 5.820 34.559 -24.983 1.00 0.00 O ATOM 382 OE2 GLU A 24 6.561 32.662 -25.765 1.00 0.00 O ATOM 0 H GLU A 24 8.772 32.557 -20.922 1.00 0.00 H new ATOM 0 HA GLU A 24 7.205 31.758 -23.210 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.608 34.115 -22.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.325 33.910 -22.790 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.323 35.127 -24.651 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.900 33.571 -25.213 1.00 0.00 H new ATOM 389 N ALA A 25 10.530 31.530 -23.326 1.00 0.00 N ATOM 390 CA ALA A 25 11.674 30.796 -23.873 1.00 0.00 C ATOM 391 C ALA A 25 12.031 29.622 -22.947 1.00 0.00 C ATOM 392 O ALA A 25 12.636 29.809 -21.879 1.00 0.00 O ATOM 393 CB ALA A 25 12.871 31.741 -24.062 1.00 0.00 C ATOM 0 H ALA A 25 10.793 32.256 -22.659 1.00 0.00 H new ATOM 0 HA ALA A 25 11.410 30.392 -24.850 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.714 31.183 -24.469 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.598 32.540 -24.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.151 32.171 -23.100 1.00 0.00 H new ATOM 399 N CYS A 26 11.605 28.421 -23.345 1.00 0.00 N ATOM 400 CA CYS A 26 11.949 27.162 -22.673 1.00 0.00 C ATOM 401 C CYS A 26 12.292 26.107 -23.732 1.00 0.00 C ATOM 402 O CYS A 26 11.428 25.721 -24.533 1.00 0.00 O ATOM 403 CB CYS A 26 10.789 26.671 -21.786 1.00 0.00 C ATOM 404 SG CYS A 26 11.073 25.016 -21.068 1.00 0.00 S ATOM 0 H CYS A 26 11.001 28.292 -24.157 1.00 0.00 H new ATOM 0 HA CYS A 26 12.811 27.330 -22.027 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.631 27.386 -20.979 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.873 26.650 -22.377 1.00 0.00 H new ATOM 0 HG CYS A 26 10.031 24.267 -21.278 1.00 0.00 H new ATOM 409 N THR A 27 13.556 25.645 -23.739 1.00 0.00 N ATOM 410 CA THR A 27 14.082 24.721 -24.763 1.00 0.00 C ATOM 411 C THR A 27 13.899 23.237 -24.330 1.00 0.00 C ATOM 412 O THR A 27 14.851 22.447 -24.220 1.00 0.00 O ATOM 413 CB THR A 27 15.578 25.079 -25.103 1.00 0.00 C ATOM 414 OG1 THR A 27 16.106 24.196 -26.100 1.00 0.00 O ATOM 415 CG2 THR A 27 16.499 25.062 -23.870 1.00 0.00 C ATOM 0 H THR A 27 14.245 25.903 -23.032 1.00 0.00 H new ATOM 0 HA THR A 27 13.505 24.842 -25.680 1.00 0.00 H new ATOM 0 HB THR A 27 15.557 26.099 -25.486 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.023 23.269 -25.793 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.515 25.317 -24.171 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.144 25.790 -23.140 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.491 24.068 -23.424 1.00 0.00 H new ATOM 423 N ASN A 28 12.625 22.867 -24.101 1.00 0.00 N ATOM 424 CA ASN A 28 12.231 21.501 -23.713 1.00 0.00 C ATOM 425 C ASN A 28 11.046 21.061 -24.600 1.00 0.00 C ATOM 426 O ASN A 28 9.977 21.681 -24.586 1.00 0.00 O ATOM 427 CB ASN A 28 11.887 21.440 -22.192 1.00 0.00 C ATOM 428 CG ASN A 28 11.544 20.029 -21.642 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.971 19.187 -22.322 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.903 19.768 -20.397 1.00 0.00 N ATOM 0 H ASN A 28 11.837 23.510 -24.180 1.00 0.00 H new ATOM 0 HA ASN A 28 13.058 20.809 -23.870 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.733 21.835 -21.630 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.041 22.101 -22.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.703 18.854 -19.990 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.380 20.480 -19.844 1.00 0.00 H new ATOM 437 N GLU A 29 11.280 19.966 -25.336 1.00 0.00 N ATOM 438 CA GLU A 29 10.370 19.413 -26.361 1.00 0.00 C ATOM 439 C GLU A 29 9.062 18.840 -25.767 1.00 0.00 C ATOM 440 O GLU A 29 8.034 18.793 -26.449 1.00 0.00 O ATOM 441 CB GLU A 29 11.149 18.321 -27.142 1.00 0.00 C ATOM 442 CG GLU A 29 11.721 17.202 -26.249 1.00 0.00 C ATOM 443 CD GLU A 29 12.795 16.351 -26.938 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.448 15.340 -27.592 1.00 0.00 O ATOM 445 OE2 GLU A 29 14.002 16.685 -26.818 1.00 0.00 O ATOM 0 H GLU A 29 12.135 19.419 -25.235 1.00 0.00 H new ATOM 0 HA GLU A 29 10.057 20.220 -27.023 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.486 17.877 -27.884 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.967 18.792 -27.687 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.145 17.648 -25.350 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.906 16.553 -25.929 1.00 0.00 H new ATOM 452 N PHE A 30 9.126 18.406 -24.498 1.00 0.00 N ATOM 453 CA PHE A 30 7.989 17.782 -23.783 1.00 0.00 C ATOM 454 C PHE A 30 7.268 18.786 -22.851 1.00 0.00 C ATOM 455 O PHE A 30 6.357 18.398 -22.106 1.00 0.00 O ATOM 456 CB PHE A 30 8.501 16.577 -22.952 1.00 0.00 C ATOM 457 CG PHE A 30 9.128 15.451 -23.776 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.400 14.817 -24.782 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.429 15.014 -23.530 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.954 13.781 -25.515 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.981 13.983 -24.265 1.00 0.00 C ATOM 462 CZ PHE A 30 10.243 13.366 -25.258 1.00 0.00 C ATOM 0 H PHE A 30 9.971 18.476 -23.931 1.00 0.00 H new ATOM 0 HA PHE A 30 7.268 17.448 -24.530 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.238 16.936 -22.233 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.669 16.169 -22.379 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.391 15.138 -24.992 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.013 15.488 -22.755 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.376 13.298 -26.289 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.991 13.658 -24.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.676 12.560 -25.832 1.00 0.00 H new ATOM 472 N CYS A 31 7.665 20.067 -22.903 1.00 0.00 N ATOM 473 CA CYS A 31 7.175 21.099 -21.964 1.00 0.00 C ATOM 474 C CYS A 31 6.158 22.011 -22.642 1.00 0.00 C ATOM 475 O CYS A 31 6.393 22.482 -23.751 1.00 0.00 O ATOM 476 CB CYS A 31 8.354 21.934 -21.435 1.00 0.00 C ATOM 477 SG CYS A 31 7.935 23.065 -20.070 1.00 0.00 S ATOM 0 H CYS A 31 8.330 20.419 -23.591 1.00 0.00 H new ATOM 0 HA CYS A 31 6.686 20.597 -21.129 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.139 21.257 -21.099 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.767 22.517 -22.258 1.00 0.00 H new ATOM 0 HG CYS A 31 8.930 23.126 -19.236 1.00 0.00 H new ATOM 482 N ALA A 32 5.048 22.281 -21.950 1.00 0.00 N ATOM 483 CA ALA A 32 4.006 23.196 -22.418 1.00 0.00 C ATOM 484 C ALA A 32 4.475 24.641 -22.251 1.00 0.00 C ATOM 485 O ALA A 32 5.416 24.905 -21.477 1.00 0.00 O ATOM 486 CB ALA A 32 2.688 22.918 -21.680 1.00 0.00 C ATOM 0 H ALA A 32 4.846 21.866 -21.040 1.00 0.00 H new ATOM 0 HA ALA A 32 3.818 23.033 -23.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.920 23.604 -22.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.374 21.892 -21.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.834 23.060 -20.609 1.00 0.00 H new ATOM 492 N SER A 33 3.845 25.554 -23.016 1.00 0.00 N ATOM 493 CA SER A 33 4.276 26.962 -23.140 1.00 0.00 C ATOM 494 C SER A 33 5.665 27.068 -23.826 1.00 0.00 C ATOM 495 O SER A 33 6.327 28.104 -23.729 1.00 0.00 O ATOM 496 CB SER A 33 4.268 27.686 -21.758 1.00 0.00 C ATOM 497 OG SER A 33 3.011 27.552 -21.109 1.00 0.00 O ATOM 0 H SER A 33 3.017 25.334 -23.569 1.00 0.00 H new ATOM 0 HA SER A 33 3.553 27.470 -23.778 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.052 27.272 -21.124 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.496 28.743 -21.898 1.00 0.00 H new ATOM 0 HG SER A 33 3.063 26.839 -20.439 1.00 0.00 H new ATOM 503 N CYS A 34 6.105 25.976 -24.515 1.00 0.00 N ATOM 504 CA CYS A 34 7.340 25.970 -25.324 1.00 0.00 C ATOM 505 C CYS A 34 6.984 25.843 -26.824 1.00 0.00 C ATOM 506 O CYS A 34 6.015 25.156 -27.160 1.00 0.00 O ATOM 507 CB CYS A 34 8.230 24.798 -24.876 1.00 0.00 C ATOM 508 SG CYS A 34 8.504 24.768 -23.096 1.00 0.00 S ATOM 0 H CYS A 34 5.610 25.084 -24.519 1.00 0.00 H new ATOM 0 HA CYS A 34 7.883 26.904 -25.179 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.769 23.860 -25.184 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.191 24.863 -25.386 1.00 0.00 H new ATOM 0 HG CYS A 34 9.778 24.852 -22.852 1.00 0.00 H new ATOM 514 N PRO A 35 7.773 26.482 -27.754 1.00 0.00 N ATOM 515 CA PRO A 35 7.503 26.418 -29.224 1.00 0.00 C ATOM 516 C PRO A 35 7.807 25.027 -29.835 1.00 0.00 C ATOM 517 O PRO A 35 7.468 24.760 -30.991 1.00 0.00 O ATOM 518 CB PRO A 35 8.448 27.509 -29.793 1.00 0.00 C ATOM 519 CG PRO A 35 9.597 27.532 -28.831 1.00 0.00 C ATOM 520 CD PRO A 35 8.987 27.310 -27.463 1.00 0.00 C ATOM 0 HA PRO A 35 6.451 26.580 -29.460 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.778 27.264 -30.803 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.952 28.478 -29.846 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.322 26.753 -29.068 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.126 28.484 -28.875 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.676 26.792 -26.795 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.725 28.252 -26.982 1.00 0.00 H new ATOM 528 N THR A 36 8.450 24.160 -29.042 1.00 0.00 N ATOM 529 CA THR A 36 8.837 22.801 -29.445 1.00 0.00 C ATOM 530 C THR A 36 7.793 21.752 -29.002 1.00 0.00 C ATOM 531 O THR A 36 7.998 20.548 -29.200 1.00 0.00 O ATOM 532 CB THR A 36 10.242 22.471 -28.841 1.00 0.00 C ATOM 533 OG1 THR A 36 10.222 22.720 -27.421 1.00 0.00 O ATOM 534 CG2 THR A 36 11.350 23.315 -29.496 1.00 0.00 C ATOM 0 H THR A 36 8.721 24.387 -28.085 1.00 0.00 H new ATOM 0 HA THR A 36 8.884 22.761 -30.533 1.00 0.00 H new ATOM 0 HB THR A 36 10.458 21.421 -29.036 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.101 22.512 -27.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.312 23.060 -29.052 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.378 23.111 -30.566 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.145 24.373 -29.334 1.00 0.00 H new ATOM 542 N PHE A 37 6.667 22.221 -28.423 1.00 0.00 N ATOM 543 CA PHE A 37 5.573 21.343 -27.962 1.00 0.00 C ATOM 544 C PHE A 37 4.225 21.876 -28.475 1.00 0.00 C ATOM 545 O PHE A 37 3.977 23.086 -28.449 1.00 0.00 O ATOM 546 CB PHE A 37 5.584 21.233 -26.420 1.00 0.00 C ATOM 547 CG PHE A 37 4.507 20.314 -25.832 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.564 18.937 -26.024 1.00 0.00 C ATOM 549 CD2 PHE A 37 3.443 20.831 -25.086 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.595 18.107 -25.495 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.478 20.002 -24.556 1.00 0.00 C ATOM 552 CZ PHE A 37 2.553 18.640 -24.760 1.00 0.00 C ATOM 0 H PHE A 37 6.492 23.213 -28.263 1.00 0.00 H new ATOM 0 HA PHE A 37 5.721 20.342 -28.367 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.562 20.872 -26.103 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.460 22.230 -25.998 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.377 18.512 -26.594 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.377 21.897 -24.923 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.652 17.041 -25.656 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.664 20.418 -23.981 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.797 17.990 -24.345 1.00 0.00 H new ATOM 562 N LEU A 38 3.363 20.953 -28.945 1.00 0.00 N ATOM 563 CA LEU A 38 2.025 21.274 -29.475 1.00 0.00 C ATOM 564 C LEU A 38 0.949 20.937 -28.433 1.00 0.00 C ATOM 565 O LEU A 38 1.189 20.140 -27.518 1.00 0.00 O ATOM 566 CB LEU A 38 1.747 20.502 -30.806 1.00 0.00 C ATOM 567 CG LEU A 38 2.581 20.934 -32.063 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.508 22.460 -32.284 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.048 20.443 -31.991 1.00 0.00 C ATOM 0 H LEU A 38 3.578 19.956 -28.967 1.00 0.00 H new ATOM 0 HA LEU A 38 1.992 22.342 -29.689 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.927 19.442 -30.627 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.689 20.610 -31.047 1.00 0.00 H new ATOM 0 HG LEU A 38 2.129 20.448 -32.927 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.095 22.729 -33.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.470 22.756 -32.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.907 22.974 -31.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.584 20.767 -32.883 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.529 20.861 -31.107 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.065 19.355 -31.932 1.00 0.00 H new ATOM 581 N ARG A 39 -0.239 21.536 -28.608 1.00 0.00 N ATOM 582 CA ARG A 39 -1.383 21.360 -27.702 1.00 0.00 C ATOM 583 C ARG A 39 -1.952 19.930 -27.832 1.00 0.00 C ATOM 584 O ARG A 39 -2.266 19.471 -28.937 1.00 0.00 O ATOM 585 CB ARG A 39 -2.467 22.437 -27.992 1.00 0.00 C ATOM 586 CG ARG A 39 -1.960 23.896 -27.900 1.00 0.00 C ATOM 587 CD ARG A 39 -1.360 24.240 -26.528 1.00 0.00 C ATOM 588 NE ARG A 39 -0.897 25.633 -26.454 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.494 26.259 -25.335 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.475 25.632 -24.158 1.00 0.00 N ATOM 591 NH2 ARG A 39 -0.114 27.520 -25.392 1.00 0.00 N ATOM 0 H ARG A 39 -0.434 22.162 -29.390 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.050 21.492 -26.673 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.871 22.268 -28.990 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.289 22.306 -27.288 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.208 24.062 -28.671 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.786 24.575 -28.109 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.107 24.066 -25.754 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.525 23.571 -26.321 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.880 26.168 -27.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.770 24.658 -24.094 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.165 26.127 -23.322 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.127 28.017 -26.283 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.193 27.999 -24.545 1.00 0.00 H new ATOM 605 N MET A 40 -2.065 19.247 -26.686 1.00 0.00 N ATOM 606 CA MET A 40 -2.496 17.833 -26.593 1.00 0.00 C ATOM 607 C MET A 40 -3.938 17.727 -26.050 1.00 0.00 C ATOM 608 O MET A 40 -4.662 18.728 -25.976 1.00 0.00 O ATOM 609 CB MET A 40 -1.482 17.048 -25.689 1.00 0.00 C ATOM 610 CG MET A 40 -1.143 17.747 -24.354 1.00 0.00 C ATOM 611 SD MET A 40 -2.598 18.064 -23.329 1.00 0.00 S ATOM 612 CE MET A 40 -1.969 19.231 -22.130 1.00 0.00 C ATOM 0 H MET A 40 -1.858 19.662 -25.778 1.00 0.00 H new ATOM 0 HA MET A 40 -2.500 17.389 -27.589 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.894 16.062 -25.474 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.559 16.893 -26.249 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.440 17.129 -23.795 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.640 18.691 -24.563 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.765 19.508 -21.439 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.149 18.776 -21.575 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.609 20.122 -22.644 1.00 0.00 H new ATOM 622 N ASP A 41 -4.347 16.494 -25.707 1.00 0.00 N ATOM 623 CA ASP A 41 -5.606 16.213 -24.989 1.00 0.00 C ATOM 624 C ASP A 41 -5.279 15.839 -23.528 1.00 0.00 C ATOM 625 O ASP A 41 -4.145 15.453 -23.233 1.00 0.00 O ATOM 626 CB ASP A 41 -6.370 15.061 -25.699 1.00 0.00 C ATOM 627 CG ASP A 41 -7.731 14.724 -25.058 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.716 15.446 -25.325 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.811 13.761 -24.268 1.00 0.00 O ATOM 0 H ASP A 41 -3.809 15.655 -25.922 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.244 17.097 -24.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.529 15.333 -26.743 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.746 14.167 -25.694 1.00 0.00 H new ATOM 634 N ASN A 42 -6.282 15.948 -22.636 1.00 0.00 N ATOM 635 CA ASN A 42 -6.142 15.661 -21.188 1.00 0.00 C ATOM 636 C ASN A 42 -5.664 14.212 -20.926 1.00 0.00 C ATOM 637 O ASN A 42 -4.809 13.976 -20.068 1.00 0.00 O ATOM 638 CB ASN A 42 -7.490 15.941 -20.458 1.00 0.00 C ATOM 639 CG ASN A 42 -8.616 14.968 -20.842 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.879 13.988 -20.147 1.00 0.00 O ATOM 641 ND2 ASN A 42 -9.271 15.216 -21.958 1.00 0.00 N ATOM 0 H ASN A 42 -7.223 16.240 -22.899 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.375 16.324 -20.789 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.328 15.888 -19.381 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.809 16.959 -20.682 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.015 14.588 -22.263 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.034 16.036 -22.517 1.00 0.00 H new ATOM 648 N ASN A 43 -6.209 13.263 -21.710 1.00 0.00 N ATOM 649 CA ASN A 43 -5.849 11.839 -21.632 1.00 0.00 C ATOM 650 C ASN A 43 -4.425 11.621 -22.159 1.00 0.00 C ATOM 651 O ASN A 43 -3.668 10.829 -21.604 1.00 0.00 O ATOM 652 CB ASN A 43 -6.855 10.976 -22.446 1.00 0.00 C ATOM 653 CG ASN A 43 -8.312 11.051 -21.961 1.00 0.00 C ATOM 654 OD1 ASN A 43 -9.238 10.989 -22.766 1.00 0.00 O ATOM 655 ND2 ASN A 43 -8.532 11.156 -20.659 1.00 0.00 N ATOM 0 H ASN A 43 -6.915 13.466 -22.418 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.891 11.531 -20.587 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.818 11.289 -23.490 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.529 9.936 -22.413 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.488 11.187 -20.304 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.746 11.206 -20.011 1.00 0.00 H new ATOM 662 N ALA A 44 -4.078 12.357 -23.235 1.00 0.00 N ATOM 663 CA ALA A 44 -2.745 12.294 -23.869 1.00 0.00 C ATOM 664 C ALA A 44 -1.655 12.833 -22.925 1.00 0.00 C ATOM 665 O ALA A 44 -0.532 12.329 -22.914 1.00 0.00 O ATOM 666 CB ALA A 44 -2.750 13.070 -25.193 1.00 0.00 C ATOM 0 H ALA A 44 -4.715 13.012 -23.689 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.515 11.249 -24.078 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.762 13.016 -25.650 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.486 12.634 -25.868 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.005 14.113 -25.003 1.00 0.00 H new ATOM 672 N ALA A 45 -2.023 13.844 -22.120 1.00 0.00 N ATOM 673 CA ALA A 45 -1.137 14.452 -21.115 1.00 0.00 C ATOM 674 C ALA A 45 -0.872 13.470 -19.966 1.00 0.00 C ATOM 675 O ALA A 45 0.239 13.414 -19.434 1.00 0.00 O ATOM 676 CB ALA A 45 -1.758 15.751 -20.585 1.00 0.00 C ATOM 0 H ALA A 45 -2.952 14.265 -22.149 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.183 14.688 -21.585 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.095 16.194 -19.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.898 16.450 -21.409 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.723 15.533 -20.127 1.00 0.00 H new ATOM 682 N ALA A 46 -1.915 12.704 -19.596 1.00 0.00 N ATOM 683 CA ALA A 46 -1.835 11.685 -18.536 1.00 0.00 C ATOM 684 C ALA A 46 -0.943 10.499 -18.951 1.00 0.00 C ATOM 685 O ALA A 46 -0.074 10.062 -18.178 1.00 0.00 O ATOM 686 CB ALA A 46 -3.244 11.206 -18.162 1.00 0.00 C ATOM 0 H ALA A 46 -2.838 12.775 -20.025 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.373 12.142 -17.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.176 10.452 -17.377 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.832 12.051 -17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.726 10.774 -19.039 1.00 0.00 H new ATOM 692 N ILE A 47 -1.168 9.994 -20.184 1.00 0.00 N ATOM 693 CA ILE A 47 -0.384 8.884 -20.758 1.00 0.00 C ATOM 694 C ILE A 47 1.084 9.298 -20.884 1.00 0.00 C ATOM 695 O ILE A 47 1.968 8.584 -20.408 1.00 0.00 O ATOM 696 CB ILE A 47 -0.937 8.430 -22.173 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.397 7.875 -22.057 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.006 7.385 -22.850 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.548 6.647 -21.163 1.00 0.00 C ATOM 0 H ILE A 47 -1.897 10.345 -20.806 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.475 8.034 -20.082 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.955 9.316 -22.808 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.042 8.666 -21.675 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.756 7.626 -23.056 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.421 7.100 -23.817 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.984 7.818 -22.993 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.073 6.503 -22.215 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.593 6.336 -21.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.935 5.835 -21.553 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.225 6.892 -20.151 1.00 0.00 H new ATOM 711 N LYS A 48 1.321 10.481 -21.482 1.00 0.00 N ATOM 712 CA LYS A 48 2.678 10.973 -21.755 1.00 0.00 C ATOM 713 C LYS A 48 3.416 11.294 -20.441 1.00 0.00 C ATOM 714 O LYS A 48 4.625 11.159 -20.384 1.00 0.00 O ATOM 715 CB LYS A 48 2.652 12.199 -22.711 1.00 0.00 C ATOM 716 CG LYS A 48 4.009 12.518 -23.391 1.00 0.00 C ATOM 717 CD LYS A 48 4.535 11.337 -24.253 1.00 0.00 C ATOM 718 CE LYS A 48 5.837 11.668 -25.008 1.00 0.00 C ATOM 719 NZ LYS A 48 5.634 12.691 -26.068 1.00 0.00 N ATOM 0 H LYS A 48 0.582 11.115 -21.786 1.00 0.00 H new ATOM 0 HA LYS A 48 3.230 10.181 -22.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.905 12.023 -23.485 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.328 13.075 -22.149 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.898 13.401 -24.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.746 12.762 -22.626 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.705 10.474 -23.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.768 11.051 -24.973 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.583 12.027 -24.299 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.235 10.758 -25.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.490 12.757 -26.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.826 12.419 -26.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.445 13.614 -25.628 1.00 0.00 H new ATOM 733 N ALA A 49 2.671 11.671 -19.381 1.00 0.00 N ATOM 734 CA ALA A 49 3.240 11.873 -18.025 1.00 0.00 C ATOM 735 C ALA A 49 3.882 10.571 -17.508 1.00 0.00 C ATOM 736 O ALA A 49 5.014 10.573 -17.005 1.00 0.00 O ATOM 737 CB ALA A 49 2.151 12.358 -17.056 1.00 0.00 C ATOM 0 H ALA A 49 1.667 11.843 -19.436 1.00 0.00 H new ATOM 0 HA ALA A 49 4.015 12.637 -18.086 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.583 12.502 -16.066 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.740 13.302 -17.413 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.356 11.614 -17.001 1.00 0.00 H new ATOM 743 N LEU A 50 3.137 9.468 -17.675 1.00 0.00 N ATOM 744 CA LEU A 50 3.603 8.116 -17.306 1.00 0.00 C ATOM 745 C LEU A 50 4.751 7.643 -18.224 1.00 0.00 C ATOM 746 O LEU A 50 5.680 6.990 -17.743 1.00 0.00 O ATOM 747 CB LEU A 50 2.416 7.099 -17.321 1.00 0.00 C ATOM 748 CG LEU A 50 1.599 6.959 -15.993 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.453 6.318 -14.872 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.020 8.311 -15.534 1.00 0.00 C ATOM 0 H LEU A 50 2.196 9.484 -18.068 1.00 0.00 H new ATOM 0 HA LEU A 50 3.997 8.165 -16.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.728 7.389 -18.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.811 6.118 -17.584 1.00 0.00 H new ATOM 0 HG LEU A 50 0.761 6.295 -16.202 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.857 6.235 -13.963 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.778 5.326 -15.185 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.326 6.942 -14.678 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.460 8.172 -14.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.834 9.016 -15.363 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.356 8.703 -16.305 1.00 0.00 H new ATOM 762 N GLU A 51 4.674 7.974 -19.533 1.00 0.00 N ATOM 763 CA GLU A 51 5.722 7.629 -20.514 1.00 0.00 C ATOM 764 C GLU A 51 7.057 8.271 -20.102 1.00 0.00 C ATOM 765 O GLU A 51 8.046 7.574 -19.905 1.00 0.00 O ATOM 766 CB GLU A 51 5.341 8.101 -21.951 1.00 0.00 C ATOM 767 CG GLU A 51 4.089 7.443 -22.571 1.00 0.00 C ATOM 768 CD GLU A 51 4.195 5.911 -22.691 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.164 5.418 -23.316 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.310 5.190 -22.175 1.00 0.00 O ATOM 0 H GLU A 51 3.888 8.485 -19.935 1.00 0.00 H new ATOM 0 HA GLU A 51 5.820 6.543 -20.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.186 9.180 -21.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.189 7.914 -22.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.219 7.692 -21.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.919 7.866 -23.561 1.00 0.00 H new ATOM 777 N LEU A 52 7.026 9.605 -19.918 1.00 0.00 N ATOM 778 CA LEU A 52 8.211 10.423 -19.593 1.00 0.00 C ATOM 779 C LEU A 52 8.836 10.010 -18.257 1.00 0.00 C ATOM 780 O LEU A 52 10.058 10.098 -18.083 1.00 0.00 O ATOM 781 CB LEU A 52 7.854 11.930 -19.583 1.00 0.00 C ATOM 782 CG LEU A 52 7.293 12.520 -20.911 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.048 14.031 -20.783 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.194 12.196 -22.117 1.00 0.00 C ATOM 0 H LEU A 52 6.168 10.151 -19.992 1.00 0.00 H new ATOM 0 HA LEU A 52 8.952 10.246 -20.373 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.119 12.101 -18.796 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.748 12.491 -19.311 1.00 0.00 H new ATOM 0 HG LEU A 52 6.333 12.038 -21.098 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.657 14.417 -21.724 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.327 14.217 -19.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.986 14.533 -20.547 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.762 12.628 -23.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.187 12.616 -21.953 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.272 11.115 -22.233 1.00 0.00 H new ATOM 796 N TYR A 53 7.985 9.558 -17.331 1.00 0.00 N ATOM 797 CA TYR A 53 8.421 9.034 -16.039 1.00 0.00 C ATOM 798 C TYR A 53 9.260 7.751 -16.230 1.00 0.00 C ATOM 799 O TYR A 53 10.420 7.692 -15.819 1.00 0.00 O ATOM 800 CB TYR A 53 7.183 8.785 -15.126 1.00 0.00 C ATOM 801 CG TYR A 53 7.525 8.172 -13.757 1.00 0.00 C ATOM 802 CD1 TYR A 53 8.057 8.953 -12.725 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.352 6.806 -13.513 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.407 8.390 -11.511 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.691 6.249 -12.301 1.00 0.00 C ATOM 806 CZ TYR A 53 8.222 7.040 -11.305 1.00 0.00 C ATOM 807 OH TYR A 53 8.585 6.472 -10.102 1.00 0.00 O ATOM 0 H TYR A 53 6.973 9.546 -17.459 1.00 0.00 H new ATOM 0 HA TYR A 53 9.060 9.768 -15.548 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.665 9.731 -14.969 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.489 8.124 -15.645 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.197 10.013 -12.879 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.945 6.176 -14.290 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.824 9.006 -10.728 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.541 5.193 -12.131 1.00 0.00 H new ATOM 0 HH TYR A 53 8.387 5.512 -10.120 1.00 0.00 H new ATOM 817 N LYS A 54 8.673 6.750 -16.906 1.00 0.00 N ATOM 818 CA LYS A 54 9.257 5.397 -16.990 1.00 0.00 C ATOM 819 C LYS A 54 10.406 5.301 -18.017 1.00 0.00 C ATOM 820 O LYS A 54 11.165 4.334 -17.985 1.00 0.00 O ATOM 821 CB LYS A 54 8.151 4.356 -17.285 1.00 0.00 C ATOM 822 CG LYS A 54 7.474 4.497 -18.666 1.00 0.00 C ATOM 823 CD LYS A 54 6.293 3.513 -18.841 1.00 0.00 C ATOM 824 CE LYS A 54 5.591 3.655 -20.196 1.00 0.00 C ATOM 825 NZ LYS A 54 6.494 3.353 -21.337 1.00 0.00 N ATOM 0 H LYS A 54 7.790 6.851 -17.406 1.00 0.00 H new ATOM 0 HA LYS A 54 9.702 5.176 -16.020 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.583 3.358 -17.209 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.386 4.432 -16.512 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.115 5.519 -18.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.211 4.321 -19.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.659 2.492 -18.733 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.568 3.678 -18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.732 2.985 -20.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.207 4.670 -20.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.092 2.579 -21.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.596 4.200 -21.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.427 3.069 -20.976 1.00 0.00 H new ATOM 839 N ILE A 55 10.528 6.284 -18.931 1.00 0.00 N ATOM 840 CA ILE A 55 11.664 6.350 -19.890 1.00 0.00 C ATOM 841 C ILE A 55 12.792 7.239 -19.328 1.00 0.00 C ATOM 842 O ILE A 55 13.922 7.194 -19.832 1.00 0.00 O ATOM 843 CB ILE A 55 11.229 6.885 -21.313 1.00 0.00 C ATOM 844 CG1 ILE A 55 10.766 8.380 -21.251 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.139 5.963 -21.933 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.145 8.918 -22.531 1.00 0.00 C ATOM 0 H ILE A 55 9.857 7.046 -19.030 1.00 0.00 H new ATOM 0 HA ILE A 55 12.024 5.329 -20.018 1.00 0.00 H new ATOM 0 HB ILE A 55 12.100 6.856 -21.967 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.043 8.487 -20.442 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.625 9.000 -20.994 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.852 6.347 -22.912 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.535 4.953 -22.041 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.266 5.943 -21.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.858 9.959 -22.386 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.869 8.851 -23.343 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.262 8.330 -22.782 1.00 0.00 H new ATOM 858 N ASN A 56 12.464 8.036 -18.278 1.00 0.00 N ATOM 859 CA ASN A 56 13.376 9.029 -17.668 1.00 0.00 C ATOM 860 C ASN A 56 13.743 10.114 -18.700 1.00 0.00 C ATOM 861 O ASN A 56 14.875 10.180 -19.201 1.00 0.00 O ATOM 862 CB ASN A 56 14.644 8.361 -17.040 1.00 0.00 C ATOM 863 CG ASN A 56 14.388 7.534 -15.764 1.00 0.00 C ATOM 864 OD1 ASN A 56 15.273 7.414 -14.913 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.211 6.931 -15.625 1.00 0.00 N ATOM 0 H ASN A 56 11.549 8.004 -17.829 1.00 0.00 H new ATOM 0 HA ASN A 56 12.851 9.508 -16.842 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.101 7.713 -17.788 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.369 9.141 -16.808 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.026 6.356 -14.803 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.493 7.043 -16.340 1.00 0.00 H new ATOM 872 N ALA A 57 12.731 10.916 -19.055 1.00 0.00 N ATOM 873 CA ALA A 57 12.868 12.041 -19.988 1.00 0.00 C ATOM 874 C ALA A 57 13.297 13.331 -19.257 1.00 0.00 C ATOM 875 O ALA A 57 13.438 13.350 -18.024 1.00 0.00 O ATOM 876 CB ALA A 57 11.545 12.260 -20.736 1.00 0.00 C ATOM 0 H ALA A 57 11.783 10.800 -18.698 1.00 0.00 H new ATOM 0 HA ALA A 57 13.650 11.796 -20.707 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.652 13.096 -21.427 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.289 11.359 -21.293 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.754 12.481 -20.019 1.00 0.00 H new ATOM 882 N LYS A 58 13.515 14.393 -20.050 1.00 0.00 N ATOM 883 CA LYS A 58 13.919 15.721 -19.561 1.00 0.00 C ATOM 884 C LYS A 58 12.751 16.393 -18.788 1.00 0.00 C ATOM 885 O LYS A 58 11.779 16.875 -19.387 1.00 0.00 O ATOM 886 CB LYS A 58 14.434 16.581 -20.765 1.00 0.00 C ATOM 887 CG LYS A 58 13.466 16.658 -21.982 1.00 0.00 C ATOM 888 CD LYS A 58 14.171 16.979 -23.324 1.00 0.00 C ATOM 889 CE LYS A 58 14.767 18.393 -23.394 1.00 0.00 C ATOM 890 NZ LYS A 58 15.469 18.626 -24.689 1.00 0.00 N ATOM 0 H LYS A 58 13.414 14.352 -21.064 1.00 0.00 H new ATOM 0 HA LYS A 58 14.741 15.628 -18.851 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.630 17.593 -20.411 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.386 16.172 -21.103 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.941 15.708 -22.077 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.712 17.421 -21.787 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.966 16.252 -23.488 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.455 16.857 -24.137 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.973 19.130 -23.271 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.465 18.536 -22.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.368 19.624 -24.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.478 18.396 -24.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.051 18.021 -25.424 1.00 0.00 H new ATOM 904 N LEU A 59 12.827 16.329 -17.444 1.00 0.00 N ATOM 905 CA LEU A 59 11.858 16.973 -16.544 1.00 0.00 C ATOM 906 C LEU A 59 12.249 18.447 -16.333 1.00 0.00 C ATOM 907 O LEU A 59 13.410 18.755 -16.025 1.00 0.00 O ATOM 908 CB LEU A 59 11.776 16.228 -15.181 1.00 0.00 C ATOM 909 CG LEU A 59 10.746 16.799 -14.144 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.321 16.885 -14.735 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.741 15.971 -12.838 1.00 0.00 C ATOM 0 H LEU A 59 13.566 15.826 -16.953 1.00 0.00 H new ATOM 0 HA LEU A 59 10.871 16.926 -17.005 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.526 15.185 -15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.765 16.239 -14.724 1.00 0.00 H new ATOM 0 HG LEU A 59 11.069 17.812 -13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.639 17.285 -13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.327 17.540 -15.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.990 15.890 -15.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.017 16.394 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.469 14.939 -13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.733 15.995 -12.388 1.00 0.00 H new ATOM 923 N CYS A 60 11.267 19.341 -16.503 1.00 0.00 N ATOM 924 CA CYS A 60 11.467 20.795 -16.441 1.00 0.00 C ATOM 925 C CYS A 60 11.115 21.343 -15.055 1.00 0.00 C ATOM 926 O CYS A 60 11.693 22.342 -14.610 1.00 0.00 O ATOM 927 CB CYS A 60 10.622 21.482 -17.529 1.00 0.00 C ATOM 928 SG CYS A 60 10.929 23.264 -17.669 1.00 0.00 S ATOM 0 H CYS A 60 10.301 19.073 -16.689 1.00 0.00 H new ATOM 0 HA CYS A 60 12.521 21.009 -16.621 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.828 21.010 -18.490 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.566 21.319 -17.314 1.00 0.00 H new ATOM 0 HG CYS A 60 10.930 23.607 -18.923 1.00 0.00 H new