USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0271) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -100:sc= -0.405 USER MOD Single : A 11 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.32) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00622) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0348) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 42 MET CE :methyl 137:sc= -1.11 (180deg=-4.61!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -2.5! C(o=-2.5!,f=-6.2!) USER MOD Single : A 50 ASN : amide:sc= -0.132 K(o=-0.13,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot 67:sc= 1.14 USER MOD Single : A 54 GLN : amide:sc= -5.8 K(o=-5.8,f=-11!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.0845 K(o=0.085,f=-2.1!) USER MOD Single : A 65 CYS SG : rot -166:sc= -0.432 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= -0.267 (180deg=-1.43) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.082 7.382 -2.284 1.00 0.00 N ATOM 58 CA LYS A 2 15.783 8.423 -3.026 1.00 0.00 C ATOM 59 C LYS A 2 17.264 8.085 -3.170 1.00 0.00 C ATOM 60 O LYS A 2 17.728 7.063 -2.665 1.00 0.00 O ATOM 61 CB LYS A 2 15.624 9.774 -2.325 1.00 0.00 C ATOM 62 CG LYS A 2 14.199 10.299 -2.332 1.00 0.00 C ATOM 63 CD LYS A 2 13.733 10.627 -3.741 1.00 0.00 C ATOM 64 CE LYS A 2 12.774 11.808 -3.750 1.00 0.00 C ATOM 65 NZ LYS A 2 11.544 11.529 -2.958 1.00 0.00 N ATOM 0 HA LYS A 2 15.343 8.483 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.963 9.681 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.273 10.504 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.534 9.556 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.136 11.192 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.596 10.853 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.243 9.756 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.276 12.687 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.498 12.044 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.866 12.307 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.115 10.639 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.791 11.446 -1.951 1.00 0.00 H new ATOM 79 N GLU A 3 17.999 8.949 -3.862 1.00 0.00 N ATOM 80 CA GLU A 3 19.427 8.741 -4.071 1.00 0.00 C ATOM 81 C GLU A 3 20.188 10.061 -3.985 1.00 0.00 C ATOM 82 O GLU A 3 19.669 11.114 -4.358 1.00 0.00 O ATOM 83 CB GLU A 3 19.675 8.084 -5.430 1.00 0.00 C ATOM 84 CG GLU A 3 19.532 9.039 -6.603 1.00 0.00 C ATOM 85 CD GLU A 3 18.885 8.387 -7.810 1.00 0.00 C ATOM 86 OE1 GLU A 3 19.543 7.539 -8.450 1.00 0.00 O ATOM 87 OE2 GLU A 3 17.723 8.724 -8.116 1.00 0.00 O ATOM 0 H GLU A 3 17.630 9.799 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 3 19.791 8.080 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.678 7.657 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.976 7.258 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.936 9.899 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.516 9.416 -6.882 1.00 0.00 H new ATOM 94 N ILE A 4 21.420 9.996 -3.493 1.00 0.00 N ATOM 95 CA ILE A 4 22.253 11.185 -3.358 1.00 0.00 C ATOM 96 C ILE A 4 23.525 11.062 -4.190 1.00 0.00 C ATOM 97 O ILE A 4 24.168 10.012 -4.207 1.00 0.00 O ATOM 98 CB ILE A 4 22.636 11.441 -1.889 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.392 12.765 -1.759 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.475 10.291 -1.352 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.895 12.613 -1.834 1.00 0.00 C ATOM 0 H ILE A 4 21.864 9.132 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 4 21.663 12.026 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 4 21.723 11.506 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 4 23.064 13.441 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.129 13.232 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.738 10.487 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 4 22.904 9.364 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.385 10.197 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.365 13.591 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.236 11.963 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.169 12.175 -2.794 1.00 0.00 H new ATOM 113 N ILE A 5 23.883 12.142 -4.876 1.00 0.00 N ATOM 114 CA ILE A 5 25.081 12.155 -5.707 1.00 0.00 C ATOM 115 C ILE A 5 25.891 13.428 -5.483 1.00 0.00 C ATOM 116 O ILE A 5 25.339 14.477 -5.150 1.00 0.00 O ATOM 117 CB ILE A 5 24.729 12.040 -7.202 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.599 11.029 -7.407 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.958 11.639 -8.005 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.217 10.835 -8.857 1.00 0.00 C ATOM 0 H ILE A 5 23.361 13.019 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 5 25.678 11.291 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 5 24.388 13.013 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.901 10.069 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.722 11.359 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.694 11.562 -9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.736 12.392 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.325 10.676 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.410 10.105 -8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.884 11.785 -9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.081 10.475 -9.416 1.00 0.00 H new ATOM 132 N LEU A 6 27.202 13.328 -5.671 1.00 0.00 N ATOM 133 CA LEU A 6 28.089 14.472 -5.492 1.00 0.00 C ATOM 134 C LEU A 6 28.912 14.726 -6.751 1.00 0.00 C ATOM 135 O LEU A 6 29.742 13.903 -7.138 1.00 0.00 O ATOM 136 CB LEU A 6 29.019 14.240 -4.300 1.00 0.00 C ATOM 137 CG LEU A 6 29.102 12.803 -3.783 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.426 12.566 -3.074 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.935 12.503 -2.853 1.00 0.00 C ATOM 0 H LEU A 6 27.674 12.467 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 6 27.473 15.350 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.022 14.563 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.694 14.881 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 6 29.045 12.126 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.467 11.538 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.247 12.739 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.515 13.251 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.010 11.476 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.961 13.186 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.997 12.631 -3.393 1.00 0.00 H new ATOM 151 N TYR A 7 28.678 15.869 -7.384 1.00 0.00 N ATOM 152 CA TYR A 7 29.397 16.231 -8.600 1.00 0.00 C ATOM 153 C TYR A 7 30.538 17.196 -8.291 1.00 0.00 C ATOM 154 O TYR A 7 30.311 18.361 -7.962 1.00 0.00 O ATOM 155 CB TYR A 7 28.441 16.862 -9.614 1.00 0.00 C ATOM 156 CG TYR A 7 27.407 15.900 -10.152 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.672 15.117 -11.269 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.164 15.773 -9.543 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.730 14.237 -11.765 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.217 14.894 -10.031 1.00 0.00 C ATOM 161 CZ TYR A 7 25.504 14.128 -11.142 1.00 0.00 C ATOM 162 OH TYR A 7 24.562 13.252 -11.631 1.00 0.00 O ATOM 0 H TYR A 7 27.996 16.562 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 7 29.820 15.321 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.932 17.704 -9.145 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.020 17.262 -10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.632 15.198 -11.758 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.935 16.372 -8.674 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.952 13.638 -12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.256 14.807 -9.545 1.00 0.00 H new ATOM 0 HH TYR A 7 23.755 13.297 -11.077 1.00 0.00 H new ATOM 172 N THR A 8 31.767 16.702 -8.400 1.00 0.00 N ATOM 173 CA THR A 8 32.945 17.517 -8.133 1.00 0.00 C ATOM 174 C THR A 8 34.226 16.754 -8.448 1.00 0.00 C ATOM 175 O THR A 8 34.183 15.598 -8.871 1.00 0.00 O ATOM 176 CB THR A 8 32.986 17.981 -6.664 1.00 0.00 C ATOM 177 OG1 THR A 8 32.007 17.269 -5.899 1.00 0.00 O ATOM 178 CG2 THR A 8 32.728 19.477 -6.562 1.00 0.00 C ATOM 0 H THR A 8 31.972 15.741 -8.672 1.00 0.00 H new ATOM 0 HA THR A 8 32.877 18.391 -8.781 1.00 0.00 H new ATOM 0 HB THR A 8 33.979 17.772 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.214 17.832 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.762 19.782 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.492 20.017 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.746 19.706 -6.975 1.00 0.00 H new ATOM 186 N ARG A 9 35.365 17.406 -8.239 1.00 0.00 N ATOM 187 CA ARG A 9 36.659 16.787 -8.502 1.00 0.00 C ATOM 188 C ARG A 9 37.165 16.040 -7.271 1.00 0.00 C ATOM 189 O ARG A 9 36.789 16.337 -6.137 1.00 0.00 O ATOM 190 CB ARG A 9 37.679 17.847 -8.923 1.00 0.00 C ATOM 191 CG ARG A 9 37.764 19.024 -7.966 1.00 0.00 C ATOM 192 CD ARG A 9 39.101 19.740 -8.081 1.00 0.00 C ATOM 193 NE ARG A 9 39.074 20.793 -9.092 1.00 0.00 N ATOM 194 CZ ARG A 9 40.166 21.351 -9.602 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.366 20.958 -9.197 1.00 0.00 N ATOM 196 NH2 ARG A 9 40.059 22.303 -10.520 1.00 0.00 N ATOM 0 H ARG A 9 35.418 18.362 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 9 36.533 16.071 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.662 17.382 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.419 18.215 -9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.956 19.724 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.624 18.674 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.365 20.172 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.878 19.018 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 9 38.166 21.118 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 9 41.452 20.226 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.203 21.388 -9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.138 22.607 -10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 9 40.898 22.731 -10.911 1.00 0.00 H new ATOM 210 N PRO A 10 38.037 15.047 -7.499 1.00 0.00 N ATOM 211 CA PRO A 10 38.613 14.237 -6.421 1.00 0.00 C ATOM 212 C PRO A 10 39.590 15.029 -5.559 1.00 0.00 C ATOM 213 O PRO A 10 39.991 16.136 -5.917 1.00 0.00 O ATOM 214 CB PRO A 10 39.345 13.120 -7.169 1.00 0.00 C ATOM 215 CG PRO A 10 39.660 13.701 -8.504 1.00 0.00 C ATOM 216 CD PRO A 10 38.529 14.638 -8.825 1.00 0.00 C ATOM 0 HA PRO A 10 37.851 13.878 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.252 12.820 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.721 12.231 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.612 14.231 -8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.746 12.920 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.869 15.493 -9.409 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.751 14.144 -9.407 1.00 0.00 H new ATOM 224 N ASN A 11 39.968 14.455 -4.422 1.00 0.00 N ATOM 225 CA ASN A 11 40.898 15.109 -3.508 1.00 0.00 C ATOM 226 C ASN A 11 40.302 16.400 -2.956 1.00 0.00 C ATOM 227 O ASN A 11 41.022 17.269 -2.464 1.00 0.00 O ATOM 228 CB ASN A 11 42.219 15.408 -4.220 1.00 0.00 C ATOM 229 CG ASN A 11 42.614 14.312 -5.191 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.571 13.127 -4.858 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.000 14.703 -6.399 1.00 0.00 N ATOM 0 H ASN A 11 39.645 13.539 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 11 41.086 14.432 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 11 42.133 16.352 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 11 43.008 15.534 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 11 43.276 14.011 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.020 15.696 -6.631 1.00 0.00 H new ATOM 238 N CYS A 12 38.981 16.519 -3.041 1.00 0.00 N ATOM 239 CA CYS A 12 38.286 17.703 -2.550 1.00 0.00 C ATOM 240 C CYS A 12 38.051 17.611 -1.045 1.00 0.00 C ATOM 241 O CYS A 12 37.391 16.697 -0.550 1.00 0.00 O ATOM 242 CB CYS A 12 36.951 17.874 -3.277 1.00 0.00 C ATOM 243 SG CYS A 12 35.870 16.409 -3.201 1.00 0.00 S ATOM 0 H CYS A 12 38.370 15.809 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 12 38.914 18.571 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.422 18.725 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.147 18.114 -4.322 1.00 0.00 H new ATOM 248 N PRO A 13 38.602 18.580 -0.300 1.00 0.00 N ATOM 249 CA PRO A 13 38.466 18.631 1.159 1.00 0.00 C ATOM 250 C PRO A 13 37.044 18.968 1.596 1.00 0.00 C ATOM 251 O PRO A 13 36.504 18.351 2.514 1.00 0.00 O ATOM 252 CB PRO A 13 39.430 19.748 1.566 1.00 0.00 C ATOM 253 CG PRO A 13 39.534 20.617 0.361 1.00 0.00 C ATOM 254 CD PRO A 13 39.401 19.700 -0.824 1.00 0.00 C ATOM 0 HA PRO A 13 38.686 17.670 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.052 20.304 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.403 19.347 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 13 38.751 21.375 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.488 21.144 0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.903 20.192 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.374 19.366 -1.185 1.00 0.00 H new ATOM 262 N TYR A 14 36.444 19.951 0.934 1.00 0.00 N ATOM 263 CA TYR A 14 35.086 20.372 1.257 1.00 0.00 C ATOM 264 C TYR A 14 34.132 19.181 1.257 1.00 0.00 C ATOM 265 O TYR A 14 33.200 19.116 2.059 1.00 0.00 O ATOM 266 CB TYR A 14 34.604 21.424 0.256 1.00 0.00 C ATOM 267 CG TYR A 14 35.354 22.734 0.348 1.00 0.00 C ATOM 268 CD1 TYR A 14 36.577 22.903 -0.288 1.00 0.00 C ATOM 269 CD2 TYR A 14 34.838 23.803 1.070 1.00 0.00 C ATOM 270 CE1 TYR A 14 37.265 24.098 -0.207 1.00 0.00 C ATOM 271 CE2 TYR A 14 35.518 25.002 1.156 1.00 0.00 C ATOM 272 CZ TYR A 14 36.732 25.145 0.517 1.00 0.00 C ATOM 273 OH TYR A 14 37.414 26.337 0.599 1.00 0.00 O ATOM 0 H TYR A 14 36.877 20.471 0.171 1.00 0.00 H new ATOM 0 HA TYR A 14 35.096 20.807 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.706 21.026 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.543 21.610 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 14 36.997 22.086 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 14 33.888 23.694 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 14 38.215 24.212 -0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 14 35.101 25.823 1.720 1.00 0.00 H new ATOM 0 HH TYR A 14 36.902 26.970 1.145 1.00 0.00 H new ATOM 283 N CYS A 15 34.373 18.238 0.352 1.00 0.00 N ATOM 284 CA CYS A 15 33.538 17.048 0.246 1.00 0.00 C ATOM 285 C CYS A 15 33.471 16.310 1.580 1.00 0.00 C ATOM 286 O CYS A 15 32.512 15.588 1.856 1.00 0.00 O ATOM 287 CB CYS A 15 34.079 16.114 -0.838 1.00 0.00 C ATOM 288 SG CYS A 15 34.102 16.847 -2.506 1.00 0.00 S ATOM 0 H CYS A 15 35.140 18.275 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 15 32.531 17.365 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.092 15.813 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.472 15.209 -0.859 1.00 0.00 H new ATOM 293 N LYS A 16 34.495 16.496 2.405 1.00 0.00 N ATOM 294 CA LYS A 16 34.554 15.851 3.712 1.00 0.00 C ATOM 295 C LYS A 16 33.250 16.053 4.477 1.00 0.00 C ATOM 296 O LYS A 16 32.746 15.131 5.119 1.00 0.00 O ATOM 297 CB LYS A 16 35.726 16.404 4.525 1.00 0.00 C ATOM 298 CG LYS A 16 37.085 15.946 4.022 1.00 0.00 C ATOM 299 CD LYS A 16 38.216 16.662 4.741 1.00 0.00 C ATOM 300 CE LYS A 16 38.572 15.970 6.048 1.00 0.00 C ATOM 301 NZ LYS A 16 39.402 14.754 5.823 1.00 0.00 N ATOM 0 H LYS A 16 35.297 17.089 2.192 1.00 0.00 H new ATOM 0 HA LYS A 16 34.702 14.782 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.689 17.493 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.611 16.100 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.184 14.870 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.159 16.131 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.094 16.697 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.926 17.693 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.112 16.665 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.658 15.694 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.251 14.082 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.129 14.309 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.406 15.021 5.786 1.00 0.00 H new ATOM 315 N ARG A 17 32.708 17.264 4.404 1.00 0.00 N ATOM 316 CA ARG A 17 31.463 17.587 5.091 1.00 0.00 C ATOM 317 C ARG A 17 30.307 16.760 4.536 1.00 0.00 C ATOM 318 O ARG A 17 29.600 16.085 5.284 1.00 0.00 O ATOM 319 CB ARG A 17 31.151 19.078 4.951 1.00 0.00 C ATOM 320 CG ARG A 17 32.041 19.969 5.802 1.00 0.00 C ATOM 321 CD ARG A 17 31.718 21.441 5.594 1.00 0.00 C ATOM 322 NE ARG A 17 32.495 22.302 6.480 1.00 0.00 N ATOM 323 CZ ARG A 17 32.483 23.629 6.413 1.00 0.00 C ATOM 324 NH1 ARG A 17 31.736 24.243 5.505 1.00 0.00 N ATOM 325 NH2 ARG A 17 33.218 24.344 7.254 1.00 0.00 N ATOM 0 H ARG A 17 33.111 18.038 3.876 1.00 0.00 H new ATOM 0 HA ARG A 17 31.586 17.346 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.257 19.366 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.110 19.250 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.915 19.713 6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.086 19.786 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.918 21.713 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 17 30.655 21.607 5.768 1.00 0.00 H new ATOM 0 HE ARG A 17 33.080 21.861 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 17 31.169 23.696 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 17 31.728 25.262 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 17 33.794 23.875 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 17 33.208 25.363 7.201 1.00 0.00 H new ATOM 339 N ALA A 18 30.121 16.819 3.222 1.00 0.00 N ATOM 340 CA ALA A 18 29.052 16.074 2.567 1.00 0.00 C ATOM 341 C ALA A 18 29.195 14.576 2.815 1.00 0.00 C ATOM 342 O ALA A 18 28.286 13.935 3.343 1.00 0.00 O ATOM 343 CB ALA A 18 29.044 16.365 1.074 1.00 0.00 C ATOM 0 H ALA A 18 30.696 17.375 2.589 1.00 0.00 H new ATOM 0 HA ALA A 18 28.103 16.398 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.241 15.802 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.885 17.431 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.000 16.070 0.641 1.00 0.00 H new ATOM 349 N ARG A 19 30.341 14.024 2.431 1.00 0.00 N ATOM 350 CA ARG A 19 30.602 12.601 2.611 1.00 0.00 C ATOM 351 C ARG A 19 30.369 12.184 4.060 1.00 0.00 C ATOM 352 O ARG A 19 29.901 11.078 4.330 1.00 0.00 O ATOM 353 CB ARG A 19 32.036 12.267 2.197 1.00 0.00 C ATOM 354 CG ARG A 19 33.082 12.727 3.200 1.00 0.00 C ATOM 355 CD ARG A 19 34.484 12.333 2.764 1.00 0.00 C ATOM 356 NE ARG A 19 35.381 12.150 3.902 1.00 0.00 N ATOM 357 CZ ARG A 19 36.704 12.104 3.795 1.00 0.00 C ATOM 358 NH1 ARG A 19 37.281 12.227 2.608 1.00 0.00 N ATOM 359 NH2 ARG A 19 37.453 11.935 4.877 1.00 0.00 N ATOM 0 H ARG A 19 31.104 14.541 1.993 1.00 0.00 H new ATOM 0 HA ARG A 19 29.910 12.048 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.124 11.189 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.243 12.728 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.026 13.810 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.868 12.292 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.438 11.409 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.888 13.101 2.104 1.00 0.00 H new ATOM 0 HE ARG A 19 34.969 12.052 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.709 12.357 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 19 38.297 12.191 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 19 37.013 11.840 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.469 11.900 4.794 1.00 0.00 H new ATOM 373 N ASP A 20 30.698 13.076 4.987 1.00 0.00 N ATOM 374 CA ASP A 20 30.525 12.802 6.409 1.00 0.00 C ATOM 375 C ASP A 20 29.045 12.770 6.779 1.00 0.00 C ATOM 376 O ASP A 20 28.618 11.964 7.606 1.00 0.00 O ATOM 377 CB ASP A 20 31.251 13.856 7.246 1.00 0.00 C ATOM 378 CG ASP A 20 30.960 13.719 8.728 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.256 12.646 9.294 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.438 14.685 9.321 1.00 0.00 O ATOM 0 H ASP A 20 31.086 13.996 4.779 1.00 0.00 H new ATOM 0 HA ASP A 20 30.955 11.823 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.325 13.771 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.954 14.850 6.911 1.00 0.00 H new ATOM 385 N LEU A 21 28.268 13.654 6.163 1.00 0.00 N ATOM 386 CA LEU A 21 26.835 13.728 6.429 1.00 0.00 C ATOM 387 C LEU A 21 26.136 12.438 6.014 1.00 0.00 C ATOM 388 O LEU A 21 25.432 11.816 6.811 1.00 0.00 O ATOM 389 CB LEU A 21 26.220 14.916 5.686 1.00 0.00 C ATOM 390 CG LEU A 21 24.829 15.349 6.149 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.845 16.800 6.604 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.810 15.149 5.037 1.00 0.00 C ATOM 0 H LEU A 21 28.605 14.329 5.477 1.00 0.00 H new ATOM 0 HA LEU A 21 26.696 13.865 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.894 15.767 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.168 14.668 4.626 1.00 0.00 H new ATOM 0 HG LEU A 21 24.540 14.727 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.846 17.090 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.544 16.914 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.156 17.437 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.826 15.463 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.096 15.745 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.778 14.096 4.758 1.00 0.00 H new ATOM 404 N LEU A 22 26.337 12.038 4.763 1.00 0.00 N ATOM 405 CA LEU A 22 25.728 10.819 4.242 1.00 0.00 C ATOM 406 C LEU A 22 26.265 9.589 4.967 1.00 0.00 C ATOM 407 O LEU A 22 25.502 8.707 5.361 1.00 0.00 O ATOM 408 CB LEU A 22 25.992 10.696 2.740 1.00 0.00 C ATOM 409 CG LEU A 22 25.410 11.805 1.863 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.269 12.509 2.580 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.493 12.800 1.473 1.00 0.00 C ATOM 0 H LEU A 22 26.917 12.540 4.091 1.00 0.00 H new ATOM 0 HA LEU A 22 24.653 10.877 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.070 10.664 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.591 9.742 2.398 1.00 0.00 H new ATOM 0 HG LEU A 22 25.015 11.353 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.867 13.295 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.483 11.789 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.638 12.948 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.061 13.582 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.918 13.246 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.277 12.285 0.918 1.00 0.00 H new ATOM 423 N ASP A 23 27.581 9.540 5.142 1.00 0.00 N ATOM 424 CA ASP A 23 28.220 8.420 5.823 1.00 0.00 C ATOM 425 C ASP A 23 27.730 8.309 7.264 1.00 0.00 C ATOM 426 O ASP A 23 27.640 7.214 7.818 1.00 0.00 O ATOM 427 CB ASP A 23 29.740 8.581 5.799 1.00 0.00 C ATOM 428 CG ASP A 23 30.461 7.355 6.324 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.442 7.137 7.554 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.044 6.613 5.506 1.00 0.00 O ATOM 0 H ASP A 23 28.226 10.263 4.822 1.00 0.00 H new ATOM 0 HA ASP A 23 27.951 7.505 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.065 8.780 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.020 9.448 6.398 1.00 0.00 H new ATOM 435 N LYS A 24 27.416 9.451 7.866 1.00 0.00 N ATOM 436 CA LYS A 24 26.935 9.484 9.242 1.00 0.00 C ATOM 437 C LYS A 24 25.478 9.039 9.320 1.00 0.00 C ATOM 438 O LYS A 24 25.072 8.374 10.274 1.00 0.00 O ATOM 439 CB LYS A 24 27.081 10.894 9.821 1.00 0.00 C ATOM 440 CG LYS A 24 28.461 11.180 10.385 1.00 0.00 C ATOM 441 CD LYS A 24 28.672 10.488 11.721 1.00 0.00 C ATOM 442 CE LYS A 24 28.003 11.249 12.855 1.00 0.00 C ATOM 443 NZ LYS A 24 28.818 12.413 13.299 1.00 0.00 N ATOM 0 H LYS A 24 27.486 10.367 7.422 1.00 0.00 H new ATOM 0 HA LYS A 24 27.539 8.792 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.858 11.623 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.340 11.033 10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.220 10.847 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.589 12.256 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.271 9.475 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.740 10.399 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.022 11.595 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.841 10.577 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.328 12.905 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.745 12.081 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.951 13.068 12.502 1.00 0.00 H new ATOM 457 N LYS A 25 24.696 9.408 8.312 1.00 0.00 N ATOM 458 CA LYS A 25 23.285 9.044 8.264 1.00 0.00 C ATOM 459 C LYS A 25 23.116 7.555 7.980 1.00 0.00 C ATOM 460 O LYS A 25 22.170 6.927 8.452 1.00 0.00 O ATOM 461 CB LYS A 25 22.562 9.864 7.193 1.00 0.00 C ATOM 462 CG LYS A 25 21.840 11.082 7.744 1.00 0.00 C ATOM 463 CD LYS A 25 22.817 12.101 8.307 1.00 0.00 C ATOM 464 CE LYS A 25 22.123 13.081 9.241 1.00 0.00 C ATOM 465 NZ LYS A 25 23.048 13.602 10.285 1.00 0.00 N ATOM 0 H LYS A 25 25.016 9.960 7.516 1.00 0.00 H new ATOM 0 HA LYS A 25 22.846 9.262 9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.286 10.188 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.841 9.225 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.247 11.543 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.145 10.772 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.613 11.585 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.287 12.647 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.723 13.913 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.276 12.589 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.537 14.266 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.410 12.811 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.843 14.094 9.830 1.00 0.00 H new ATOM 479 N GLY A 26 24.042 6.996 7.206 1.00 0.00 N ATOM 480 CA GLY A 26 23.977 5.585 6.874 1.00 0.00 C ATOM 481 C GLY A 26 23.321 5.335 5.530 1.00 0.00 C ATOM 482 O GLY A 26 22.426 4.498 5.414 1.00 0.00 O ATOM 0 H GLY A 26 24.835 7.495 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.985 5.170 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.422 5.058 7.650 1.00 0.00 H new ATOM 486 N VAL A 27 23.767 6.063 4.511 1.00 0.00 N ATOM 487 CA VAL A 27 23.217 5.917 3.169 1.00 0.00 C ATOM 488 C VAL A 27 24.320 5.667 2.147 1.00 0.00 C ATOM 489 O VAL A 27 25.506 5.694 2.478 1.00 0.00 O ATOM 490 CB VAL A 27 22.419 7.166 2.750 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.999 7.098 3.291 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.119 8.430 3.225 1.00 0.00 C ATOM 0 H VAL A 27 24.508 6.760 4.590 1.00 0.00 H new ATOM 0 HA VAL A 27 22.547 5.058 3.194 1.00 0.00 H new ATOM 0 HB VAL A 27 22.367 7.194 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.450 7.989 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.502 6.212 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.026 7.045 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.541 9.302 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.204 8.413 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.115 8.482 2.784 1.00 0.00 H new ATOM 502 N LYS A 28 23.923 5.423 0.903 1.00 0.00 N ATOM 503 CA LYS A 28 24.877 5.169 -0.170 1.00 0.00 C ATOM 504 C LYS A 28 24.907 6.331 -1.157 1.00 0.00 C ATOM 505 O LYS A 28 23.963 6.534 -1.920 1.00 0.00 O ATOM 506 CB LYS A 28 24.521 3.873 -0.901 1.00 0.00 C ATOM 507 CG LYS A 28 25.115 2.631 -0.261 1.00 0.00 C ATOM 508 CD LYS A 28 24.197 2.062 0.809 1.00 0.00 C ATOM 509 CE LYS A 28 23.243 1.027 0.233 1.00 0.00 C ATOM 510 NZ LYS A 28 23.927 -0.267 -0.039 1.00 0.00 N ATOM 0 H LYS A 28 22.946 5.396 0.613 1.00 0.00 H new ATOM 0 HA LYS A 28 25.867 5.067 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.436 3.771 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.867 3.941 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.295 1.876 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.082 2.874 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.795 1.607 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.626 2.870 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.421 0.864 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.807 1.409 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.220 -0.989 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.591 -0.149 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.449 -0.569 0.808 1.00 0.00 H new ATOM 524 N TYR A 29 25.998 7.090 -1.138 1.00 0.00 N ATOM 525 CA TYR A 29 26.150 8.232 -2.032 1.00 0.00 C ATOM 526 C TYR A 29 27.058 7.886 -3.208 1.00 0.00 C ATOM 527 O TYR A 29 28.010 7.117 -3.069 1.00 0.00 O ATOM 528 CB TYR A 29 26.718 9.430 -1.270 1.00 0.00 C ATOM 529 CG TYR A 29 28.080 9.173 -0.665 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.230 9.239 -1.442 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.216 8.864 0.682 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.476 9.004 -0.895 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.459 8.629 1.239 1.00 0.00 C ATOM 534 CZ TYR A 29 30.586 8.701 0.446 1.00 0.00 C ATOM 535 OH TYR A 29 31.825 8.466 0.997 1.00 0.00 O ATOM 0 H TYR A 29 26.789 6.935 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 29 25.165 8.491 -2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.785 10.282 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.024 9.708 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.148 9.478 -2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.336 8.806 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.359 9.057 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.548 8.390 2.289 1.00 0.00 H new ATOM 0 HH TYR A 29 31.726 8.268 1.952 1.00 0.00 H new ATOM 545 N THR A 30 26.757 8.461 -4.369 1.00 0.00 N ATOM 546 CA THR A 30 27.544 8.215 -5.570 1.00 0.00 C ATOM 547 C THR A 30 28.429 9.411 -5.903 1.00 0.00 C ATOM 548 O THR A 30 27.953 10.544 -5.980 1.00 0.00 O ATOM 549 CB THR A 30 26.642 7.906 -6.780 1.00 0.00 C ATOM 550 OG1 THR A 30 25.912 6.696 -6.549 1.00 0.00 O ATOM 551 CG2 THR A 30 27.467 7.772 -8.051 1.00 0.00 C ATOM 0 H THR A 30 25.973 9.100 -4.502 1.00 0.00 H new ATOM 0 HA THR A 30 28.172 7.348 -5.363 1.00 0.00 H new ATOM 0 HB THR A 30 25.944 8.734 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.339 6.507 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.808 7.554 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.999 8.705 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.186 6.961 -7.934 1.00 0.00 H new ATOM 559 N ASP A 31 29.717 9.152 -6.100 1.00 0.00 N ATOM 560 CA ASP A 31 30.668 10.208 -6.427 1.00 0.00 C ATOM 561 C ASP A 31 30.795 10.376 -7.938 1.00 0.00 C ATOM 562 O ASP A 31 30.846 9.394 -8.679 1.00 0.00 O ATOM 563 CB ASP A 31 32.036 9.897 -5.819 1.00 0.00 C ATOM 564 CG ASP A 31 33.144 10.734 -6.428 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.046 11.978 -6.376 1.00 0.00 O ATOM 566 OD2 ASP A 31 34.110 10.145 -6.957 1.00 0.00 O ATOM 0 H ASP A 31 30.127 8.220 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 31 30.296 11.142 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.001 10.073 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.262 8.840 -5.962 1.00 0.00 H new ATOM 571 N ILE A 32 30.845 11.626 -8.387 1.00 0.00 N ATOM 572 CA ILE A 32 30.966 11.922 -9.809 1.00 0.00 C ATOM 573 C ILE A 32 32.160 12.830 -10.081 1.00 0.00 C ATOM 574 O ILE A 32 32.253 13.931 -9.537 1.00 0.00 O ATOM 575 CB ILE A 32 29.691 12.591 -10.355 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.462 11.739 -10.030 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.809 12.809 -11.856 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.412 10.434 -10.794 1.00 0.00 C ATOM 0 H ILE A 32 30.804 12.450 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 32 31.113 10.970 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 32 29.574 13.562 -9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.450 11.526 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.563 12.314 -10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.900 13.283 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.664 13.452 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.947 11.849 -12.353 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.515 9.882 -10.514 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.392 10.640 -11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.293 9.839 -10.555 1.00 0.00 H new ATOM 590 N ASP A 33 33.070 12.362 -10.928 1.00 0.00 N ATOM 591 CA ASP A 33 34.258 13.134 -11.276 1.00 0.00 C ATOM 592 C ASP A 33 33.874 14.471 -11.902 1.00 0.00 C ATOM 593 O ASP A 33 32.906 14.558 -12.657 1.00 0.00 O ATOM 594 CB ASP A 33 35.143 12.341 -12.240 1.00 0.00 C ATOM 595 CG ASP A 33 35.985 11.300 -11.529 1.00 0.00 C ATOM 596 OD1 ASP A 33 35.802 11.123 -10.306 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.828 10.662 -12.195 1.00 0.00 O ATOM 0 H ASP A 33 33.008 11.453 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 33 34.815 13.329 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.516 11.850 -12.984 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.797 13.028 -12.777 1.00 0.00 H new ATOM 602 N ALA A 34 34.639 15.510 -11.583 1.00 0.00 N ATOM 603 CA ALA A 34 34.379 16.842 -12.114 1.00 0.00 C ATOM 604 C ALA A 34 34.513 16.862 -13.633 1.00 0.00 C ATOM 605 O ALA A 34 34.042 17.788 -14.294 1.00 0.00 O ATOM 606 CB ALA A 34 35.324 17.854 -11.485 1.00 0.00 C ATOM 0 H ALA A 34 35.444 15.455 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 34 33.354 17.114 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.119 18.845 -11.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.177 17.867 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.354 17.577 -11.708 1.00 0.00 H new ATOM 612 N SER A 35 35.158 15.837 -14.180 1.00 0.00 N ATOM 613 CA SER A 35 35.357 15.740 -15.621 1.00 0.00 C ATOM 614 C SER A 35 34.043 15.950 -16.367 1.00 0.00 C ATOM 615 O SER A 35 33.182 15.070 -16.394 1.00 0.00 O ATOM 616 CB SER A 35 35.950 14.377 -15.984 1.00 0.00 C ATOM 617 OG SER A 35 37.355 14.368 -15.801 1.00 0.00 O ATOM 0 H SER A 35 35.552 15.062 -13.647 1.00 0.00 H new ATOM 0 HA SER A 35 36.053 16.523 -15.920 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.495 13.603 -15.367 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.713 14.138 -17.021 1.00 0.00 H new ATOM 0 HG SER A 35 37.710 13.486 -16.038 1.00 0.00 H new ATOM 623 N THR A 36 33.895 17.125 -16.972 1.00 0.00 N ATOM 624 CA THR A 36 32.686 17.454 -17.717 1.00 0.00 C ATOM 625 C THR A 36 32.363 16.375 -18.744 1.00 0.00 C ATOM 626 O THR A 36 31.204 16.176 -19.107 1.00 0.00 O ATOM 627 CB THR A 36 32.821 18.808 -18.437 1.00 0.00 C ATOM 628 OG1 THR A 36 34.034 18.840 -19.197 1.00 0.00 O ATOM 629 CG2 THR A 36 32.812 19.956 -17.439 1.00 0.00 C ATOM 0 H THR A 36 34.598 17.864 -16.960 1.00 0.00 H new ATOM 0 HA THR A 36 31.875 17.516 -16.992 1.00 0.00 H new ATOM 0 HB THR A 36 31.969 18.924 -19.107 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.111 19.704 -19.653 1.00 0.00 H new ATOM 0 HG21 THR A 36 32.909 20.902 -17.972 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.875 19.947 -16.883 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.646 19.843 -16.747 1.00 0.00 H new ATOM 637 N SER A 37 33.396 15.679 -19.210 1.00 0.00 N ATOM 638 CA SER A 37 33.222 14.622 -20.199 1.00 0.00 C ATOM 639 C SER A 37 32.119 13.657 -19.774 1.00 0.00 C ATOM 640 O SER A 37 31.421 13.086 -20.613 1.00 0.00 O ATOM 641 CB SER A 37 34.534 13.859 -20.397 1.00 0.00 C ATOM 642 OG SER A 37 35.605 14.748 -20.662 1.00 0.00 O ATOM 0 H SER A 37 34.362 15.829 -18.918 1.00 0.00 H new ATOM 0 HA SER A 37 32.933 15.085 -21.143 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.756 13.273 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.428 13.155 -21.223 1.00 0.00 H new ATOM 0 HG SER A 37 36.432 14.237 -20.783 1.00 0.00 H new ATOM 648 N LEU A 38 31.969 13.479 -18.466 1.00 0.00 N ATOM 649 CA LEU A 38 30.951 12.584 -17.928 1.00 0.00 C ATOM 650 C LEU A 38 30.006 13.333 -16.993 1.00 0.00 C ATOM 651 O LEU A 38 28.816 13.025 -16.920 1.00 0.00 O ATOM 652 CB LEU A 38 31.609 11.421 -17.182 1.00 0.00 C ATOM 653 CG LEU A 38 32.125 10.273 -18.051 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.012 9.345 -17.236 1.00 0.00 C ATOM 655 CD2 LEU A 38 30.963 9.504 -18.662 1.00 0.00 C ATOM 0 H LEU A 38 32.539 13.943 -17.759 1.00 0.00 H new ATOM 0 HA LEU A 38 30.371 12.191 -18.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.443 11.814 -16.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.888 11.017 -16.471 1.00 0.00 H new ATOM 0 HG LEU A 38 32.722 10.694 -18.860 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.370 8.534 -17.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.863 9.904 -16.847 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.440 8.931 -16.406 1.00 0.00 H new ATOM 0 HD21 LEU A 38 31.348 8.691 -19.277 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.340 9.094 -17.867 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.367 10.176 -19.280 1.00 0.00 H new ATOM 667 N ARG A 39 30.544 14.318 -16.281 1.00 0.00 N ATOM 668 CA ARG A 39 29.749 15.111 -15.352 1.00 0.00 C ATOM 669 C ARG A 39 28.671 15.897 -16.092 1.00 0.00 C ATOM 670 O ARG A 39 27.514 15.927 -15.673 1.00 0.00 O ATOM 671 CB ARG A 39 30.647 16.070 -14.569 1.00 0.00 C ATOM 672 CG ARG A 39 29.949 16.738 -13.395 1.00 0.00 C ATOM 673 CD ARG A 39 30.400 18.181 -13.227 1.00 0.00 C ATOM 674 NE ARG A 39 30.018 19.010 -14.366 1.00 0.00 N ATOM 675 CZ ARG A 39 28.810 19.543 -14.516 1.00 0.00 C ATOM 676 NH1 ARG A 39 27.872 19.333 -13.602 1.00 0.00 N ATOM 677 NH2 ARG A 39 28.539 20.287 -15.580 1.00 0.00 N ATOM 0 H ARG A 39 31.527 14.586 -16.330 1.00 0.00 H new ATOM 0 HA ARG A 39 29.263 14.428 -14.655 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.515 15.523 -14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.019 16.840 -15.245 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.870 16.708 -13.547 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.158 16.182 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.965 18.593 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.483 18.210 -13.104 1.00 0.00 H new ATOM 0 HE ARG A 39 30.717 19.190 -15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 39 28.077 18.762 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 39 26.945 19.743 -13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.258 20.451 -16.284 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.611 20.695 -15.694 1.00 0.00 H new ATOM 691 N GLN A 40 29.060 16.532 -17.193 1.00 0.00 N ATOM 692 CA GLN A 40 28.126 17.319 -17.991 1.00 0.00 C ATOM 693 C GLN A 40 26.962 16.459 -18.472 1.00 0.00 C ATOM 694 O GLN A 40 25.813 16.899 -18.475 1.00 0.00 O ATOM 695 CB GLN A 40 28.845 17.942 -19.188 1.00 0.00 C ATOM 696 CG GLN A 40 28.093 19.108 -19.810 1.00 0.00 C ATOM 697 CD GLN A 40 26.880 18.664 -20.603 1.00 0.00 C ATOM 698 OE1 GLN A 40 26.945 17.706 -21.374 1.00 0.00 O ATOM 699 NE2 GLN A 40 25.764 19.359 -20.417 1.00 0.00 N ATOM 0 H GLN A 40 30.014 16.517 -17.553 1.00 0.00 H new ATOM 0 HA GLN A 40 27.729 18.115 -17.361 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.831 18.283 -18.872 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.001 17.175 -19.947 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.777 19.793 -19.023 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.766 19.662 -20.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 25.755 20.146 -19.768 1.00 0.00 H new ATOM 0 HE22 GLN A 40 24.915 19.106 -20.923 1.00 0.00 H new ATOM 708 N GLU A 41 27.269 15.231 -18.880 1.00 0.00 N ATOM 709 CA GLU A 41 26.247 14.311 -19.365 1.00 0.00 C ATOM 710 C GLU A 41 25.313 13.890 -18.235 1.00 0.00 C ATOM 711 O GLU A 41 24.091 13.914 -18.384 1.00 0.00 O ATOM 712 CB GLU A 41 26.898 13.075 -19.990 1.00 0.00 C ATOM 713 CG GLU A 41 28.116 13.392 -20.841 1.00 0.00 C ATOM 714 CD GLU A 41 28.463 12.274 -21.804 1.00 0.00 C ATOM 715 OE1 GLU A 41 27.918 12.269 -22.928 1.00 0.00 O ATOM 716 OE2 GLU A 41 29.277 11.403 -21.434 1.00 0.00 O ATOM 0 H GLU A 41 28.216 14.851 -18.884 1.00 0.00 H new ATOM 0 HA GLU A 41 25.660 14.828 -20.124 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.189 12.388 -19.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.161 12.558 -20.604 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.933 14.307 -21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.969 13.583 -20.190 1.00 0.00 H new ATOM 723 N MET A 42 25.896 13.505 -17.105 1.00 0.00 N ATOM 724 CA MET A 42 25.116 13.080 -15.948 1.00 0.00 C ATOM 725 C MET A 42 24.229 14.214 -15.444 1.00 0.00 C ATOM 726 O MET A 42 23.021 14.042 -15.276 1.00 0.00 O ATOM 727 CB MET A 42 26.043 12.605 -14.827 1.00 0.00 C ATOM 728 CG MET A 42 26.812 11.340 -15.171 1.00 0.00 C ATOM 729 SD MET A 42 26.128 9.873 -14.376 1.00 0.00 S ATOM 730 CE MET A 42 27.622 9.074 -13.795 1.00 0.00 C ATOM 0 H MET A 42 26.906 13.478 -16.965 1.00 0.00 H new ATOM 0 HA MET A 42 24.477 12.252 -16.256 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.752 13.399 -14.592 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.452 12.428 -13.928 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.806 11.199 -16.252 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.853 11.459 -14.871 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.466 8.704 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.868 8.240 -14.452 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.443 9.791 -13.797 1.00 0.00 H new ATOM 740 N VAL A 43 24.835 15.372 -15.205 1.00 0.00 N ATOM 741 CA VAL A 43 24.100 16.534 -14.721 1.00 0.00 C ATOM 742 C VAL A 43 23.042 16.973 -15.727 1.00 0.00 C ATOM 743 O VAL A 43 21.973 17.450 -15.348 1.00 0.00 O ATOM 744 CB VAL A 43 25.044 17.717 -14.436 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.570 18.306 -15.737 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.334 18.779 -13.610 1.00 0.00 C ATOM 0 H VAL A 43 25.834 15.531 -15.339 1.00 0.00 H new ATOM 0 HA VAL A 43 23.613 16.236 -13.792 1.00 0.00 H new ATOM 0 HB VAL A 43 25.894 17.350 -13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.235 19.141 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.118 17.541 -16.287 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.734 18.659 -16.341 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.016 19.607 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.465 19.144 -14.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.012 18.348 -12.662 1.00 0.00 H new ATOM 756 N GLN A 44 23.348 16.808 -17.010 1.00 0.00 N ATOM 757 CA GLN A 44 22.423 17.188 -18.070 1.00 0.00 C ATOM 758 C GLN A 44 21.155 16.342 -18.015 1.00 0.00 C ATOM 759 O GLN A 44 20.044 16.872 -18.011 1.00 0.00 O ATOM 760 CB GLN A 44 23.092 17.037 -19.438 1.00 0.00 C ATOM 761 CG GLN A 44 22.118 16.713 -20.559 1.00 0.00 C ATOM 762 CD GLN A 44 22.607 17.189 -21.913 1.00 0.00 C ATOM 763 OE1 GLN A 44 23.022 16.390 -22.752 1.00 0.00 O ATOM 764 NE2 GLN A 44 22.561 18.498 -22.132 1.00 0.00 N ATOM 0 H GLN A 44 24.229 16.414 -17.340 1.00 0.00 H new ATOM 0 HA GLN A 44 22.148 18.232 -17.921 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.617 17.961 -19.680 1.00 0.00 H new ATOM 0 HB3 GLN A 44 23.843 16.249 -19.381 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.955 15.636 -20.594 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.154 17.174 -20.342 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.209 19.124 -21.408 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.877 18.877 -23.024 1.00 0.00 H new ATOM 773 N ARG A 45 21.329 15.025 -17.974 1.00 0.00 N ATOM 774 CA ARG A 45 20.199 14.106 -17.920 1.00 0.00 C ATOM 775 C ARG A 45 19.629 14.027 -16.507 1.00 0.00 C ATOM 776 O ARG A 45 18.558 13.460 -16.290 1.00 0.00 O ATOM 777 CB ARG A 45 20.624 12.713 -18.389 1.00 0.00 C ATOM 778 CG ARG A 45 19.457 11.814 -18.763 1.00 0.00 C ATOM 779 CD ARG A 45 19.119 11.926 -20.242 1.00 0.00 C ATOM 780 NE ARG A 45 18.174 13.007 -20.507 1.00 0.00 N ATOM 781 CZ ARG A 45 17.866 13.431 -21.727 1.00 0.00 C ATOM 782 NH1 ARG A 45 18.425 12.868 -22.789 1.00 0.00 N ATOM 783 NH2 ARG A 45 16.996 14.421 -21.887 1.00 0.00 N ATOM 0 H ARG A 45 22.242 14.571 -17.977 1.00 0.00 H new ATOM 0 HA ARG A 45 19.423 14.485 -18.585 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.284 12.815 -19.250 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.202 12.234 -17.599 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.701 10.779 -18.522 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.584 12.082 -18.168 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.033 12.096 -20.811 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.698 10.983 -20.590 1.00 0.00 H new ATOM 0 HE ARG A 45 17.726 13.461 -19.711 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.094 12.107 -22.670 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.186 13.196 -23.725 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.564 14.857 -21.072 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.760 14.746 -22.825 1.00 0.00 H new ATOM 797 N ALA A 46 20.352 14.598 -15.550 1.00 0.00 N ATOM 798 CA ALA A 46 19.918 14.594 -14.159 1.00 0.00 C ATOM 799 C ALA A 46 18.899 15.698 -13.898 1.00 0.00 C ATOM 800 O ALA A 46 17.907 15.489 -13.201 1.00 0.00 O ATOM 801 CB ALA A 46 21.115 14.747 -13.232 1.00 0.00 C ATOM 0 H ALA A 46 21.242 15.070 -15.713 1.00 0.00 H new ATOM 0 HA ALA A 46 19.437 13.637 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.776 14.742 -12.196 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.807 13.920 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.621 15.689 -13.444 1.00 0.00 H new ATOM 807 N ASN A 47 19.152 16.875 -14.462 1.00 0.00 N ATOM 808 CA ASN A 47 18.256 18.013 -14.289 1.00 0.00 C ATOM 809 C ASN A 47 17.925 18.654 -15.633 1.00 0.00 C ATOM 810 O ASN A 47 16.794 19.076 -15.870 1.00 0.00 O ATOM 811 CB ASN A 47 18.890 19.050 -13.359 1.00 0.00 C ATOM 812 CG ASN A 47 20.309 19.399 -13.764 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.271 18.814 -13.266 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.446 20.359 -14.672 1.00 0.00 N ATOM 0 H ASN A 47 19.969 17.065 -15.042 1.00 0.00 H new ATOM 0 HA ASN A 47 17.330 17.651 -13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.282 19.955 -13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 47 18.890 18.667 -12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.377 20.638 -14.983 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.621 20.817 -15.058 1.00 0.00 H new ATOM 821 N GLY A 48 18.921 18.723 -16.511 1.00 0.00 N ATOM 822 CA GLY A 48 18.716 19.313 -17.821 1.00 0.00 C ATOM 823 C GLY A 48 20.002 19.839 -18.428 1.00 0.00 C ATOM 824 O GLY A 48 20.297 19.578 -19.595 1.00 0.00 O ATOM 0 H GLY A 48 19.866 18.381 -16.338 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.281 18.568 -18.488 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.996 20.127 -17.741 1.00 0.00 H new ATOM 828 N ARG A 49 20.767 20.582 -17.636 1.00 0.00 N ATOM 829 CA ARG A 49 22.027 21.148 -18.104 1.00 0.00 C ATOM 830 C ARG A 49 22.811 21.759 -16.946 1.00 0.00 C ATOM 831 O ARG A 49 22.253 22.045 -15.888 1.00 0.00 O ATOM 832 CB ARG A 49 21.767 22.210 -19.175 1.00 0.00 C ATOM 833 CG ARG A 49 21.300 23.542 -18.611 1.00 0.00 C ATOM 834 CD ARG A 49 20.780 24.458 -19.708 1.00 0.00 C ATOM 835 NE ARG A 49 21.814 24.781 -20.687 1.00 0.00 N ATOM 836 CZ ARG A 49 21.553 25.240 -21.907 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.299 25.429 -22.293 1.00 0.00 N ATOM 838 NH2 ARG A 49 22.548 25.510 -22.741 1.00 0.00 N ATOM 0 H ARG A 49 20.537 20.806 -16.668 1.00 0.00 H new ATOM 0 HA ARG A 49 22.620 20.343 -18.537 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.681 22.368 -19.748 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.016 21.836 -19.871 1.00 0.00 H new ATOM 0 HG2 ARG A 49 20.515 23.372 -17.875 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.125 24.028 -18.090 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.940 23.979 -20.212 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.402 25.378 -19.263 1.00 0.00 H new ATOM 0 HE ARG A 49 22.789 24.647 -20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.532 25.222 -21.653 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.101 25.781 -23.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.514 25.365 -22.446 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.348 25.862 -23.677 1.00 0.00 H new ATOM 852 N ASN A 50 24.109 21.957 -17.156 1.00 0.00 N ATOM 853 CA ASN A 50 24.970 22.533 -16.130 1.00 0.00 C ATOM 854 C ASN A 50 26.386 22.737 -16.660 1.00 0.00 C ATOM 855 O ASN A 50 26.806 22.078 -17.612 1.00 0.00 O ATOM 856 CB ASN A 50 25.001 21.630 -14.895 1.00 0.00 C ATOM 857 CG ASN A 50 25.139 22.418 -13.607 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.858 23.416 -13.551 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.450 21.971 -12.563 1.00 0.00 N ATOM 0 H ASN A 50 24.587 21.727 -18.027 1.00 0.00 H new ATOM 0 HA ASN A 50 24.562 23.505 -15.852 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.087 21.037 -14.859 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.832 20.930 -14.981 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.504 22.459 -11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.867 21.139 -12.655 1.00 0.00 H new ATOM 866 N THR A 51 27.119 23.653 -16.036 1.00 0.00 N ATOM 867 CA THR A 51 28.488 23.945 -16.444 1.00 0.00 C ATOM 868 C THR A 51 29.392 24.145 -15.233 1.00 0.00 C ATOM 869 O THR A 51 30.484 24.701 -15.347 1.00 0.00 O ATOM 870 CB THR A 51 28.554 25.202 -17.333 1.00 0.00 C ATOM 871 OG1 THR A 51 28.447 26.379 -16.525 1.00 0.00 O ATOM 872 CG2 THR A 51 27.441 25.190 -18.370 1.00 0.00 C ATOM 0 H THR A 51 26.788 24.206 -15.246 1.00 0.00 H new ATOM 0 HA THR A 51 28.837 23.086 -17.017 1.00 0.00 H new ATOM 0 HB THR A 51 29.513 25.204 -17.852 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.244 26.463 -15.961 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.508 26.087 -18.986 1.00 0.00 H new ATOM 0 HG22 THR A 51 27.542 24.308 -19.002 1.00 0.00 H new ATOM 0 HG23 THR A 51 26.475 25.167 -17.866 1.00 0.00 H new ATOM 880 N PHE A 52 28.931 23.687 -14.074 1.00 0.00 N ATOM 881 CA PHE A 52 29.699 23.815 -12.841 1.00 0.00 C ATOM 882 C PHE A 52 29.364 22.685 -11.872 1.00 0.00 C ATOM 883 O PHE A 52 28.270 22.121 -11.890 1.00 0.00 O ATOM 884 CB PHE A 52 29.421 25.167 -12.181 1.00 0.00 C ATOM 885 CG PHE A 52 30.108 26.318 -12.860 1.00 0.00 C ATOM 886 CD1 PHE A 52 29.487 27.002 -13.892 1.00 0.00 C ATOM 887 CD2 PHE A 52 31.375 26.716 -12.465 1.00 0.00 C ATOM 888 CE1 PHE A 52 30.117 28.060 -14.519 1.00 0.00 C ATOM 889 CE2 PHE A 52 32.010 27.774 -13.088 1.00 0.00 C ATOM 890 CZ PHE A 52 31.380 28.448 -14.115 1.00 0.00 C ATOM 0 H PHE A 52 28.029 23.224 -13.963 1.00 0.00 H new ATOM 0 HA PHE A 52 30.758 23.752 -13.093 1.00 0.00 H new ATOM 0 HB2 PHE A 52 28.346 25.347 -12.178 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.741 25.127 -11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 52 28.499 26.705 -14.210 1.00 0.00 H new ATOM 0 HD2 PHE A 52 31.872 26.194 -11.661 1.00 0.00 H new ATOM 0 HE1 PHE A 52 29.623 28.583 -15.324 1.00 0.00 H new ATOM 0 HE2 PHE A 52 32.998 28.073 -12.772 1.00 0.00 H new ATOM 0 HZ PHE A 52 31.873 29.277 -14.601 1.00 0.00 H new ATOM 900 N PRO A 53 30.329 22.345 -11.005 1.00 0.00 N ATOM 901 CA PRO A 53 30.162 21.280 -10.011 1.00 0.00 C ATOM 902 C PRO A 53 29.174 21.662 -8.914 1.00 0.00 C ATOM 903 O PRO A 53 28.971 22.842 -8.633 1.00 0.00 O ATOM 904 CB PRO A 53 31.568 21.113 -9.431 1.00 0.00 C ATOM 905 CG PRO A 53 32.226 22.432 -9.645 1.00 0.00 C ATOM 906 CD PRO A 53 31.658 22.975 -10.927 1.00 0.00 C ATOM 0 HA PRO A 53 29.758 20.369 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.531 20.856 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.111 20.313 -9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 53 32.026 23.107 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.308 22.322 -9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.587 24.062 -10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 53 32.278 22.713 -11.784 1.00 0.00 H new ATOM 914 N GLN A 54 28.564 20.655 -8.297 1.00 0.00 N ATOM 915 CA GLN A 54 27.597 20.886 -7.230 1.00 0.00 C ATOM 916 C GLN A 54 27.148 19.568 -6.607 1.00 0.00 C ATOM 917 O GLN A 54 27.577 18.494 -7.029 1.00 0.00 O ATOM 918 CB GLN A 54 26.385 21.649 -7.768 1.00 0.00 C ATOM 919 CG GLN A 54 25.501 20.818 -8.684 1.00 0.00 C ATOM 920 CD GLN A 54 24.296 20.242 -7.966 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.608 20.942 -7.224 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.034 18.958 -8.185 1.00 0.00 N ATOM 0 H GLN A 54 28.722 19.672 -8.517 1.00 0.00 H new ATOM 0 HA GLN A 54 28.081 21.485 -6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.789 22.007 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.731 22.529 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.163 21.436 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.088 20.005 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.631 18.415 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.236 18.516 -7.730 1.00 0.00 H new ATOM 931 N ILE A 55 26.285 19.659 -5.602 1.00 0.00 N ATOM 932 CA ILE A 55 25.778 18.474 -4.922 1.00 0.00 C ATOM 933 C ILE A 55 24.370 18.128 -5.396 1.00 0.00 C ATOM 934 O ILE A 55 23.509 19.000 -5.505 1.00 0.00 O ATOM 935 CB ILE A 55 25.760 18.666 -3.394 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.176 18.921 -2.874 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.152 17.448 -2.714 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.591 20.375 -2.938 1.00 0.00 C ATOM 0 H ILE A 55 25.922 20.541 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 55 26.454 17.655 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 55 25.144 19.534 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.242 18.578 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.880 18.325 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.146 17.599 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.130 17.307 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.743 16.564 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.605 20.481 -2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.557 20.718 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.910 20.975 -2.335 1.00 0.00 H new ATOM 950 N PHE A 56 24.143 16.848 -5.674 1.00 0.00 N ATOM 951 CA PHE A 56 22.839 16.386 -6.135 1.00 0.00 C ATOM 952 C PHE A 56 22.145 15.555 -5.060 1.00 0.00 C ATOM 953 O PHE A 56 22.772 14.724 -4.401 1.00 0.00 O ATOM 954 CB PHE A 56 22.991 15.560 -7.414 1.00 0.00 C ATOM 955 CG PHE A 56 22.081 16.002 -8.524 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.736 15.668 -8.510 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.569 16.753 -9.582 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.897 16.073 -9.531 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.734 17.161 -10.605 1.00 0.00 C ATOM 960 CZ PHE A 56 20.396 16.821 -10.579 1.00 0.00 C ATOM 0 H PHE A 56 24.845 16.113 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 56 22.225 17.261 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.024 15.621 -7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.792 14.513 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.339 15.085 -7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.615 17.023 -9.607 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.851 15.804 -9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.128 17.745 -11.424 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.741 17.139 -11.377 1.00 0.00 H new ATOM 970 N ILE A 57 20.848 15.787 -4.887 1.00 0.00 N ATOM 971 CA ILE A 57 20.068 15.060 -3.893 1.00 0.00 C ATOM 972 C ILE A 57 18.619 14.900 -4.341 1.00 0.00 C ATOM 973 O ILE A 57 17.966 15.869 -4.723 1.00 0.00 O ATOM 974 CB ILE A 57 20.096 15.771 -2.527 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.481 17.167 -2.641 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.522 15.855 -2.003 1.00 0.00 C ATOM 977 CD1 ILE A 57 18.163 17.308 -1.913 1.00 0.00 C ATOM 0 H ILE A 57 20.315 16.473 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 57 20.525 14.076 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 57 19.503 15.191 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.185 17.899 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.332 17.405 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.526 16.360 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.927 14.850 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.136 16.416 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.786 18.323 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.443 16.600 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.309 17.102 -0.853 1.00 0.00 H new ATOM 989 N GLY A 58 18.122 13.667 -4.289 1.00 0.00 N ATOM 990 CA GLY A 58 16.753 13.402 -4.690 1.00 0.00 C ATOM 991 C GLY A 58 16.393 14.072 -6.001 1.00 0.00 C ATOM 992 O GLY A 58 15.439 14.847 -6.069 1.00 0.00 O ATOM 0 H GLY A 58 18.643 12.848 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.607 12.326 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.075 13.749 -3.910 1.00 0.00 H new ATOM 996 N ASP A 59 17.159 13.775 -7.045 1.00 0.00 N ATOM 997 CA ASP A 59 16.916 14.355 -8.361 1.00 0.00 C ATOM 998 C ASP A 59 16.753 15.868 -8.266 1.00 0.00 C ATOM 999 O ASP A 59 15.981 16.468 -9.015 1.00 0.00 O ATOM 1000 CB ASP A 59 15.670 13.733 -8.994 1.00 0.00 C ATOM 1001 CG ASP A 59 15.837 12.252 -9.269 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.591 11.903 -10.202 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.215 11.442 -8.551 1.00 0.00 O ATOM 0 H ASP A 59 17.953 13.136 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 59 17.779 14.140 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.817 13.882 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.444 14.249 -9.927 1.00 0.00 H new ATOM 1008 N TYR A 60 17.484 16.480 -7.341 1.00 0.00 N ATOM 1009 CA TYR A 60 17.418 17.923 -7.146 1.00 0.00 C ATOM 1010 C TYR A 60 18.801 18.498 -6.858 1.00 0.00 C ATOM 1011 O TYR A 60 19.394 18.227 -5.812 1.00 0.00 O ATOM 1012 CB TYR A 60 16.464 18.261 -5.999 1.00 0.00 C ATOM 1013 CG TYR A 60 16.609 19.676 -5.487 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.154 20.756 -6.232 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.202 19.933 -4.256 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.286 22.051 -5.768 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.336 21.224 -3.784 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.877 22.279 -4.544 1.00 0.00 C ATOM 1019 OH TYR A 60 17.009 23.567 -4.077 1.00 0.00 O ATOM 0 H TYR A 60 18.129 15.999 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 60 17.043 18.371 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.438 18.108 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.637 17.567 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.689 20.581 -7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.564 19.109 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.928 22.880 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.798 21.406 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 60 17.445 23.554 -3.199 1.00 0.00 H new ATOM 1029 N HIS A 61 19.311 19.294 -7.792 1.00 0.00 N ATOM 1030 CA HIS A 61 20.625 19.910 -7.639 1.00 0.00 C ATOM 1031 C HIS A 61 20.579 21.041 -6.617 1.00 0.00 C ATOM 1032 O HIS A 61 19.802 21.986 -6.756 1.00 0.00 O ATOM 1033 CB HIS A 61 21.122 20.441 -8.984 1.00 0.00 C ATOM 1034 CG HIS A 61 20.112 21.278 -9.708 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.167 20.747 -10.560 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.902 22.615 -9.701 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.420 21.722 -11.047 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.845 22.865 -10.542 1.00 0.00 N ATOM 0 H HIS A 61 18.835 19.528 -8.663 1.00 0.00 H new ATOM 0 HA HIS A 61 21.317 19.148 -7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.023 21.033 -8.821 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.404 19.599 -9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.461 23.348 -9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.601 21.604 -11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.452 23.785 -10.743 1.00 0.00 H new ATOM 1046 N VAL A 62 21.416 20.938 -5.589 1.00 0.00 N ATOM 1047 CA VAL A 62 21.471 21.952 -4.543 1.00 0.00 C ATOM 1048 C VAL A 62 22.426 23.078 -4.920 1.00 0.00 C ATOM 1049 O VAL A 62 21.999 24.172 -5.289 1.00 0.00 O ATOM 1050 CB VAL A 62 21.913 21.347 -3.198 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.102 22.440 -2.157 1.00 0.00 C ATOM 1052 CG2 VAL A 62 20.904 20.314 -2.721 1.00 0.00 C ATOM 0 H VAL A 62 22.065 20.162 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 62 20.463 22.354 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 62 22.870 20.846 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.414 21.993 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 62 22.866 23.139 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.162 22.972 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.233 19.897 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 62 19.931 20.788 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 62 20.824 19.516 -3.459 1.00 0.00 H new ATOM 1062 N GLY A 63 23.724 22.803 -4.826 1.00 0.00 N ATOM 1063 CA GLY A 63 24.720 23.804 -5.161 1.00 0.00 C ATOM 1064 C GLY A 63 26.042 23.563 -4.459 1.00 0.00 C ATOM 1065 O GLY A 63 26.798 22.667 -4.834 1.00 0.00 O ATOM 0 H GLY A 63 24.103 21.905 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.880 23.807 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.344 24.791 -4.892 1.00 0.00 H new ATOM 1069 N GLY A 64 26.324 24.366 -3.438 1.00 0.00 N ATOM 1070 CA GLY A 64 27.565 24.221 -2.699 1.00 0.00 C ATOM 1071 C GLY A 64 27.466 23.184 -1.598 1.00 0.00 C ATOM 1072 O GLY A 64 26.368 22.793 -1.201 1.00 0.00 O ATOM 0 H GLY A 64 25.715 25.115 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.363 23.941 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.840 25.182 -2.265 1.00 0.00 H new ATOM 1076 N CYS A 65 28.615 22.735 -1.106 1.00 0.00 N ATOM 1077 CA CYS A 65 28.654 21.735 -0.045 1.00 0.00 C ATOM 1078 C CYS A 65 27.984 22.258 1.221 1.00 0.00 C ATOM 1079 O CYS A 65 27.065 21.634 1.752 1.00 0.00 O ATOM 1080 CB CYS A 65 30.100 21.336 0.256 1.00 0.00 C ATOM 1081 SG CYS A 65 30.293 19.629 0.817 1.00 0.00 S ATOM 0 H CYS A 65 29.532 23.048 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 65 28.106 20.857 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.700 21.482 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.499 22.005 1.018 1.00 0.00 H new ATOM 0 HG CYS A 65 31.477 19.472 1.330 1.00 0.00 H new ATOM 1087 N ASP A 66 28.450 23.406 1.700 1.00 0.00 N ATOM 1088 CA ASP A 66 27.896 24.014 2.904 1.00 0.00 C ATOM 1089 C ASP A 66 26.389 24.209 2.771 1.00 0.00 C ATOM 1090 O ASP A 66 25.667 24.242 3.767 1.00 0.00 O ATOM 1091 CB ASP A 66 28.574 25.356 3.182 1.00 0.00 C ATOM 1092 CG ASP A 66 28.192 25.929 4.532 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.577 25.333 5.560 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.507 26.973 4.562 1.00 0.00 O ATOM 0 H ASP A 66 29.211 23.935 1.273 1.00 0.00 H new ATOM 0 HA ASP A 66 28.084 23.341 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.656 25.229 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.303 26.065 2.400 1.00 0.00 H new ATOM 1099 N ASP A 67 25.922 24.338 1.534 1.00 0.00 N ATOM 1100 CA ASP A 67 24.501 24.529 1.270 1.00 0.00 C ATOM 1101 C ASP A 67 23.670 23.450 1.956 1.00 0.00 C ATOM 1102 O ASP A 67 22.760 23.749 2.730 1.00 0.00 O ATOM 1103 CB ASP A 67 24.234 24.516 -0.236 1.00 0.00 C ATOM 1104 CG ASP A 67 23.050 25.380 -0.622 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.232 25.699 0.268 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.941 25.739 -1.813 1.00 0.00 O ATOM 0 H ASP A 67 26.507 24.314 0.699 1.00 0.00 H new ATOM 0 HA ASP A 67 24.209 25.498 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.122 24.866 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.054 23.491 -0.561 1.00 0.00 H new ATOM 1111 N LEU A 68 23.988 22.193 1.667 1.00 0.00 N ATOM 1112 CA LEU A 68 23.271 21.067 2.256 1.00 0.00 C ATOM 1113 C LEU A 68 23.305 21.136 3.779 1.00 0.00 C ATOM 1114 O LEU A 68 22.335 20.779 4.449 1.00 0.00 O ATOM 1115 CB LEU A 68 23.877 19.746 1.780 1.00 0.00 C ATOM 1116 CG LEU A 68 25.152 19.296 2.495 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.812 18.448 3.710 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.055 18.527 1.541 1.00 0.00 C ATOM 0 H LEU A 68 24.738 21.928 1.028 1.00 0.00 H new ATOM 0 HA LEU A 68 22.232 21.120 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.126 18.964 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.092 19.831 0.715 1.00 0.00 H new ATOM 0 HG LEU A 68 25.687 20.183 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.732 18.137 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.206 19.032 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.254 17.566 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.957 18.215 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.528 17.648 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.327 19.167 0.702 1.00 0.00 H new ATOM 1130 N TYR A 69 24.426 21.600 4.320 1.00 0.00 N ATOM 1131 CA TYR A 69 24.587 21.716 5.765 1.00 0.00 C ATOM 1132 C TYR A 69 23.672 22.799 6.329 1.00 0.00 C ATOM 1133 O TYR A 69 22.906 22.556 7.261 1.00 0.00 O ATOM 1134 CB TYR A 69 26.043 22.029 6.113 1.00 0.00 C ATOM 1135 CG TYR A 69 26.717 20.946 6.924 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.034 19.719 6.354 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.040 21.150 8.261 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.650 18.727 7.092 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.657 20.164 9.005 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.960 18.954 8.417 1.00 0.00 C ATOM 1141 OH TYR A 69 28.574 17.968 9.154 1.00 0.00 O ATOM 0 H TYR A 69 25.237 21.902 3.780 1.00 0.00 H new ATOM 0 HA TYR A 69 24.311 20.762 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.603 22.183 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.082 22.965 6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.795 19.538 5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.804 22.096 8.726 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.888 17.778 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.901 20.340 10.042 1.00 0.00 H new ATOM 0 HH TYR A 69 28.724 18.288 10.068 1.00 0.00 H new ATOM 1151 N ALA A 70 23.759 23.995 5.756 1.00 0.00 N ATOM 1152 CA ALA A 70 22.938 25.115 6.200 1.00 0.00 C ATOM 1153 C ALA A 70 21.460 24.743 6.208 1.00 0.00 C ATOM 1154 O ALA A 70 20.767 24.931 7.209 1.00 0.00 O ATOM 1155 CB ALA A 70 23.175 26.327 5.310 1.00 0.00 C ATOM 0 H ALA A 70 24.389 24.213 4.984 1.00 0.00 H new ATOM 0 HA ALA A 70 23.228 25.365 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.556 27.156 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.225 26.614 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.914 26.080 4.281 1.00 0.00 H new ATOM 1161 N LEU A 71 20.981 24.216 5.087 1.00 0.00 N ATOM 1162 CA LEU A 71 19.583 23.818 4.964 1.00 0.00 C ATOM 1163 C LEU A 71 19.224 22.761 6.005 1.00 0.00 C ATOM 1164 O LEU A 71 18.218 22.881 6.703 1.00 0.00 O ATOM 1165 CB LEU A 71 19.306 23.280 3.559 1.00 0.00 C ATOM 1166 CG LEU A 71 19.582 24.245 2.405 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.937 23.477 1.141 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.380 25.146 2.164 1.00 0.00 C ATOM 0 H LEU A 71 21.540 24.054 4.250 1.00 0.00 H new ATOM 0 HA LEU A 71 18.964 24.698 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.909 22.384 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.261 22.974 3.508 1.00 0.00 H new ATOM 0 HG LEU A 71 20.432 24.872 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.130 24.180 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.828 22.875 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.108 22.825 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.594 25.826 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.512 24.536 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.171 25.723 3.065 1.00 0.00 H new ATOM 1180 N GLU A 72 20.056 21.729 6.104 1.00 0.00 N ATOM 1181 CA GLU A 72 19.826 20.653 7.061 1.00 0.00 C ATOM 1182 C GLU A 72 19.726 21.201 8.482 1.00 0.00 C ATOM 1183 O GLU A 72 18.994 20.667 9.314 1.00 0.00 O ATOM 1184 CB GLU A 72 20.952 19.620 6.980 1.00 0.00 C ATOM 1185 CG GLU A 72 20.887 18.562 8.068 1.00 0.00 C ATOM 1186 CD GLU A 72 22.076 17.622 8.041 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.107 17.950 8.666 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.977 16.559 7.394 1.00 0.00 O ATOM 0 H GLU A 72 20.894 21.615 5.534 1.00 0.00 H new ATOM 0 HA GLU A 72 18.881 20.172 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.915 19.131 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.911 20.135 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.837 19.050 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.970 17.985 7.953 1.00 0.00 H new ATOM 1195 N ASN A 73 20.468 22.270 8.751 1.00 0.00 N ATOM 1196 CA ASN A 73 20.464 22.890 10.071 1.00 0.00 C ATOM 1197 C ASN A 73 19.323 23.895 10.196 1.00 0.00 C ATOM 1198 O ASN A 73 18.889 24.226 11.300 1.00 0.00 O ATOM 1199 CB ASN A 73 21.801 23.585 10.335 1.00 0.00 C ATOM 1200 CG ASN A 73 21.979 23.962 11.794 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.268 23.112 12.636 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.805 25.243 12.099 1.00 0.00 N ATOM 0 H ASN A 73 21.079 22.725 8.073 1.00 0.00 H new ATOM 0 HA ASN A 73 20.317 22.105 10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.615 22.928 10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.869 24.482 9.720 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.910 25.556 13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.566 25.913 11.368 1.00 0.00 H new ATOM 1209 N LYS A 74 18.839 24.378 9.057 1.00 0.00 N ATOM 1210 CA LYS A 74 17.747 25.344 9.036 1.00 0.00 C ATOM 1211 C LYS A 74 16.402 24.648 9.220 1.00 0.00 C ATOM 1212 O LYS A 74 15.422 25.269 9.628 1.00 0.00 O ATOM 1213 CB LYS A 74 17.754 26.125 7.720 1.00 0.00 C ATOM 1214 CG LYS A 74 18.350 27.517 7.842 1.00 0.00 C ATOM 1215 CD LYS A 74 19.817 27.463 8.235 1.00 0.00 C ATOM 1216 CE LYS A 74 20.301 28.802 8.768 1.00 0.00 C ATOM 1217 NZ LYS A 74 20.632 29.750 7.668 1.00 0.00 N ATOM 0 H LYS A 74 19.187 24.116 8.135 1.00 0.00 H new ATOM 0 HA LYS A 74 17.893 26.038 9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.317 25.562 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.732 26.208 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.246 28.043 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.794 28.088 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.963 26.694 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.416 27.176 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.532 29.239 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.181 28.648 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.958 30.651 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.384 29.345 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.785 29.917 7.087 1.00 0.00 H new ATOM 1231 N GLY A 75 16.364 23.354 8.916 1.00 0.00 N ATOM 1232 CA GLY A 75 15.134 22.596 9.056 1.00 0.00 C ATOM 1233 C GLY A 75 14.850 21.726 7.848 1.00 0.00 C ATOM 1234 O GLY A 75 13.861 20.993 7.820 1.00 0.00 O ATOM 0 H GLY A 75 17.162 22.818 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.196 21.969 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.302 23.284 9.209 1.00 0.00 H new ATOM 1238 N LYS A 76 15.717 21.807 6.844 1.00 0.00 N ATOM 1239 CA LYS A 76 15.555 21.022 5.626 1.00 0.00 C ATOM 1240 C LYS A 76 16.169 19.635 5.787 1.00 0.00 C ATOM 1241 O LYS A 76 16.248 18.865 4.829 1.00 0.00 O ATOM 1242 CB LYS A 76 16.200 21.743 4.441 1.00 0.00 C ATOM 1243 CG LYS A 76 15.198 22.254 3.421 1.00 0.00 C ATOM 1244 CD LYS A 76 14.350 23.380 3.989 1.00 0.00 C ATOM 1245 CE LYS A 76 13.890 24.336 2.899 1.00 0.00 C ATOM 1246 NZ LYS A 76 15.029 25.083 2.299 1.00 0.00 N ATOM 0 H LYS A 76 16.540 22.409 6.850 1.00 0.00 H new ATOM 0 HA LYS A 76 14.488 20.907 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.787 22.583 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.894 21.063 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.726 22.606 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.552 21.436 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.482 22.962 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.924 23.928 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.372 23.776 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.172 25.042 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.705 26.022 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.783 25.193 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.396 24.557 1.480 1.00 0.00 H new ATOM 1260 N LEU A 77 16.601 19.322 7.004 1.00 0.00 N ATOM 1261 CA LEU A 77 17.207 18.026 7.291 1.00 0.00 C ATOM 1262 C LEU A 77 16.295 16.888 6.845 1.00 0.00 C ATOM 1263 O LEU A 77 16.752 15.907 6.258 1.00 0.00 O ATOM 1264 CB LEU A 77 17.505 17.900 8.786 1.00 0.00 C ATOM 1265 CG LEU A 77 17.756 16.484 9.303 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.788 16.499 10.421 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.457 15.853 9.782 1.00 0.00 C ATOM 0 H LEU A 77 16.543 19.948 7.808 1.00 0.00 H new ATOM 0 HA LEU A 77 18.141 17.958 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.380 18.509 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.668 18.324 9.340 1.00 0.00 H new ATOM 0 HG LEU A 77 18.148 15.882 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.954 15.482 10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.725 16.910 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.425 17.116 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.655 14.845 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.036 16.454 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.748 15.807 8.955 1.00 0.00 H new ATOM 1279 N ASP A 78 15.004 17.027 7.125 1.00 0.00 N ATOM 1280 CA ASP A 78 14.026 16.012 6.750 1.00 0.00 C ATOM 1281 C ASP A 78 14.119 15.692 5.261 1.00 0.00 C ATOM 1282 O ASP A 78 14.192 14.528 4.870 1.00 0.00 O ATOM 1283 CB ASP A 78 12.613 16.482 7.096 1.00 0.00 C ATOM 1284 CG ASP A 78 12.458 16.819 8.566 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.837 15.980 9.410 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.959 17.921 8.873 1.00 0.00 O ATOM 0 H ASP A 78 14.610 17.833 7.611 1.00 0.00 H new ATOM 0 HA ASP A 78 14.246 15.105 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.369 17.360 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.899 15.704 6.827 1.00 0.00 H new ATOM 1291 N SER A 79 14.114 16.734 4.436 1.00 0.00 N ATOM 1292 CA SER A 79 14.193 16.564 2.990 1.00 0.00 C ATOM 1293 C SER A 79 15.511 15.909 2.591 1.00 0.00 C ATOM 1294 O SER A 79 15.530 14.922 1.853 1.00 0.00 O ATOM 1295 CB SER A 79 14.049 17.916 2.287 1.00 0.00 C ATOM 1296 OG SER A 79 14.007 17.757 0.880 1.00 0.00 O ATOM 0 H SER A 79 14.056 17.705 4.744 1.00 0.00 H new ATOM 0 HA SER A 79 13.375 15.913 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.140 18.411 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.884 18.561 2.558 1.00 0.00 H new ATOM 0 HG SER A 79 13.913 18.635 0.454 1.00 0.00 H new ATOM 1302 N LEU A 80 16.613 16.464 3.083 1.00 0.00 N ATOM 1303 CA LEU A 80 17.938 15.935 2.779 1.00 0.00 C ATOM 1304 C LEU A 80 18.030 14.456 3.141 1.00 0.00 C ATOM 1305 O LEU A 80 18.498 13.639 2.347 1.00 0.00 O ATOM 1306 CB LEU A 80 19.010 16.724 3.533 1.00 0.00 C ATOM 1307 CG LEU A 80 19.592 17.934 2.802 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.471 17.486 1.644 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.478 18.844 2.306 1.00 0.00 C ATOM 0 H LEU A 80 16.615 17.280 3.694 1.00 0.00 H new ATOM 0 HA LEU A 80 18.106 16.039 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.585 17.065 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.827 16.045 3.778 1.00 0.00 H new ATOM 0 HG LEU A 80 20.208 18.496 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.876 18.361 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.290 16.875 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.877 16.901 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.911 19.700 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.835 18.292 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.889 19.193 3.154 1.00 0.00 H new ATOM 1321 N LEU A 81 17.579 14.118 4.344 1.00 0.00 N ATOM 1322 CA LEU A 81 17.608 12.736 4.811 1.00 0.00 C ATOM 1323 C LEU A 81 16.734 11.846 3.933 1.00 0.00 C ATOM 1324 O LEU A 81 17.091 10.705 3.641 1.00 0.00 O ATOM 1325 CB LEU A 81 17.137 12.659 6.264 1.00 0.00 C ATOM 1326 CG LEU A 81 18.187 12.227 7.288 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.873 13.442 7.894 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.552 11.373 8.376 1.00 0.00 C ATOM 0 H LEU A 81 17.189 14.781 5.014 1.00 0.00 H new ATOM 0 HA LEU A 81 18.636 12.378 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.757 13.639 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.299 11.964 6.317 1.00 0.00 H new ATOM 0 HG LEU A 81 18.940 11.627 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.617 13.115 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.362 14.014 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.132 14.068 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.314 11.075 9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.778 11.948 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.108 10.484 7.928 1.00 0.00 H new ATOM 1340 N GLN A 82 15.589 12.377 3.515 1.00 0.00 N ATOM 1341 CA GLN A 82 14.666 11.630 2.669 1.00 0.00 C ATOM 1342 C GLN A 82 15.207 11.507 1.249 1.00 0.00 C ATOM 1343 O GLN A 82 14.842 10.591 0.512 1.00 0.00 O ATOM 1344 CB GLN A 82 13.296 12.310 2.649 1.00 0.00 C ATOM 1345 CG GLN A 82 12.342 11.727 1.619 1.00 0.00 C ATOM 1346 CD GLN A 82 10.991 12.414 1.620 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.009 11.877 2.133 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.934 13.610 1.044 1.00 0.00 N ATOM 0 H GLN A 82 15.279 13.320 3.748 1.00 0.00 H new ATOM 0 HA GLN A 82 14.560 10.628 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.844 12.228 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.430 13.373 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.788 11.812 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.205 10.664 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.773 14.018 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.051 14.120 1.015 1.00 0.00 H new ATOM 1357 N ASP A 83 16.078 12.436 0.870 1.00 0.00 N ATOM 1358 CA ASP A 83 16.670 12.431 -0.462 1.00 0.00 C ATOM 1359 C ASP A 83 17.877 11.500 -0.517 1.00 0.00 C ATOM 1360 O ASP A 83 18.173 10.911 -1.557 1.00 0.00 O ATOM 1361 CB ASP A 83 17.084 13.848 -0.864 1.00 0.00 C ATOM 1362 CG ASP A 83 15.905 14.691 -1.308 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.853 14.641 -0.638 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.035 15.403 -2.326 1.00 0.00 O ATOM 0 H ASP A 83 16.390 13.202 1.467 1.00 0.00 H new ATOM 0 HA ASP A 83 15.921 12.066 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.576 14.333 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.814 13.795 -1.672 1.00 0.00 H new ATOM 1369 N VAL A 84 18.572 11.373 0.609 1.00 0.00 N ATOM 1370 CA VAL A 84 19.747 10.514 0.689 1.00 0.00 C ATOM 1371 C VAL A 84 19.362 9.089 1.070 1.00 0.00 C ATOM 1372 O VAL A 84 20.075 8.136 0.755 1.00 0.00 O ATOM 1373 CB VAL A 84 20.766 11.050 1.713 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.208 12.457 1.340 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.176 11.022 3.115 1.00 0.00 C ATOM 0 H VAL A 84 18.341 11.854 1.478 1.00 0.00 H new ATOM 0 HA VAL A 84 20.204 10.511 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 84 21.644 10.404 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.927 12.819 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.672 12.443 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.342 13.118 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.909 11.404 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.282 11.645 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.914 9.997 3.379 1.00 0.00 H new ATOM 1385 N HIS A 85 18.228 8.951 1.751 1.00 0.00 N ATOM 1386 CA HIS A 85 17.746 7.641 2.175 1.00 0.00 C ATOM 1387 C HIS A 85 16.769 7.065 1.154 1.00 0.00 C ATOM 1388 O HIS A 85 15.935 7.785 0.604 1.00 0.00 O ATOM 1389 CB HIS A 85 17.072 7.741 3.544 1.00 0.00 C ATOM 1390 CG HIS A 85 16.651 6.417 4.102 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.831 6.291 5.203 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.940 5.156 3.704 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.635 5.010 5.459 1.00 0.00 C ATOM 1394 NE2 HIS A 85 16.297 4.300 4.563 1.00 0.00 N ATOM 0 H HIS A 85 17.627 9.729 2.021 1.00 0.00 H new ATOM 0 HA HIS A 85 18.603 6.972 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.758 8.219 4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 85 16.198 8.387 3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.561 4.875 2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.036 4.611 6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.326 3.281 4.517 1.00 0.00 H new